: TiAl6V4 alloy is widely used in selective laser melting and direct laser melting. In turn, works devoted to the issue of how the track stacking scheme affects the value of mechanical properties is not enough. The influence of the Ti6Al4V alloy track trajectories on the microstructure and mechanical properties during direct laser deposition is studied in this article for the first time. The results were obtained on the influence of «parallel» and «perpendicular» technique of laying tracks in direct laser synthesis. All studied samples have a microstructure typical of the hardened two-phase condition titanium. It is shown that the method of laying tracks and the direction of load application during compression testing relative to the location of the tracks leads to a change in the ultimate strength of the Ti-6Al-4V alloy from 1794 to 1910 MPa. The plasticity of the Ti-6Al-4V alloy obtained by direct laser alloying can vary from 21.3 to 33.0% depending on the direction of laying the tracks and the direction of the compression test. The hardness of alloys varies in the range from 409 to 511 HV and depends on the method of laying the tracks and the direction of hardness measurements.

Polyhydroxyalkanoate (PHA) co-polymers show relatively higher in vivo degradation rate compared to other PHAs thus they received a great deal of attention for a wide range of medical applications. Nanoparticles (NPs) loaded with poorly water soluble anticancer drug docetaxel (DCX) were produced using poly 3-hydroxybutyrate-co-4-hydroxybutyrate, P(3HB-co-4HB), co-polymers biosynthesised from Cupriavidus sp. USMAA1020 isolated from Malaysian environment. Three co-polymers with different molar proportions of 4-hydroxybutirate (4HB) were used: 16% (PHB16), 30% (PHB30) and 70% (PHB70) 4HB-containing P(3HB-co-4HB). Blank and DCX loaded nanoparticles were then characterized for their size and size distribution, surface charge, encapsulation efficiency and drug release. Pre-formulation studies showed that an optimised formulation could be achieved through the emulsification/solvent evaporation method using PHB70 with the addition of 1.0% PVA, as stabilizer and 0.03% VitE-TPGS, as surfactant. DCX-loaded PHB70 nanoparticles (DCX-PHB70) gave the desired particle size distribution in term of average particles sizes around 150 nm and narrow particle size distribution (PDI below 0.100). The encapsulation efficiencies result showed that at 30% w/w drug-to-polymer ratio: DCX- PHB16 NPs were able to encapsulate up to 42% of DCX; DCX-PHB30 NPs encapsulated up to 46% of DCX and DCX-PHB70 NPs encapsulated up to 50% of DCX within the nanoparticles system. Approximately 60% of DCX was released from the DCX-PHB70 NPs within 7 days for 5%, 10% and 20% of drug to polymer ratio while for the 30% and 40% drug to polymer ratios, an almost complete drug release (98%) after 7 days of incubation was observed.

Light trapping in single nanowires (NWs) are of vital importance for photovoltaic applications. However, circular NWs (CNWs) can limit its light-trapping ability due to high geometrical symmetry. In this work, we present a detailed study of light trapping in single NWs with an elliptical cross-section (ENWs). We demonstrate that the ENWs exhibit significantly enhanced light trapping compared with the CNWs, which can be ascribed to the symmetry-broken structure that can orthogonalize the direction of light illumination and the leaky mode resonances (LMRs). That is, the elliptical cross-section can simultaneously increase the light path length by increasing the vertical axis and reshape the LMR modes by decreasing the horizontal axis. We found that the light absorption can be engineered via tuning the horizontal and vertical axes, the photocurrent is significantly enhanced by 374.0% (150.3%, 74.1%) or 146.1% (61.0%, 35.3%) in comparison with that of the CNWs with the same diameter as the horizontal axis of 100 (200, 400) nm or the vertical axis of 1000 nm, respectively. This work advances our understanding of how to improve light trapping based on the symmetry breaking from the CNWs to ENWs and provides a rational way for designing high-efficiency single or self-assembled NW photovoltaic devices.

Cationised hemp cellulose was prepared by etherification with two quaternary ammonium salts: 3-chloro-2-hydroxypropyl trimethyl ammonium chloride (CHPTAC) and glycidyltrimethylammonium chloride (GTMAC) and examined for (i) the efficiency of Cr(VI) removal under acid mine-drainage (AMD) conditions, and (ii) antibacterial activity. Adsorbents were characterised by electron microscopy, Fourier transform infrared (FTIR), CP-MAS ¹³C nuclear magnetic resonance (NMR) spectroscopy, elemental composition and surface charge. FTIR and solid state ¹³C NMR confirmed the introduction of quaternary ammonium moieties on cellulose. ¹³C NMR also showed that cationisation decreased the degree of crystallisation and lateral dimensions of cellulose fibrils. Nevertheless, 47 % - 72% of Cr(VI) ions were removed from solutions at pH 4, by 0.1 g of CHPTAC and GTMAC-cationised cellulose, respectively. Adsorption kinetics followed the pseudo-second order model and isotherms were best described by the Freundlich and Dubinin-Radushkevich models. When GTMAC-modified cellulose was applied to AMD contaminated water (pH 2.7), however, Cr(VI) uptake removal decreased to 22% likely due to competition from Al and Fe ions. Nevertheless, cationised materials displayed considerable antibacterial effects, reducing the viability of Escherichia coli by up to 45 % after just 3 hours of exposure. Together, these results suggest that cationised cellulose can be applied in the treatment of Cr(VI)-contaminated mine water particularly if pre-treatments to reduce Fe and Al concentrations are applied.

Fabrics treated to repel water, superhydrophobic, and water and oil, superamphiphobic, have numerous industrial and consumer-level benefits. These coatings are typically non-permanent. This is largely due to chemical or physical changes of the coating to prolonged exposure to relatively harsh environments. To develop more durable fabric treatments for specific applications, it is necessary to measure the extent to which the treated fabrics retain their low-wettability after being subjected to controlled aggressive environmental conditions. In this study, plain weave fabrics made from polyester filaments and coated with silicone nanofilaments in-solution were exposed to aerodynamic icing conditions. The coated fabrics showed superhydrophobic behavior, or superamphiphobic for those that were fluorinated. The wettability of the fabrics was progressively evaluated by contact angle and roll-off-angle measurements. The fabrics were able to maintain their low-wettability characteristics after exposure to water droplet clouds at airspeeds up to 120 m/s, despite damage to the silicone nanofilaments, visible through scanning electron microscopy.

Together with display and input, storage and processing are requisite to computing. While storage technologies have improved tremendously in capacity and speed over the years, the basic principles enabling information storage into digital 1 and 0 remains the same: induction of phase change in the storage substrate. But recently, there has been much research into structural phase change material (SPCM) and exploration of its possible use in various types of memory storage applications. Despite unconventional use of structural change between amorphous and crystalline state as well as that between crystal structures for encoding information, key barriers for its widespread use remains access speed, capacity to cost ratio, and fidelity of storage. Hence, given the performance requirement of SPCM for memory applications, what are the material and design considerations that feed into translating a promising application into a practical reality? Given the important role of kinetic and thermal energy in structural organization of a phase change material, precise characterization of structural change in the material with external physical factors such as heat, voltage and current, is critical for storage material design. Next comes the precision at which individual memory cells for storing single bits of information could be defined reproducibly and at high fidelity using SPCM. In congruent with memory cell definition lies the equally important aspect of constraining the field characteristics used in modulating the phase state of the memory medium. Specifically, while heat is useful for mediating the “melting” of a crystalline material into its amorphous state, heat conduction is less useful for transferring the “switch command” from the effector to the memory material. More importantly, choice of structural phase change material for memory applications likely revolves around those where individual memory cells could be defined in a cross array format, which is amenable to high density information storage. Durability and fidelity of information storage are additional factors of design that favours selection of SPCM with phase change occurring at narrow operating windows without hysteresis over extended cycling. But, the most important requirement is speed of access. To this end, energetic cost of phase transitions might affect operation of the phase change memory at the system level: for example, usage of large current for high energy transition step may impact on device durability. Ultimately, there is a fundamental limit on the number of reproducible phase transitions in a SPCM before fidelity of information storage is no longer guaranteed. Hence, what are the drivers for uptake of phase change memories in consumer devices? Performance gains must be realized in access speed, storage capacity, form factor, and fidelity of information storage for practical application of structural phase change memories.

Nano Silicon carbide reinforced aluminum (Al/nanoSiC) metal matrix composites are attractive because of their superior properties such as high strength and stiffness, Application of aluminum in technological and structural application is growing steadily. The major limitation for metal matrix nano composites, however, is their propensity to brittle fracture. The new technologies and new materials are two basic aims for companies. In this research, the effect of addition Al/SiC nano particles on microstructure and mechanical properties of pure aluminum has been investigated. Pure aluminum powder and various fractions of SiC particles with an average diameter of 50 nm were milled by a high-energy planetary ball mill to produce nanocrystalline Al–SiC nanocomposite powders. Pressing and sintering applied to consolidate powders to tablet shape. Then the samples were rolled to cylindrical shape. The nano SiC Percentage were 0%, 2.5%, 5%, 7.5%, 10% , 12,5% and 15%. Mechanical tests such as tensile, hardness, fracture toughness and young’s modules measurement carried out to study the mechanical behavior of each alloy. Scanning electron microscopy was used to study the morphology and microstructure of nanocomposite powders and bulk samples. The role of wt% fraction of SiC nanoparticles was investigated. The results shows that the addition of SiC nano particles has significant influence on the microstructure and mechanical properties of composites and usually the optimum properties depends on wt% SiC.

The narrow process window during intercritical annealing and discontinuous yielding have limited the commercialisation of medium Mn steels. In this study, a double annealing process based on the commercial continuous annealing line is proposed. The cold-rolled medium Mn steels were first fully austenitized and quenched during the first annealing, followed by the intercritical annealing for reverted austenite transformation. The microstructure of duplex lath-shaped austenite and ferrite is produced and the steel exhibit a desirable continuous yielding during tensile deformation. Al is added into the medium Mn steel to enlarge the process window and to improve partitioning efficiency of Mn. The produced steel is more robust with temperature fluctuation during the industrial process due to the enlarged intercritical region. Mn partitioning is more efficient owing to elevated annealing temperature, which results in the improvement of ductility in the Al-added steel with increased austenite stability.

Here we report the effect of substrate, sonication process, and post-annealing on the structural, morphological, and optical properties of ZnO thin films grown in the presence of isopropyl alcohol (IPA) at temperature 30 – 65 ℃ by successive ionic layer adsorption and reaction (SILAR) method on both soda lime glass (SLG) and Cu foil. The X-ray diffraction (XRD) patterns confirmed the preferential growth (002) and (101) plane of wurtzite ZnO structure while grown on SLG and Cu foil substrate respectively. Both XRD and Raman spectra confirmed the ZnO and Cu-oxide phases of the deposited films. Scanning electron microscope (SEM) image of the deposited films shows compact and uniformly distributed grains for samples grown without sonication while using IPA at temperature 50 and 65 ℃. The post-annealing treatment improves the crystallinity of the films, further evident by XRD and transmission and reflection results. The estimated optical bandgaps are in the range of 3.37-3.48 eV for as-grown samples. Results revealed that high-quality ZnO thin films could be grown without sonication using IPA dispersant at 50 ℃, which is much lower than the reported results using the SILAR method. This study suggests that in the presence of IPA, the SLG substrate results in better c-axis oriented ZnO thin films than that of DI water, ethylene glycol, propylene glycol at the optimum temperature of 50 ℃. Air-annealing of the samples grown on Cu foils induced the formation of Cu_xO/ZnO junctions which is evident from the characteristic I-V curve including the structural and optical data.

The remarkable adsorption capacity of graphene derived materials has prompted their examination in composite materials suitable for deployment in treatment of contaminated waters. In this study, crosslinked calcium alginate – graphene oxide beads were prepared and activated by exposure to pH 4 by using 0.1M HCl. The activated beads were investigated as novel adsorbents for the removal of organic pollutants (Methylene Blue dye and the pharmaceuticals Famotidine and Diclofenac) with a range of physicochemical properties. Effects of initial pollutant concentration, temperature, pH and adsorbent dose were investigated and kinetic models were examined for fit to the data. Maximum adsorption capacities q_max obtained were 1334, 35.50 and 36.35 mg g^-1 for the uptake of Methylene blue, Famotidine and Diclofenac respectively. The equilibrium adsorption had an alignment with Langmuir isotherms while the kinetics were most accurately modelled using a pseudo- first –order and second order models according to the regression analysis. Thermodynamic parameters such as ΔG^◦, ΔH^◦ and ΔS^◦ were calculated and the adsorption process was determined to be exothermic and spontaneous.

Intranasal (i.n.) administration became an alternative strategy to bypass the blood-brain barrier and improve drug bioavailability in the brain. The main goal of this work was to preliminarily study the biodistribution of mixed amphiphilic mucoadhesive nanoparticles made of chitosan-g-poly(methyl methacrylate) and poly(vinyl alcohol)-g-poly(methyl methacrylate) and ionotropically crosslinked with sodium tripolyphosphate in the brain after intravenous (i.v.) and i.n. administration to Hsd:ICR mice. After i.v. administration, the highest nanoparticle accumulation was detected in the liver, among other peripheral organs. After i.n. administration of a 10-times smaller nanoparticle dose, the accumulation of the nanoparticles in off-target organs was much lower than after i.v. injection. In particular, the accumulation of the nanoparticles in the liver was 20 times lower than by i.v. When brains were analyzed separately, intravenously administered nanoparticles accumulated mainly in the “top” brain, reaching a maximum after 1h. Conversely, in i.n. administration, nanoparticles were detected in the “bottom” brain and the head (maximum reached after 2 h) owing to their retention in the nasal mucosa and could serve as a reservoir from which the drug is released and transported to the brain over time. Overall results indicate that i.n. nanoparticles reach similar brain bioavailability, though with a 10-fold smaller dose, and accumulate in off-target organs to a more limited extent and only after redistribution through the systemic circulation. At the same time, both administration routes seem to lead to differential accumulation in brain regions and thus, they could be beneficial in the treatment of different medical conditions.

In recent years, the dominant cementitious materials have been industrial by products such as fly ash. This present paper describes some of the cementitious products that are attracting attention in the global research community and the properties and characteristics of these materials that affect their performance such durability, mechanically properties and reduction of carbon dioxid (CO2). The present investigation deals with the chemical synthesis of cementitious material using fly ash of eggs shell rich in calcium(Ca) and sand dune(southern of Algeria) rich in silica(SiO2).The composition is the most compressive resistant with a maximum stress of 49.71 MPa, the most flexible (E = 2.63 GPa) and the most ductile (εr = 65.42 %).The characteristic properties of the chemically synthesized cementitious materials were analyzed by the chemical composition analysis XRF, XRD and SEM analyses.

The tribological performance of metalwork steel tools is of vital importance in both cold and hot working processes. One solution for improving metal tool life is the application of coatings. This paper investigates the effect of CrAlSiN thin-film PVD-deposition on the tribological behaviour of tool steel K340. The sliding wear performance of the coated K340 steel is analysed in relation to both the uncoated K340 steel and a range of tool steels dedicated to hot- and cold-working, such as X155CrVMo12-1, X37CrMoV5-1, X40CrMoV5-1, 40CrMnMo7 and 90MnCrV8. The investigated tool steels were heat-treated, while K340 was subjected to thermochemical treatment and then coated with a CrAlSiN hard film (K340/CrAlSiN). The hardness, chemical composition, phase structure and microstructure of steels K340 and K340/CrAlSiN are examined. Tribological tests were conducted using the ball-on-disc tester in compliance with the ASTM G99 standard. The tests were performed under dry unidirectional sliding conditions, using an Al2O3 ball as a counterbody. The wear factor and coefficient of friction are estimated and analysed with respect to hardness and alloying composition of the materials under study. SEM observations are made to identify the sliding wear mechanisms of the analysed tool steels and PVD-coated K340 steel. In contrast to the harsh abrasive-adhesive wear mechanism observed for uncoated tool steels, the abrasive wear dominates in case of the AlCrSiN. The deposited thin film effectively prevents the K304 substrate from harsh wear severe degradation. Moreover, thanks to the deposited coating, the K304/CrAlSiN sample has a COF of 0.529 and a wear factor of K=5.68×10−7 m3 N−1 m−1, while the COF of the reference tool steels ranges from 0.702 to 0.885 and their wear factor ranges from 1.68×10−5 m3 N−1 m−1 to 3.67×10−5 m3 N−1 m−1. The CrAlSiN deposition reduces the wear of the K340 steel and improves its sliding properties, which makes it a promising method for prolonging the service life of metalwork tools.

The light response and resistance switching behavior in BaTiO3 (BTO) films are studied for a symmetric Pt/BTO/Pt structure. The resistance of films as a function of time with and without ultraviolet light has been studied. Furthermore, resistance switching behavior was clearly observed based on the application of 365 nm wavelength ultraviolet light. Consequently, the polarities of resistance switching can be controlled by ultraviolet light when the energy is larger than the band excitation energy. It is proposed that the polarity of the resistance switching is dictated by the competition of the ferroelectricity and oxygen vacancy migration. This provides a new mechanism for modulating the state of ferroelectric resistive memory devices.

Damage and fibre misalignment of woven fabrics during discontinuous polymer processing remain challenging. To overcome these, a promising switchable elastomeric adherence gripper is introduced here. The inherent surface tackiness is utilized for picking and placing large sheets. Due to the elastomer’s viscoelastic material behavior, the surface properties depend on loading speed and temperature. Different peeling speeds result in different adherence strength of an interface between the gripper and the substrate. This feature is mechanically characterized and the viscoelastic behavior of the stamp is examined. Based on this experimental characterization, an empirical model is proposed. Furthermore, a discussion of the applicability and limitation of the elastomeric gripper is given.

Semisolid casting of Aluminum alloys is growing. For magnesium alloys, Thixomoulding became the dominant process around the world. For aluminium processing, the situation is different as semisolid processing of aluminium is more technically challenging than for magnesium. Today three processes are leading the process implementation, The GISS method, the RheoMetal process and the SEED process. These processes have all strengths and weaknesses and will fit a particular range of applications. The current paper aims at looking at the strengths and weaknesses of the processes to identify product types and niche applications for each process based on current applications and development directions taken for these processes

The size of TiO2 (either nanometric or micrometric) can significantly affect both its photocatalytic and photoelectrochemical properties, thus altering the photooxidation of organic pollutants in air or water. The purpose of this work is to give an account of the photoelectrochemical and photocatalytic features of some nano- and micro-sized TiO2 commercial powders towards a model reaction, the photooxidation of acetone. Cyclic voltammograms (CV) of TiO2 particulated electrodes under UV illumination experiments were carried out in either saturated O2 or N2 solutions for a direct correlation with the photocatalytic process. In addition, the effect of different reaction conditions on the photocatalytic efficiency under UV light in both aqueous and gaseous phases was also investigated. CV curves with the addition of acetone under UV light showed a negative shift of the photocurrent onset, confirming the efficient transfer of photoproduced reactive oxygen species (ROSs), e.g., hydroxyl radicals, or holes to acetone molecules. The photocatalytic experiments showed that the two nano-sized samples exhibit the best photocatalytic performance. The different photoactivity of the micro-sized samples is probably attributed to their morphological differences, affecting both the amount and distribution of free ROSs involved in the photooxidation reaction.

In this paper, the effect of multi-rotational speeds super-gravity field on the grain refinement and tensile properties of as-cast H13 steel were investigated systematically. The experimental results revealed that the as-cast grains of H13 steel can be significantly refined in multi-rotational speeds supergravity field. In conventional supergravity field, with the decrease of rotational radius, the secondary dendrite average spacing (SDAS) and the austenite grain average size (AGAS) increase, and the maximum values of SDAS and AGAS are 90 µm and 55 µm, respectively. while in multi-speeds supergravity fields, at the range of increasing rotational speeds, SDAS and AGAS decrease as the rotational radius decreases. In three-rotational speeds supergravity field, the maximum values of SDAS and AGAS are 80 µm and 50 µm. In five-rotational speeds supergravity field, the maximum values of SDAS and AGAS are reduced to 58 µm and 34 µm. Accordingly, both the tensile strength and the plasticity are enhanced with the increasing the number of rotational speeds in supergravity field, especially for the inner position of supergravity sample. The ultimate tensile strengths at outer, middle, and inner positions of H13 steel solidified in conventional supergravity field are 1445 MPa, 1378 MPa, and 1023 MPa, corresponding elongations of 2%, 1.5%, and 0.5%, while in the five-rotational speeds supergravity field, they are 1408 MPa, 1443 MPa, and 1453 MPa, corresponding elongations of 1.8%, 3.9%, and 2.2%. The mechanism for the grain refinement is that multi-speeds super-gravity can reduce the critical nucleation work of austenite, and the tangential force produced by changing the rotational speeds breaks dendrites at the solidification front, refining solidification structure.

Poly-ether-ether ketone (PEEK) is a great potential thermoplastic in industry and medical treatment and health. In this work, the PEEK/GO and PEEK/MoS2 composites were prepared by a novel hot isostatic pressing method. The addition of GO alters the tribological behaviours mechanism, fatigue wear mechanism is predominant to PEEK/GO composites. However, the combination of abrasive and adhesive wear mechanisms is observed for PEEK/MoS2 composites and PEEK. The reason is the hardness and tensile strength of composites are increased with the appropriate addition of GO. The response time to stable friction state of PEEK/GO and PEEK/MoS2 composites reduces in compared with PEEK, which conduce to shorten running-in time, reduce energy consumption and improve the tribological performances of composites. The addition of GO and MoS2 can effectively decrease the friction coefficient and wear rate, and the optimal content of GO and MoS2 was 0.7 wt.% and 15 wt.%, respectively. The results indicate that PEEK/GO and PEEK/MoS2 are impressive composites that possess super tribological properties.

The direct growth of single-walled carbon nanotubes (SWCNTs) with a narrow distribution of diameter or chirality remains elusive despite significant benefits in properties and applications. Nanoparticle catalysts are vital for SWCNT synthesis, but how to precisely manipulate their chemistry, size, concentration, and deposition remains difficult, especially within a continuous production process from the gas-phase. Here, we demonstrate the preparation of W₆Co₇ alloyed nanoparticle catalysts with precisely tunable stoichiometry using electrospray, which remain solid state during SWCNT growth. We also demonstrate continuous production of liquid iron nanoparticles with in-line size selection. With the precise size manipulation of catalysts in the range of 1-5 nm, and a nearly monodisperse distribution (σ_g < 1.2), an excellent size selection of SWCNT can be achieved. All of the presented techniques show great potential to facilitate the realization of single-chirality SWCNT production.

Fullerene molecules are composed of carbon in forms of a hollow sphere, ellipsoid, or tube. Fullerenes have attracted considerable attention in different fields of science since their discovery in 1985. The unique carbon cage structure of fullerene provides immense scope for derivatization, rendering potential for various industrial applications. The prospective applications of fullerenes thus have led to assorted fullerene derivatives. The unique chemical structure also provides ease for fullerene to be synthesized through various kinds of conjugating techniques, where fullerene can be located either on the backbone or the branch chain. Here in this review, we have compiled the toxicity and biosafety aspects of fullerene in aquatic organisms. The frequent use of fullerene is likely to come in contact and interact with the aquatic environment and aquatic organisms. According to the current understanding, waterborne exposure to fullerene-based nanomaterials indeed triggers toxicities at cellular, organic, molecular as well as neurobehavioral levels.

In this study one of the most innovative sintering techniques up to date was evaluated: Electro-Sinter-Forging (ESF). Despite it has been proved to be effective in densifying several different metallic materials and composites, bearing steels such as 100Cr6 have never been processed so far. Pre-alloyed Astaloy CrM powders have been ad-mixed with either graphite or graphene and then processed by ESF to produce a 100Cr6 equivalent composition. Porosity has been evaluated by optical microscopy and compared to that one of 100Cr6 commercial samples. Mechanical properties such as hardness and transverse rupture strength were tested on samples produced by employing different process parameters and then submitted to different treatments (machining, heat treatment). The experimental characterization highlighted that porosity is the factor mostly affecting mechanical resistance of the samples, correlating linearly to the transverse rupture strength. Hardness on the other side does not correlate to the mechanical resistance because process related cracking has a higher effect on the final properties. Promising results were obtained that give room to the sinterability by ESF of materials difficult to sinter by conventional press and sinter techniques.

This paper discusses recent developments in creep, over a wide range of temperature, that mqy change our understanding of creep. The five-power law creep exponent (3.5 to 7) has never been explained in fundamental terms. The best the scientific community has done is to develop a natural three power-law creep equation that falls short of rationalizing the higher stress exponents that are typically five. This inability has persisted for many decades. Computational work examining the stress-dependence of the climb rate of edge dislocations we may rationalize the phenomenological creep equations. Harper-Dorn creep, “discovered” over 60 years ago has been immersed in controversy. Some investigators have insisted that a stress exponent of one is reasonable. Others believe that the observation of a stress exponent of one is a consequence of dislocation network frustration. Others believe the stress exponent is artificial due to the inclusion of restoration mechanisms such as dynamic recrystallization or grain growth that is not of any consequence in the five power-law regime. Also, the experiments in the Harper-Dorn regime, which accumulate strain very slowly (sometimes over a year) may not have attained a true steady state. New theories suggest that absence or presence of Harper-Dorn may be a consequence of the initial dislocation density. Novel experimental work suggests that power-law breakdown may be a consequence of a supersaturation of vacancies which increase self-diffusion.

The electrical, mechanical and thermal conductivity of ethylene butene copolymer (EBC) composites with carbon fibers were studied. EBC/carbon-fiber composites can be utilized as an electro-mechanical material which is capable of changing it electric resistance with mechanical strain. Carbon fibers were introduced to EBC with different concentrations (5-25 wt%). The results showed that the addition of carbon fibers to EBC could increase the electric resistance up to 10 times. Increasing the load to 2.9 MPa could increase the electric resistance change by 4500% compared 25% fiber sample with pure EBC. It is also noted that the electric resistance of the EBC/CF composites underwent a dramatic increase with raising the strain, for example, the resistance change was around 13 times more at 15% strain in comparison to 5% of strain; The thermal conductivity tests showed that the addition of carbon fibers could increase the thermal conductivity by 40%, from 0.19 to 0.27 (Wm-1K-1). It was also observed that the addition of carbon fibers to EBC could increase the thermal conductivity.

Today is the era of nanoscience and nanotechnology, which finds applications in the field of medicine, electronics, or environmental cleanup. Even though the nanotechnology is in its emerging phase, but still it provides solutions to numerous challenges. Nanotechnology and nanoparticles are found very effective because of their unique chemical and physical properties, high surface area, but their high cost is one of the major hurdles in its wider application. So, the synthesis of nanomaterials especially 2D nanomaterials from the industrial, agricultural and other biological activities could provide a cost-effective technique. The nanomaterials synthesized from such waste not only minimizes the pollution but also provides an eco-friendly approach towards the utilization of the waste. In the present review work, the emphasis has been given on the types of nanomaterials, different methods for the synthesis of 2D nanomaterials from the waste generated from industries, agriculture and their application in electronics, medicine and catalysis.

Geopolymers are ecologically-friendly inorganic materials which can be produced at low temperatures from industrial wastes such as fly ash, blast furnace slags or mining residues. Although to date their principal applications have been as alternatives to Portland cement building materials, their properties make them suitable for a number of more advanced applications, including as photocatalytic nanocomposites for removal of hazardous pollutants from waste water or the atmosphere. For this purpose, they can be combined with photocatalytic moieties such as metal oxides with suitable bandgaps to couple with UV or visible radiation, or with carbon nanotubes or graphene. In these composites the geopolymers act as supports for the photoactive components, but geopolymers formed from wastes containing oxides such as Fe2O3 show intrinsic photoactive behaviour. This review discusses the structure and formation chemistry of geopolymers and the principles required for their utilisation as photocatalysts. The literature on existing photocatalytic geopolymers is reviewed, suggesting that these materials have a promising potential as inexpensive, efficient and ecologically-friendly candidates for the remediation of toxic environmental pollutants and would repay further development.

Cobalt ferrite nanoparticles (NPs) doped with rare earth (RE) metals with general formula CoFe_2-xRE_xO₄ (RE=Yb, Dy, Gd; x = 0.0 - 0.3) were synthesized by the co-precipitation method followed by post thermal treatment. The influence of RE doping on structural, magnetic and thermal properties and potential biomedical applications like magnetic hyperthermia has been investigated. In the as-prepared samples RE cations enter the spinel lattice as detected by X-ray diffraction. Thermal treatment leads to thermodynamically stable and relaxed single-phase spinel structures only for lower RE content, x = 0.01-0.05. However, annealed samples present higher mass magnetization values (M_S), up to 83 Am²/kg. RE content also affects M_S, especially in the case of annealed samples where it decreases linearly with x from about 80 Am²/kg (x = 0.01) to about 60 Am²/kg (x = 0.30). Thermal treatment induces a reduction in coercivity from 60-100 mT for as-prepared samples to 18-33 mT for annealed samples, in a nonlinear manner with respect to RE content. Heating efficiency, i.e., Specific Loss Power (SLP), of all samples has been studied using both magnetometric and calorimetric method to deeper examine the energy loss mechanisms involved.

The contact materials in high-voltage vacuum interrupter require properties such as high conductivity, high density, and high hardness to minimize arc heat damage. In this study, copper–molybdenum-chromium alloys contact materials are examined for a high voltage contact material. Ball milling process was carried out after analyzing the raw materials of copper, chromium, and molybdenum powders. A green compact was produced using a high press with the mixed powder. Afterwards, composite was produced by sintering method according to temperature and infiltration method according to Cu content in green compact. The composite of sintering method showed a density of 8.55 g/cm3 (relative density 93%) a hardness of 217 HV, and an electrical conductivity of 40.7 IACS% at 1200 °C. The composite of 10 wt.% Cu produced by the Cu infiltration method showed a density of 8.7 g/cm3 (relative density 94%), Hardness of 274HV and electrical conductivity of 39 IACS% at 1300 °C. The measurements of physical properties showed the new possibility of using the Cu–Cr–Mo alloy as a contact material for high-voltage vacuum interrupters.

The TiO₂ nanostructures resulted by pyrolysis of TiCl₄ at low temperature of 80 ^oC are found to be a mixture of amorphous TiO₂ complexes and anatase nanostructure whose ratio depends on the pH of the pyrolysis medium. At low pH level, the resulting TiO₂ nanostructure is predominant anatase and gradually shifts to the amorphous TiO₂ complexes with pH level increasing. By means of heat treatment, the amorphous TiO₂ complexes can be converted back to the anatase nanostructure and then transform to rutile with the elevating temperature. Amongst of the TiO₂ nanostructure recovered from amorphous TiO₂ complexes, the anatase shows to be the most effective photocatalyst in decomposition of methylene blue.

Two low-C steels microalloyed with Nb were fabricated by simulated strip casting, one with Mo and the other without Mo. Both alloys were coiled at 900 °C to investigate the effect of Mo on the precipitation behaviour in austenite in low-C strip-cast Nb steels. The mechanical properties results show that during the coiling at 900 °C the hardness of both alloys increases and reaches a peak after 3000 s and then decreased after 10,000 s. Additionally, the hardness of the Mo-containing alloy is higher than that of the Mo-free alloy in all coiling conditions. Thermo-Calc predictions suggest that MC-type carbides exist in equilibrium at 900 °C, which are confirmed by transmission electron microscopy (TEM). TEM examination shows that precipitates are formed after 1000 s of coiling in both alloys and the size of the particles is refined by the addition of Mo. Energy dispersive spectroscopy (EDS) and electron energy loss spectroscopy (EELS) reveal that the carbides are enriched in Nb and N. The presence of Mo is also observed in the particles in the Nb-Mo steel during coiling. The concentration of Mo in the precipitates decreases with increasing particle size and coiling time. The precipitates in the Nb-Mo steel provide significant strengthening increments of up to 140 MPa, much higher than that in the Nb steel, ~ 96 MPa. A thermodynamic rationale is given, which explains that the enrichment of Mo in the precipitates reduces the interfacial energy between precipitates and matrix. This is likely to lower the energy barrier for their nucleation and also reduce the coarsening rate, thus leading to finer precipitates during coiling at 900 °C.

In this study, the elastic properties of composite materials are investigated, considering the effects of separation of fiber-matrix joint boundary and matrix failure. In this method, by assuming periodic microstructure and using a linear approximation of the displacement field by applying continuity and equilibrium conditions, the composite fiber composite relation is determined. The effect of separation is assumed by introducing tangential and normal scalar parameters in the equations by assuming the displacement field jump at the common boundary. In order to express the effect of matrix micro-cracks, the fracture mechanics framework of continuous environments was used and the micro-cracks parallel to the fibers, perpendicular to the fibers and in the thickness direction with scalar parameters were expressed. At the end of the effect of these parameters the results are presented in graphs. The results show that the presence of defective joint at the joint boundary and the matrix micro-components reduce the hardness of the composite and thus it’s bearing load, which is more significant at the defective joint state.

Nisin is a 3.4 kDa antimicrobial peptide, produced by Lactococcus lactis (ATCC 11454). This bacteriocin can inhibit spores gemination and gram-positive bacteria development and has gained visibility in therapeutic use. The bacterial cellulose (CB) has been considered an ideal material and with high quality applied in food and medical-pharmaceutical inputs. Because of all this benefits, it is important to know the system proceeding of CB with nisin. Therefore, it was realize nisin release profile analysis of CBs was performed; analysis of the minimum inhibitory concentration (MIC) of nisin against Escherichia coli ATCC 25922, Pseudomonas aeuroginosa ATCC 9721 and Staphylococus aureus ATCC 10390; antimicrobial stability test, for 100 days at different temperatures of 4º, 25º and 37 ° C against microorganisms: S. aureus e L. sakei. The results show that nisin is released by the CB in 4 hours of contact with medium and the MIC of nisin is 78 µg/mL for S. aureus, doesn’t have gram-negative inhibition. It had stability until 100 days against L. sakei and 60 days for S. aureus. The system proved to be efficient and CB potentiated the antimicrobial action of nisin, acting as a selective barrier for other compounds present in the standard solution, serving as protection of the peptide at different temperatures. The CB loading system can be an ideal antimicrobial stability system for nisin.

The reaction kinetics of burnt lime (CaO) in contact with sea water has been elucidated and compared to its behaviour in fresh water. In the first minutes of contact between burnt lime and water, it "slaked" as CaO reacted with water to yield calcium hydroxide (Ca(OH)2). Subsequently, calcium hydroxide reacted with magnesium, sulphate and carbonate from the sea water to yield magnesium hydroxide (Mg(OH)2), calcium sulphate dihydrate (gypsum, CaSO4·2H2O) and calcium carbonate (CaCO3), respectively. In a closed system of 1% CaO in natural sea water (where the supply of sulphate, magnesium and carbonate is limited), more than 90% reacted within the first 5 hours. It is foreseen that in an open system, like a marine fjord, it will react even faster. The pH 8 of sea water close to the CaO particle surface will immediately increase to a theoretical value of about 12.5 but will, in an open system with large excess of sea water, rapidly fall back to pH 10.5 being equilibrium pH of magnesium hydroxide. This is further reduced to < 9 due to the common ion effect of dissolved magnesium in sea water and then be diluted to the sea water background pH, about 8. Field test dosing CaO particles to sea water showed that the pH of water between the particles stayed around 8.

Eco-friendly betanin/clay minerals hybrid materials with good stability were synthesized combining natural betanin molecules extracted from beetroot with 2:1 type palygorskite (Pal) and 1:1 type halloysite (Hal), respectively. It was found that the adsorption, grinding and heating treatment played a key role to enhance the interaction between betanin and clay minerals during preparation process, which favored improving the thermal stability and solvent resistance of natural betanin. The L* and a* values of the betanin/Pal and betanin/Hal hybrid materials were 64.94 and 14.96, 62.55 and 15.48, respectively, indicating that betanin/Hal exhibited the better color performance. The structural characterizations confirmed that betanin was mainly adsorbed on the outer surface of Pal or Hal through hydrogen-bond interaction, and part of them also were entered into the inner surface of Hal via electrostatic interaction. Therefore, Hal preferred to improve the color properties, heating stability and solvent resistance of natural betanin due to its structural features compared with Pal.

ZnS-CdS composite nano-powder doped with (0.01 mol %) Cobalt has been collected by a co-precipitation process at 300 K. The sample is characterized by structural, combined spectroscopic methods and magnetic studies. The prepared samples were belonging to cubic structure no impurity phases were observed. Doping of cobalt increase the neighborhood strain assessment and a decreases lattice constants decides from x-ray diffraction data. The crystallite size is 10.42nm. From UV-absorption and EPR studies revealed that the energy band gap of Co2+ doped ZnS-CdS composite nanopowder and extension of sp-d exchange interactions and common d-d transitions. The variation in the energy bandgap varies as a function of cobalt concentration is due to structural modification. Photoluminescence spectrum reveals the defect-related emissions and shows the formation of luminescence. FT-IR spectrum confirmed the feature vibrational manner of Zn, Cd, O–H and sulfide ions are in the host lattice. The doping-induced magnetic properties are studied by vibrating sample magnetometer which matches with the theoretical values besides ferromagnetic nature. Magnetic studies confirm the ferromagnetic nature of the material. Surface morphology and chemical homogeneity studies were carried out by using SEM with EDAX. Transmission electron microscope recommends the crystalline nature of nanoparticles, with average particle size is of the order of 20-100nm.

A series of novel superabsorbent composites of poly(acrylic acid)/semicoke were prepared by polymerization of acrylic acid using ammonium persulphate as initiator, N,N’-methylenebisacrylamide as crosslinker and semicoke which was the by-product of coal carbonizing as the inorganic components. FTIR and SEM analysis indicated that the superabsorbent composites had been successfully polymerized and the semicoke participated into the construction of 3D polymeric network. Meanwhile, the effects of initiator, crosslinker, semicoke, neutralization degree as well as the pH value were investigated, and the results showed that superabsorbent composites containing 10% of semicoke possessed the maximum water absorbency of 584 g/g in distilled water and 75 g/g in 0.9 % NaCl solution. The superabsorbent composites kept the high water absorbency within a wide pH range of 4-11, and still exhibited better re-swelling capability even after seven times. The superabsorbent composite with the excellent performance is a potential water-retaining agent used in the agriculture.

Herein, we present a combination of experimental and computational study on the mitochondrial F0F1-ATPase nanotoxicity inhibition induced by single-walled carbon nanotubes (SWCNT-pristine, SWCNT-COOH). To this end, the in vitro inhibition responses in submitochondrial particles (SMP) as F0F1-ATPase enzyme were strongly dependent on the concentration assay (from 3 to 5 µg/ml) for both types of carbon nanotubes. Besides, both SWCNTs show an interaction inhibition pattern like the oligomycin A (the specific mitochondria F0F1-ATPase inhibitor). Furthermore, the best crystallography binding pose obtained for the docking complexes based on the free energy of binding (FEB), fit well with the previous in vitro evidences from the thermodynamics point of view. Following an affinity order as: FEB (oligomycin A/F0-ATPase complex) = -9.8 kcal/mol > FEB (SWCNT-COOH/F0-ATPase complex) = - 6.8 kcal/mol ~ FEB (SWCNT-pristine complex) = -5.9 kcal/mol. With predominance of van der Waals hydrophobic nanointeractions with key F0-ATPase binding site residues (Phe 55 and Phe 64). By the other hand, results on elastic network models, and fractal-surface analysis suggest that SWCNTs induce significant perturbations by triggering abnormal allosteric responses and signals propagation in the inter-residue network which could affect the substrate recognition ligand geometrical specificity of the F0F1-ATPase enzyme in order (SWCNT-pristine > SWCNT-COOH). Besides, the performed Nano-QSTR models for both SWCNTs show that this method may be used for the prediction of the nanotoxicity induced by SWCNT. Overall, the obtained results may open new avenues toward to the better understanding and prediction of new nanotoxicity mechanisms, rational drug-design based nanotechnology, and potential biomedical application in precision nanomedicine.

Single nanowires (NWs) are of great importance for optoelectronic applications, especially solar cells serving as powering nanoscale devices. However, weak off-resonant absorption can limit its light-harvesting capability. Here, we propose a single NW coated with the graded-index dual shells (DSNW). We demonstrate that with appropriate thickness and refractive index of the inner shell, the DSNW exhibits significantly enhanced light trapping compared with the bare NW (BNW), and the NW only coated with the outer shell (OSNW) and the inner shell (ISNW), which can be attributed to the optimal off-resonant absorption mode profiles due to the improved coupling between the reemitted light of the transition modes of the leak mode resonances of the Si core and the nanofocusing light from the dual shells with the graded refractive index. We found that the light absorption can be engineered via tuning the thickness and the refractive index of the inner shell, the photocurrent density is significantly enhanced by 134% (56%, 12%) in comparison with that of the BNW (OSNW, ISNW). This work advances our understanding of how to improve off-resonant absorption by applying graded dual-shell design and provides a new choice for designing high-efficiency single NW photovoltaic devices.

This study identifies new Alkali Activated Composite Mud Mortar to alternate Cement Mortar used for laying masonry works. This study handles both experimental and numerical analysis of strength and durability for mortar, especially bond strength along mortar and brick joints have studied detail and compared with ANSYS. The bond strength has estimated through the triplet brick prism of shear behavior. The strength and deformation characteristics of masonry constituents obtained from these tests depend on the actual composite conduct of masonry. There is always a good reception for environmentally friendly, low energy, new construction materials, and used in preparing mortar/brick unit combinations all around the world. Also, this study fulfills those requirements. Especially, masonry laid with the mud mortar meets all. Fly Ash, Ground Granulated Blast furnace Slag, and Quarry Dust have utilized the new composites' preparation with 8Molority, 10Molority developed excellent strength. The composite specimens are having compression and bond strength, ranging from 4.84-5.14 and 0.12-0.18N/mm2. The mixed ratio of materials has taken (0.5 parts of Fly Ash, 0.5 parts of Steel Slag, 1.75 parts of Soil, and 0.25 parts of Quarry Dust). The samples tested resistance against acidic, sulfate, and alkalinity indicated PH values less than 7 and 9 simultaneously. Compression strength varied from 10-20% and gained more and fit composite used for mortar in masonry works.

In recent years, the photophysical properties of crystalline metal-organic frameworks (MOFs) have become increasingly relevant for their potential application in light-emitting devices, photovoltaics, nonlinear optics and sensing. The availability of high-quality experimental data for such systems makes them ideally suited for a validation of quantum mechanical simulations, aiming at an in-depth atomistic understanding of photophysical phenomena. Here we present a computational DFT study of the absorption and emission characteristics of a Zn-based surface-anchored metal-organic framework (Zn-SURMOF-2) containing anthracenedibenzoic acid (ADB) as linker. Combining band-structure and cluster-based simulations on ADB chromophores in various conformations and aggregation states, we are able to provide a detailed explanation of the experimentally observed photophysical properties of Zn-ADB SURMOF-2: The unexpected (weak) red-shift of the absorption maxima upon incorporating ADB chromophores into SURMOF-2 can be explained by a combination of excitonic coupling effects with conformational changes of the chromophores already in their ground state. As far as the unusually large red-shift of the emission of Zn-ADB SURMOF-2 is concerned, based on our simulations, we attribute it to a modification of the exciton coupling compared to conventional H-aggregates, which results from a relative slip of the centers of neighboring chromophores upon incorporation in Zn-ADB SURMOF-2.

The exfoliation of graphene has opened a new frontier in material science with a focus on 2D materials. The unique thermal, physical and chemical properties of these materials have made them one of the choicest candidates in novel mechanical and nano-electronic devices. Notably, 2D materials such as graphene, MoS2, WS2, h-BN, and Black Phosphorus have shown outstanding lowest frictional coefficients and wear rates, making them attractive materials for high-performance nano-lubricants and lubricating applications. The objective of this work is to provide a comprehensive overview of the most recent developments in the tribological potentials of 2D materials. At first, the essential physical, wear, and frictional characteristics of the 2D materials including their production techniques are discussed. Subsequently, the experimental explorations and theoretical simulations of the most common 2D materials are reviewed in regards to their tribological applications such as their use as solid lubricants and surface lubricant nano-additives. The effects of micro/nano textures on friction behavior are also reviewed. Finally, the current challenges in tribological applications of 2D materials and their prospects are discussed.

We present software on total energy calculation by quantum mechanics first principle method with a graphic user interface (GUI). Total energy calculation in this software is based on numerical analysis of time-dependent density functional (the used numerical method is finite difference time domain). QUMEC package has been equipped by common exchange-correlation energy terms with electron spin polarization calculation. With this package, users can calculate the total energy of the free particle, bulk materials, and materials with free surfaces at the atomic scale. The package is tested by several physical subjects, i.e., the surface energy of nano-LiCoO₂ and diffusion constant of lithium atoms in LiNi­_0.5Mn_1.5O₄.

The direct growth of single-walled carbon nanotubes (SWCNTs) with a narrow distribution of diameter or chirality remains elusive despite significant benefits in properties and applications. Nanoparticle catalysts are vital for SWCNT synthesis, but how to precisely manipulate their chemistry, size, concentration, and deposition remains difficult, especially within a continuous production process from the gas-phase. Here, we demonstrate the preparation of W6Co7 alloyed nanoparticle catalysts with precisely tunable stoichiometry using electrospray, which remain solid state during SWCNT growth. We also demonstrate continuous production of liquid iron nanoparticles with in-line size selection. With the precise size manipulation of catalysts in the range of 1-5 nm, and a nearly monodisperse distribution (σ_g < 1.2), an excellent size selection of SWCNT can be achieved. All of the presented techniques show great potential to facilitate the realization of single-chirality SWCNT production.

The use of cow bones for biomaterial is still limited; accordingly, the cow bones waste has low economic value. Basically, a human’s and a cow’s bones are the same in terms of their forming compound. Aluminum (Al) has the potential to combine with hydroxyapatite (HAp) to make metal matrix composites (MMC) that have the potential for biomaterials. Compatible elements to be combined with Al and HAp are magnesium (Mg), titanium (Ti), and Copper (Cu), used self-high propagating temperatures synthesis (SHS). MMC can be processed to be a useful, solid product. Applying pressure to the SHS reaction and heating process may result in biomaterial composite product consisting of some matrix materials such as Al come from cans materials used in the experiment was HAp that was processed from cow bones calcination, added by can that contained aluminum and wetting agent, namely magnesium. The exothermic temperature was 800-900°C. The compaction process was done to allow materials to be bound. Based on the ASTM F138 standard for element of biomaterials, the porosity value was below 30% and hardness level above 40 HV. Cow bones and can-based composite sample with the composition of HAp-Al-Mg: 85%-10%-5% met the standard since the hardness value was: 73.3 HV with a porosity value of 29.88%.

The universal Debye – Mayer – Kelly hybrid model was proposed for the description of the heat capacity from 0 K to the melting points of substance within the experimental uncertainty for the first time. To describe the heat capacity, the in-house software on the base of commercial one DELPHI-7 was used with a 95% confidence level. To demonstrate the perfect suitability of this model, a thermodynamic analysis of the heat capacities of the fourth group elements, and some compounds of the A^IIIB^V and A^IIB^VI phases was carried out. It produced good agreement within the experimental uncertainty. There is no a similar model description in literature.The Similarity Method is a convenient and effective tool for critical analysis of the heat capacities of isostructural phases, which was used as an example for diamond-like compounds. Phases with the same sum of the atomic numbers of elements (Z), such as diamond and B_0.5 N_{0.5 (cub)} (Z = 6); pure silicon (Si) and Al_0.5 P_0.5 (Z=14); pure germanium (Ge) and Ga_0.5 As_0.5 (Z = 32)); pure grey tin (alpha-Sn) and In_0.5 Sb_0.5, and Cd_0.5 Te_0.5 (Z = 50) have the same heat capacity experimental values in the solid state. The proposed models can be used to both different binary and multicomponent phases. It helps to standardize the physicochemical constants.

The electronic structure and some of its derived properties of Li2CaGeO4 compound have been investigated. The calculations have been performed using the full-potential linearized augmented plane wave plus local orbitals method and ultra-soft pseudo-potentials . The optimized lattice parameters are found to be ingood accord with experiment. Features such as bulk modulus and its pressure derivative, electronic band structure and density of states are reported. The elastic anisotropy of the crystal is discussed and visualized. Moreover, the optical properties reveal that Li2CaGeO4 compound are suitable candidates for optoelectronic devices in the visible and ultraviolet (UV) regions.

A super-porous hybrid platform can offer significantly increased number of reaction sites for the analytes and thus can offer advantages in the biosensor applications. In this work, a significantly improved sensitivity and selectivity of hydrogen peroxide (H2O2) cancer sensor is demonstrated by a super-porous hybrid CuO/Pt NP platform. The super-porous hybrid platform is fabricated by a physiochemical approach combining the physical vapor deposition of Pt NPs and electrochemical deposition of super-porous CuO structures by adopting a dynamic hydrogen bubble technique. Under an optimized condition, the hybrid CuO/Pt biosensor demonstrates a very high sensitivity of 2,205 µA/mM∙cm2 and a low limit of detection (LOD) of 140 nM with a wide range of H2O2 detection. This is meaningfully improved performance as compared to the CuO-based H2O2 sensors as well as to the previously reported metal oxide based H2O2 sensors. The hybrid CuO/Pt platform exhibits excellent selectivity against other interfering molecules such as glucose, fructose, dopamine, and ascorbic acid. Due to the synergetic effect of highly porous CuO structures and underlying Pt NPs, the CuO/Pt architecture offers extremely abundant active sites for the H2O2 reduction and electron transfer pathways.

A theoretical nonlocal thermoelastic model for studying the effects of the thermal conductivity variability on a rotating nanobeam has been described in the present article. The theory of thermal stress is employed using the Euler–Bernoulli beam model and generalized heat conduction with phase lags. It is believed that the thermal conductivity of the current model varies linearly according to temperature. Due to variable harmonic heat, the considered nanobeam excited and was subjected to a time-varying exponential decay load. Using the Laplace transform process, the analytical solutions for displacement, deflection, thermodynamic temperature and bending moment of rotating nanobeams are provided in final forms and a numerical example has been taken to address the problem. A comparison of the stated results was displayed and additionally, the influences of non-local parameters and varying load were analyzed and examined. We also investigate how the linear changes in the temperature of physical properties can influence both the static and dynamic responses to the rotating nanobeam.

Graphite nanoplatelets (GNPs) were produced from flake graphite that had been immersed in isopropyl alcohol solution (70%) and converted to powder form in an ultrasonic bath (5 h, room temperature). Scanning and transmission electron microscopy, X-ray diffractometry, and Raman spectroscopy identified 120-nm-thick GNP crystallites and 0.5–21 µm plates with different areas and shapes. Extensive exfoliation was observed by transmission electron microscopy with abundant multilayer and some monolayer GNPs. X-ray diffractometry confirmed 43 GNP layers along the c-axis. Raman spectroscopy indicated well-defined GNPs with few defects and no oxide content. Rietveld analysis indicated a GNP crystal lattice with stacks of parallel two-dimensional graphene layers and tightly bound hybridized carbon atoms stacked in a translational …ABAB… sequence in hexagonal rings.

The development of a highly specific drug delivery system (DDS) for anti-cancer therapeutics is an area of intense research focus. Chemical engineering of a “smart” DDS to specifically target tumor cells has gained interest, designed for safer, more efficient, and effective use of chemotherapeutics for the treatment of cancer. However, the selective targeting and choosing the critical cancer surface biomarker are essential for targeted treatments to work. The folic acid receptor alpha (FRalpha) has gained popularity as a potential target in triple-negative breast cancer (TNBC). We have previously reported on a functionalized folic acid (FA)-conjugated amphiphilic alternating copolymer poly(styrene-alt-maleic anhydride) (FA-DABA-SMA) via a biodegradable linker 2,4-diaminobutyric acid (DABA) that has the essential features for efficient “smart” DDS. This biocompatible DDS self-assembles in a pH-dependent manner, providing stimuli-responsive, active targeting, extended-release of hydrophobic chemotherapeutic agents, and can effectively penetrate the inner core of 3-dimensional cancer spheroid models. The empty FA-DABA-SMA decreased spheroid volume, revealing a previously unknown mechanism of action. Upon further investigation, a size- and shape-dependent interaction FA-DABA-SMA with FR reduced the expression of p53, the product of the highly mutated TP53 gene, and additional oncogenic c-Myc and STAT3 proteins. Here, we investigated how this copolymer influences FR behavior and disrupting the receptor’s functions. Results indicate that FA-DABA-SMA increases FR expression levels in breast MDA MB-231 cancer cells and disrupting FR signaling by the reduction in HES1 and NOTCH1 protein expression levels. Also, FA-DABA-SMA induces apoptosis and further causes a change in the morphology of the MDA MB-231 cells, as well as significantly reduces their ability to migrate in a Scratch wound assay. Collectively, these findings provide a novel insight into the functionalized FA-DABA-SMA copolymer. The 350 kDa and 20 kDa copolymers actively target FRα to initialize internationalization. However, only the large size and sheet-shaped 350 kDa copolymers disrupt FRα signaling. The significance of these novel findings reveals the intracellular activity of the copolymer that is critically dependent on the size and structural shape. This report offers novel therapeutic insight into a dual mechanism of FA-DABA-SMA copolymer for its therapeutic potential for the treatment of cancer.

We report herein high-resolution x-ray diffraction measurements of basal plane bending of homoepitaxial single-crystal diamond (SCD). The results reveal that growth parameters such as temperature, growth time and basal plane bending of the substrate affect the basal plane bending of SCD. First, the basal plane bending of SCD depends mainly on the substrate itself. The basal plane bending of SCD becomes more severe with increasing basal plane bending of the substrate and this type of basal plane bending cannot be recovered. The SCD growth experiments show that the basal plane bending increases at high temperature and with increasing growth time. Finally, to understand the mechanism behind basal plane bending, we investigate the substrate-surface temperature distribution as a function of basal plane bending of SCD fabricated by chemical vapour deposition (CVD). This allows us to propose a bending model and understand the origin of basal plane bending. The results indicate that an uneven temperature distribution on the substrate surface is the main cause of the CVD diamond base-plane bending.

Single nanowires (NWs) are of great importance for various optoelectronic applications, especially solar cells serving as powering nanoscale devices. However, weak off-resonant absorption can limit its light-harvesting capability. Here, we propose a single NW coated with the graded-index dual shells (DSNW). We demonstrate that with the proper thickness and refractive index of the inner shell, the DSNW exhibits significantly enhanced light trapping compared with the bare NW (BNW), and the NW only coated with the outer shell (OSNW) and inner shell (ISNW), which can be attributed to the optimal off-resonant absorption mode profiles due to the improved coupling between the reemitted light of the leak mode resonances of the Si core and the nanofocusing light from the dual shells with the graded refractive index. We found that the light absorption can be adjusted via tuning the thickness and refractive index of the inner shell, the photocurrent density is significantly enhanced by 134% (56%, 12%) in comparison with that of the BNW (OSNW, ISNW). This work advances our understanding of how to improve off-resonant absorption by applying graded dual shells and provides a new choice for designing high-efficiency single NW photovoltaic devices.

Thermal interface material (TIM) that can exist as liquid at the service temperature enables efficient heat transfer across two adjacent surfaces in electronic applications. In this work, the thermal conductivities of different phase regions in the Ga-In system at various compositions and temperatures are measured for the first time. A modified comparative cut bar technique is used for the measurement of the thermal conductivities of In_xGa_1-x (x=0, 0.1, 0.214, 0.3, and 0.9) alloys at 40, 60, 80, and 100^oC that are the temperatures commonly encountered in consumer electronics. The thermal conductivity values for the liquid and semi-liquid (liquid+β) Ga-In alloys are higher than the TIM currently used in consumer electronics. These measured quantities, along with the available experimental data from the literature, served as input for the thermal conductivity parameter optimization using the CALPHAD (CALculation of PHase Diagram) method for the pure elements, solution phase, and two-phase region. A set of self-consistent parameters for the description of the thermal conductivity of the Ga-In system is obtained. There is good agreement between the measured and calculated thermal conductivity values for all the phases. Hence, it can be envisaged that liquid/semi-liquid Ga-In alloys can be considered as a potential TIM in consumer electronics due to its high thermal conductivity.

We prepared heterogeneous alumina-silicate glasses by consolidating nanoparticles using molecular dynamics simulations. Consolidated glasses from either low alumina content alumina-silicate glasses or high alumina content alumina-silicate glasses show significantly improved ductility around consolidation pressure of ~3 GPa. The introduced structural heterogeneities, namely over-coordinated network formers and their neighboring oxygen atoms, are identified as plasticity carriers due to their high rearrangement propensity. In addition, consolidated oxide glass from both 23.4Al₂O₃76.6SiO₂ and 73.1Al₂O₃26.9SiO₂ nanoparticles show improved flow strength (up to 1 GPa) due to the introduction of chemical heterogeneities. Last but not least, apparent hardening behavior appears upon cold work in consolidated glasses, with an increase of yield strength from ~3.3 GPa to ~6.4 GPa. This method is a big advancement toward ultra-strong and ultra-tough glasses by breaking the structure, composition and size limitations in traditional melt-quench process.

Biological gels (bio-gels) are hydrated polymer networks that serve diverse biological functions, which often lead to intentional or unintentional exposure to particulate matter. In this work, we derive a microscopically motivated framework that enables the investigation of penetration mechanisms into bio-gels. We distinguish between two types of mechanisms: spontaneous (unforced) penetration and forced penetration. Using experimental data available in literature, we exploit the proposed model to characterize and compare between the micro-structures of respiratory, intestinal, and cervicovaginal mucus and two types of biofilms. Next, we investigate the forced penetration process of spherical and ellipsoidal particles into a locally quadrilateral network. The proposed framework can be used to improve and complement the analysis of experimental findings in vitro, ex vivo, and in vivo. Additionally, the insights from this work pave the way towards enhanced designs of nano-medicines and allow to assess risk factors related to the nano-pollutants exposure.

Intranasal (i.n.) administration became an alternative strategy to bypass the blood-brain barrier and improve drug bioavailability in the brain. The main goal of this work was to preliminarily study the biodistribution of mixed amphiphilic mucoadhesive nanoparticles made of chitosan-g-poly(methyl methacrylate) and poly(vinyl alcohol)-g-poly(methyl methacrylate) and ionotropically crosslinked with sodium tripolyphosphate in the brain after intravenous (i.v.) and i.n. administration to Hsd:ICR mice. After i.v. administration, the highest nanoparticle accumulation was detected in the liver, among other peripheral organs. After i.n. administration of a 10-times smaller nanoparticle dose, the accumulation of the nanoparticles in off-target organs was much lower than after i.v. injection. In particular, the accumulation of the nanoparticles in the liver was 20 times lower than by i.v. When brains were analyzed separately, intravenously administered nanoparticles accumulated mainly in the “top” brain, reaching a maximum after 1h. Conversely, in i.n. administration, nanoparticles were detected in the “bottom” brain and the head (maximum reached after 2 h) owing to their retention in the nasal mucosa and could serve as a reservoir from which the drug is released and transported to the brain over time. Overall results indicate that i.n. nanoparticles reach similar brain bioavailability, though with a 10-fold smaller dose, and accumulate in off-target organs to a more limited extent and only after redistribution through the systemic circulation. At the same time, both administration routes seem to lead to differential accumulation in brain regions and thus, they could be beneficial in the treatment of different medical conditions.

Hemoconcentration membranes used in cardiopulmonary bypass require a pore structure design with high pure water permeability, and which does not allow protein adsorption and useful protein loss. However, studies on hemoconcentration membranes have not been conducted yet. The purpose of this study was to analyze three-dimensional pore structures and protein fouling before and after blood contact with capillary membranes using the tortuous pore diffusion model and a scanning probe microscope system. We examined two commercially available capillary membranes of similar polymer composition that are successfully used in hemoconcentration clinically. Assuming the conditions of actual use in cardiopulmonary bypass, we perfused these membranes with bovine blood. Pure water permeability before and after bovine blood perfusion was measured using the dead-end filtration. The scanning probe microscopy system was used for analysis. High-resolution three-dimensional pore structures on the inner surface of the membranes were observed before blood contact. On the other hand, pore structures after blood contact could not be observed due to protein fouling. The pore diameters calculated by the tortuous pore diffusion model and scanning probe microscopy were mostly similar and could be validated reciprocally. Achievable pure water permeabilities showed no difference despite protein fouling, leading to low values of albumin SC. This is due to the mechanism that protein fouling occurs on the membrane surface, while there is little internal pore blocking. Therefore, controlling the fouling is essential for membranes in medical use. These characteristics of the hemoconcentration membranes examined in this study are suitable for clinical use.

Knowledge about the formation energies of compounds is essential to derive phase diagrams of multi-component phases with respect to elemental reservoirs. The determination of formation energies using common (semi-)local exchange-correlation approximations of density functional theory (DFT) exhibits well-known systematic errors if applied to oxide compounds containing transition metal elements. In this work, we generalize, reevaluate and discuss a set of approaches proposed and widely applied in the literature to correct for errors arising from the over-binding of the O2 molecule and from correlation effects of electrons in localized transition-metal orbitals. The DFT+U method is exemplarily applied to iron oxide compounds, and a procedure is presented to obtain U values, which lead to formation energies and electronic band gaps comparable to experimental values. Using such corrected formation energies, we derive the phase diagrams for LaFeO3, Li5FeO4 and NaFeO2, which are promising materials for energy conversion and storage devices. A scheme is presented to transform the variables of the phase diagrams from the chemical potentials of elemental phases to those of precursor compounds of a solid-state reaction, which represents the experimental synthesis process more appropriately. The discussed workflow of methods can directly be applied to other transition metal oxides.

Oleylamine capped WS2 nanostructures were successfully formed at 320 °C via a relatively simple colloidal route. SEM and TEM analyses showed that the 3D nanoflowers that were initially formed disintegrated into 2D nanosheets after prolonged incubation. XPS and XRD analyses confirmed oxidation of WS2 into WO3. Sensors based on these oleylamine capped WS2 nanoflowers and nanosheets still showed a change in electrical response towards various concentrations of NH3 vapour at room temperature in a 25% relative humidity background despite the oxidation. The nanoflowers exhibited n-type response while the nanosheets displayed a p-type response towards NH3 exposure. The nanoflower based sensors showed better response to NH3 vapour exposure than the nanosheets. The sensors showed a good selectivity towards NH3 relative to acetone, ethanol, chloroform and toluene. Meanwhile, a strong interference of humidity to the NH3 response was displayed at high relative humidity levels. The results demonstrated that oleylamine limited the extent of oxidation of WS2 nanostructures. The superior sensing performance of the nanoflowers can be attributed to their hierarchical morphology which enhances the surface area and diffusion of the analyte.

Raindrop erosion is a significant materials limiting issue. It can affect materials for transportation and renewable energy converters such as wind turbines as well as all external structures used in the construction industries. In such cases, the raindrop effects can occur over a wide range of impact velocities and particles sizes. In understanding tribological variable effects, it is useful to study using reference materials. This is because the reference material is well characterized, from previous knowledge of the tribological and corrosion patterns. Further, the well established chemical composition and stochiometry of the corrosion products provide some background understanding of how effectively, during tribological action, the surface scale adheres to the substrate. In this study, a carbon steel was used as a reference to study the effects of velocity and drop diameter in a whirling arm erosion test rig. The results were used to establish the conditions where corrosion was accelerated and the environments where aerodynamic effects may have resulted in droplets being deflected the surfaces. Erosion maps were generated to illustrate such mechanisms based on the results.

Raindrop erosion is a significant materials limiting issue. It can affect materials for transportation and renewable energy converters such as wind turbines as well as all external structures used in the construction industries. In such cases, the raindrop effects can occur over a wide range of impact velocities and particles sizes. In understanding tribological variable effects, it is useful to study using reference materials. This is because the reference material is well characterized, from previous knowledge of the tribological and corrosion patterns. Further, the well established chemical composition and stochiometry of the corrosion products provide some background understanding of how effectively, during tribological action, the surface scale adheres to the substrate. In this study, a carbon steel was used as a reference to study the effects of velocity and drop diameter in a whirling arm erosion test rig. The results were used to establish the conditions where corrosion was accelerated and the environments where aerodynamic effects may have resulted in droplets being deflected the surfaces. Erosion maps were generated to illustrate such mechanisms based on the results.

The results of the bibliographic analysis show that the most explored nanomaterials in dentistry are graphene and carbon nanotubes, and their derivatives. A detailed analysis and a comparative study on their applications show that, although they are quite similar, graphene based materials seem to be more promising for most of the applications of interest in dentistry. The bibliographic study also demonstrated the potential of zeolite based materials, although the low number of studies on their applications shows that they have not been totally explored, as well as other porous nanomaterials that found important applications in medicine, such as metal organic frameworks, have not been explored. Subsequently, it is expected that the research effort will concentrate in graphene and zeolite based materials in the incoming years. Thus, present review paper presents a detailed bibliographic study, with more than 200 references, in order to describe briefly the main achievements that have been described in dentistry using nanomaterials, compare and analyze them in a critical way, with the aim of predicting the future challenges.

The selection of biomaterials for biomedical application is a significant challenge. In the last few decades, various bioabsorbable and stable biopolymers have been applied for use as biomedical devices in orthopedic applications. Ultra-high molecular weight polyethylene (UHMWPE) has been extensively used in medical implants, notably in the bearings of hip, knee, and other joint prostheses, owing to its biocompatibility and high wear resistance. For the ACL graft, synthetic UHMWPE is an ideal candidate due to its biocompatibility and its extremely high tensile strength. Despite the appeal of new advanced materials such as carbon fiber, poly-ether-ether ketone, and other load-bearing materials, UHMWPE remains a primary load-bearing candidate material for ACL reconstructions because of its extremely high strength, the simplicity of the fabrication process, its biocompatibility, and low friction. However, some significant problems are observed in UHMWPE based implants, such as wear debris, and oxidative degradation due to the generation of free radicals when exposed to irradiation with gamma rays for grafting or sterilization. Various innovative methodologies have been developed to resolve those problems and enhance the properties of UHMWPE. In this review, we will explore in detail the methods for surface functionalization of UHMWPE and will apply these findings to the case study of UHMWPE for Anterior Cruciate Ligament repair.

In this study, the hot deformation of Cu-0.55Sn-0.08La (wt%) alloy was studied by gleeble-3180 testing machine at deformation temperatures of 400-700oC and various strain rates. The stress-strain curve showed that the hot deformation behavior of Cu-0.55Sn-0.08La (wt%) alloy was greatly affected by work hardening, dynamic recovery, and dynamic recrystallization. The activation energy Q was calculated as 287.141 kJ/mol , and hot compression constitutive equation was determined as ε ̇=[sinh(0.006388σ)]^12.123∙exp⁡(37.7505-287.141/RT). The microstructural evolution of the alloy during deformation at 400oC revealed the presence of both slip and shear bands in the grains. At 700oC, dynamic recrystallization grains were observed but recrystallization was incomplete. In sum, these results provided the theoretical basis for continuous extrusion process of alloys with promising future use.

The TiO₂ nanostructures resulted by pyrolysis of TiCl₄ at low temperature of 80 ^oC are found to be a mixture of amorphous TiO₂ complexes and anatase nanostructure that depends on the pH of the pyrolysis medium. Anatase nanostructure is predominant at low pH level and gradually converts to amorphous TiO₂ complexes with increasing pH level. By means of heat treatment, the TiO₂ nanostructures can be recovered from amorphous TiO₂ complexes. Amongst of the TiO₂ nanostructure recovered from amorphous TiO₂ complexes, the anatase nanostructure shows to be the strongest photocatalyst in decomposition of methylene blue.

Metal additive manufacturing (AM) has gained much attentions in recent years due to its advantages including geometric freedom and design complexity, appropriate to a wide range of potential industrial applications. However, conventional metal AM methods have high-cost barriers due to the initial cost of the capital equipment, support and maintenance, etc. This study presents a unique low-cost metal material extrusion (MME) technology. The filaments used have polylactic acid (PLA) as the matrix and metal powders (copper, bronze, stainless steel, high carbon iron, and aluminum) as reinforcements. Using the proposed fabrication technology, test specimens were built by extruding polymer/metal composite filaments, which were then sintered in an open-air furnace to produce solid metallic parts. In this research, the mechanical and thermal properties of the built parts are examined using tensile tests, thermogravimetric-, thermomechanical- and microstructural analysis.

Understanding potential uptake and biodistribution of engineered nanoparticles in soil-grown plants is imperative for toxicity and risk assessment considering the oral exposure of edibles by humans. Herein, we assessed potential influence of particle size (25, 50, and 250 nm) and concentration (0, 50, 100, 200, and 500 mg/kg-soil) of Copper oxide nanoparticles (CuONPs) on: (1) the root system architecture, and the physicochemical attributes of soil at the soil-root interface, (2) leading to Cu transport and accumulation in root, stem, leaf and seed in soybean (Glycine max cv Kowsar) grown for entire lifecycle of 120 days, and compared with soluble Cu²⁺ ions and water-only controls, and (3) performed a comparative assessment of total seed Cu levels in soybean with other valuable food sources for Cu intake and discussed its human health implications. Our findings showed particle size- and concentration-dependent influence of CuONPs on Cu uptake and tissue distribution in root, stem, leaf and seed in soybean. Alterations in root architecture (root dry weight, root length, root volume, and root area) were dependent on the Cu compound type, Cu concentrations, and their interactions (p<0.05), except for root density. Concentration-response relationships for all three sized CuONPs, and Cu²⁺ ions, were linear. CuONPs and Cu²⁺ ions had inhibitory effects on root growth and development. Overall, soybean responses to smallest size CuONPs-25 nm were higher for all parameters investigated compared to two larger sized CuONPs (50 nm, 250 nm) or Cu²⁺ ions. Cu uptake/bioaccumulation differed among soybean tissues in the order: root > leaf > stem > seed. Despite reduced root architecture and seed yield, our smallest size CuONPs-25 nm led to increased total seed Cu uptake compared to the larger sized CuONPs and Cu²⁺ ions tested. Our findings also suggest that soil amendment by CuONPs, more so by the smallest size CuONPs-25 nm, could significantly improve nutritional Cu value in soybean seed as reflected by % Daily Values (DV), and are rated “Good” to “Very Good” according to the “World’s Healthiest Foods” rating. However, until the potential toxicity and risk from consumption of soybean seed is characterized in humans, caution should be exercised when the Cu fortified seeds are used for daily human consumption when addressing Cu deficiency and associated illnesses, globally.

Dentin bonding is a key in restorative dentistry. Herein, we developed self-etching two-bottle adhesive system containing 10-methacryloyloxidecyl dihydrogen phosphate monomer (MDP) and the physical, mechanical, and biocompatible properties were evaluated. The characteristics of MDP were analyzed using nuclear magnetic resonance (NMR). The water sorption and solubility, the shear-bond strengths to dentin and enamel, and cytotoxicity tests were performed. The newly blended experimental group showed the lowest thickness and water sorption and solubility values. The shear bond strength to enamel and dentin were comparable to control groups (the three other products) all test groups showed 60% of cell viability. In this study, the properties of the newly synthesized adhesive are comparable with the others. The fundamental goal of this study is to get the MDP patent released, as it is intended for domestic production. For this purpose, this dentin adhesive was developed and compared with the commercial product.

This study explores the potential to reach a circular economy for post-consumer recycled polyethylene terephthalate (rPET) packaging and bottles by using it as a distributed recycling for additive manufacturing (DRAM) feedstock. Specifically, rPET is processed using only an open source toolchain with fused particle fabrication (FPF) or fused granular fabrication (FGF) processing. In this study, first the impact of granulation, sifting and heating (and their combination) is quantified on the shape and size distribution of the rPET flakes. Then feeding studies were performed to see if they could be printed through an external feeder or needed to be direct printed with a hopper using two Gigabot X machines, one with extended part cooling and one without. Print settings were optimized based on thermal characterization and for the latter which was shown to print rPET directly from shredded water bottles mechanical testing is performed. The results showed that geometry was important for extended feeding tubes and direct printed using a hopper. Further there is a wide disparity in the physical properties of rPET from water bottles depending on source and the history of the material. Future work is needed to enable water bottles to be used as a widespread DRAM feedstock.

Several coatings configurations of combined aluminizing and diffusion layered aluminide on 316 steel were produced and characterized. These coatings, typically employed as thermal barrier coating (TBC), can also be effective as vibration reduction elements at intermediate and high temperatures. This preliminary work has been focused on the microstructural design and processing effects of the coatings. The damping of the produced specimens was measured up to 450°C and compared with that of the steel substrate. The most performing coatings contain an Al-Si layer and exhibit a steep damping increase above 200 °C, reasonably due to dislocation movements by plastic straining of soft alloy layer and to the interface sliding between layers with different elastic moduli.

Recent years brought great focus in the field of development of extracellular vesicles (EVs) based drug-delivery systems. Considering possible applications of EVs as a drug carriers the isolation process is a crucial step. To solve problems related with EV isolation, we created and validated a new EVs isolation method – Low Vacuum Filtration (LVF) and compared it with two commonly applied procedures - differential centrifugation (DC) and ultracentrifugation (UC). EVs isolated from endothelial cells culture media have been characterized by a) transmission electron microscopy (TEM) b) nanoparticle tracking analysis (NTA), c) western blot and d) Fourier-Transform Infrared Spectroscopy (FTIR). Additionally, the membrane surface have been imaged with Environmental Scanning Electron Microscopy (ESEM). We showed that LVF is reproducible and efficient method for EVs isolation form conditioned media. Additionally, we observed correlation between ATR-FTIR spectra quality and the EVs and proteins concentration. ESEM imaging confirmed that actual pore diameter are close to the values calculated theoretically. LVF method is an easy, fast and inexpensive EVs isolation method which allows for isolation of both ectosomes and exosomes from high volume sources with good repeatability. We think that it could be an efficient alternative for commonly applied methods.

Here we report the effect of substrate, sonication process, and post-annealing on the structural, morphological, and optical properties of ZnO thin films grown in presence of isopropyl alcohol (IPA) at temperature 30 – 65 ℃ by SILAR method on both soda lime glass (SLG) and Cu foil. The X-ray diffraction (XRD) patterns confirmed the preferential growth of ZnO thin films along (002) and (101) plane while grown on SLG and Cu foil substrate respectively. Both XRD and Raman spectra confirmed the ZnO and Cu-oxide phases of the deposited films. Scanning electron microscope (SEM) image of the deposited films shows compact and uniformly distributed grains for samples grown without sonication while using IPA at temperature 50 and 65 ℃. The post-annealing treatment improves the crystallinity of the films, further evident by XRD and UV-VIS-NIR results. The estimated optical bandgaps are in the range of 3.37-3.48 eV for as-made samples. Results revealed that high-quality ZnO thin films could be grown without sonication using IPA dispersant at 50 ℃, which is much lower than the reported results using the SILAR method. This study suggests that in the presence of IPA, the SLG substrate results in better c-axis oriented ZnO thin films than that of DI water, ethylene glycol, propylene glycol at the optimum temperature of 50 ℃. Air-annealing of the samples grown on Cu foils induced the formation of CuxO/ZnO junctions which is evident from the characteristic I-V curve including the structural and optical data.

In this work, the structural, magnetic, and mechanical properties of Nd16Fe76-xCoxB8 alloys varying the Co content at x = 0, 10, 20 and 25, were experimentally investigated by X-Ray Diffraction (XRD), Mössbauer Spectrometry (MS), Vibrating Sample Magnetometry (VSM) at room temperature (RT), and microhardness test were performed too. The system presents the hard Nd2Fe14B and the Nd1.1Fe4B4 phases for samples with x = 0 and 10. When concentration increases to x= 20 and 25, the CoO phase appears. All MS show the ferromagnetic behavior (eight sextets: sites 16k1, 16k2, 8j1, 8j2, 4c, 4e, sb) associated to the hard and soft magnetic phases, and one paramagnetic component (doublet: site d) associated to the minority Nd1.1Fe4B4 phase, which was not identified by XRD. All samples are magnetically hard present a hard magnetic behavior. The increase of Co content in these samples did not improve the hard magnetic behavior, but increased the critical temperature of the system and decrease the crystallite size of the hard phase. The hysteresis loop showed that predominates the Nd2Fe14B hard magnetic phase. There is a general tendency to increase microhardness with cobalt content, attributable to cobalt doping reduces the lattice parameters and porosities in the sample improving it hardness.

The study of co-fusion was one of the essential topics in the history of metallurgy in China. Simulation experiments had been an essential concept in the study of the co-fusion steelmaking process. This paper mainly studied the simulation experiments of co-fusion from two aspects: the replication of co-fusion swords by three different methods, and the micro-analysis of the co-fusion samples. The experimental results indicated that several co-fusion swords could be made by different processes, but the carbon content and surface hardness were quite different. During repeated forging welded, the microstructure of the samples transformed from laminated to homogenized, finally the steel with a uniform carbon content was obtained. It was challenging to find the characteristics of co-fusion from the homogenized samples. The results prompted people to rethink the microstructure characteristics of ancient co-fusion artifacts.

Aluminium alloys have evolved as suitable materials for automotive and aircraft industries due to their reduced weight, excellent fatigue properties, high-strength to weight ratio, high workability/formability, and corrosion resistance. Recently, the joining of similar and dissimilar metals have achieved huge success in various sectors. The processing of soft metals like aluminium, copper, iron and nickel have been fabricated using friction stir processing. Friction stir processing (FSP) is a microstructural modifying technique that uses the same principles as the friction stir welding technique. In the majority of studies on FSP, the effect of process parameters on the microstructure was characterized after a single pass. However, multiple passes of FSP is another method to further modify the microstructure in aluminium castings. This study is aimed at reviewing the impact of multi-pass friction stir processed joints of aluminium alloys and to identify a knowledge gap. From the literature that is available on multi-pass FSP, it has been observed that the majority of the literature focused on the processing of plates than the joints. There is limited literature reporting on multi-pass friction stir processed joints. This then creates a need to study further on multi-pass friction stir processing on dissimilar aluminium alloys.

Commercially available oxidized (carboxylic groups) and non-oxidized multiwalled carbon nanotubes were studied as adsorbents of cerium(III) in batch operation mode. Several variables affecting the rare earth adsorption were investigated, including: the stirring speed applied to the system, the pH of the solution and the metal concentration and carbon dosages. Although the removal of cerium from the solution is different and dependent upon the adsorbent type: i) adsorption in non-oxidized multiwalled carbon nanotubes, ii) cation exchange in the case of using oxidized multiwalled carbon nanotubes, the adsorption kinetics, the rate law and the isotherm models are the same for both adsorbents: pseudo-second order, film diffusion and Langmuir Type-1, respectively. Cerium is desorbed from loaded adsorbents using acidic solutions.

We report the negative effective mass metamaterials based on the electro-mechanical coupling exploiting plasma oscillations of a free electron gas. The negative mass appears as a result of vibration of a metallic particle with a frequency of ω which is close to the frequency of the plasma oscillations of the electron gas m_2 relatively to the ionic lattice m_1. The plasma oscillations are represented with the elastic spring k_2=ω_p^2 m_2, where ω_p is the plasma frequency. Thus, the metallic particle vibrated with the external frequency ω is described by the effective mass m_eff=m_1+(m_2 ω_p^2)/(ω_p^2-ω^2 ) , which is negative when the frequency ω approaches ω_p from above. The idea is exemplified with two conducting metals, namely Au and Li embedded into various matrices. The one-dimensional lattice built of the identical metallic micro-elements m_eff connected by ideal springs k_1 representing various media such as polydimethylsiloxane and soda-lime glass is treated. The optical and acoustical branches of longitudinal modes propagating through the lattice are elucidated for various ratios ω_1/ω_p . The 1D lattice built of the thin metallic wires giving rise to the low frequency plasmons is treated. The possibility of the anti-resonant propagation, strengthening the effect of the negative mass occurring under  = p = 1 is addressed.

The cellulose/GO networks as the scaffold of free-standing aerogel electrodes are developed by using lithium bromide aqueous solution as the solvent to ensure the complete dissolution of cotton linter pulp and well dispersion/reduction of GO nanosheets. PANI nanoclusters are then coated onto cellulose/GO networks via in-situ polymerization of aniline monomers. By optimized weight ratio of GO and PANI, the ternary cellulose/GO3.5/PANI aerogel film exhibits well-defined three-dimensional porous structures and high conductivity of 1.15 S/cm that contributes to its high areal specific capacitance of 1218 mF/cm2 at the current density of 1.0 mA/cm2. Utilizing this cellulose/GO3.5/PANI aerogel film as electrodes in a symmetric configuration supercapacitor can result in an outstanding energy density as high as 258.2 μWh/cm2 at a power density of 1201.4 μW/cm2. Moreover, the device can maintain nearly constant capacitance under different bending deformations, suggesting its promising applications in flexible electronics.

Air filtration mechanisms in the composite filter media used in practical applications are important and challenging to understand because the component fibers could have various size scales and morphologies. In this work, a three-dimensional digital model of nanofiber-based filter media was reconstructed for the first time based on the X-ray tomography data for the cellulose substrate and the Focused Ion Beam-Scanning Electron Microscope (FIB-SEM) image analysis for the several microns thick (3.82-7.90 μm) electrospun polyvinylidene fluoride (PVDF) nanofiber membrane. Besides the high-resolution model where the details of the fibrous structures were fully resolved, another low-resolution model with approximated unresolved structures was also established. Filtration simulations utilizing these models were conducted considering the drag force, Brownian diffusion and aerodynamic slip. The simulated filtration efficiencies agreed well with the experiments for particles of 70-400 nm, including the most penetrating particle size (MPPS, 100-200 nm). Moreover, the structure-resolved models had higher accuracy but higher computational costs, while the unresolved simulations saved much running time but over-predicted the filtration efficiency, especially for smaller particles (<100 nm). Our study presents a comprehensive strategy for investigating the composite filter media with multiscale complex structures using a combination of advanced characterization technologies and modular simulation models.

Background: Actually, resonance frequency analysis (RFA) is the most extended method for measuring implant stability. The implant stability quotient (ISQ) is the measure obtained by the different RFA devices, however, inter- and intra- rater reliability and validity of some devices remains unknown. Methods: Thirty implants were placed in 3 different pig mandibles. ISQ was measured axial and parallel with Osstell® Beacon, Penguin® and MegaISQ® by 2 different operators and one operator performed a test-retest. Intraclass correlation coefficient was calculated to assess the intra- and inter-rater reliability. Pearson correlation coefficient was used to assess the validity. Results: The higher inter- and intra- rater reliability was obtained by Penguin® when measuring axial. The highest ISQ values were obtained using Penguin® in an axial measurement; the lowest, using the MegaISQ® in an axial measurement. The highest correlation values with the other devices were obtained by MegaISQ® measuring axially. Conclusion: Penguin® had a good reliability for measuring ISQ both inter- and intra- rater. Osstell® had good validity for measuring ISQ both axial and parallel and MegaISQ® had the best validity for measuring ISQ axial.

Research on the chemical mechanism and reciprocal behavior of the coronavirus relate to living organisms, engaging in the give and take of electrochemical mediators, is a very important, controversial and vital issue. What we should accept is the chemical identity of this scenario, and not preferably a characteristic of a biological system. This chemical reaction should be familiar, referring to the theory of chemical pathways involved in DNA/proteins in the body against aggressive guests (such as viruses). From the point of view of a chemist, this simple reaction is nothing more than an oxidation-reduction reaction (redox-stress signaling) which conducted and carried out by coronavirus in a biointerface medium. Thereby, oxidizing as well as reducing reagents should be very constructive, promoting development in such chemical process. We understand redox reactions as switchable thiol/disulfide exchanges (formation and cleavage of inherent disulfide bonds), then, we can hugely profit from redox-responsive nano-surfaces equipped with multiple new ionic and covalent interactions. This game-changing idea can substantiate by surface modified-nanoparticles to play powerful roles in synthesis of nano oxidizers as well as reducing agents in nanomedicine. Chemists and pharmacists must then explore new thoughts and present modern experiences/approaches of preparation nanoparticles and nanocomposites to create novel vaccines as well as coronavirus drugs. In this regard, this experience can also be so helpful for HIV/AIDS, which is caused by viruses.

The unfolded band structure and optical properties of Cu-doped KCl crystals were computed by first principles within the framework of density functional theory, implemented in the ABINIT electronic structure package utilizing pseudopotential approximation and a plane-wave basis set. From a theoretical point of view, Cu substitution into pristine KCl crystals requires calculation by the supercell (SC) method. This procedure shrinks the Brillouin zone, resulting in a folded band structure that is difficult to interpret. To solve this problem and gain insight into the effect of copper ions (Cu+) on electronic properties, the band structure of SC KCl:Cu was unfolded to make a direct comparison with the band structure of the primitive cell (PC) of pristine KCl. To understand the effect of Cu substitution on optical absorption, we calculated the imaginary part of the dielectric function of KCl:Cu through a sum-over-states formalism and broke it down into different band contributions by partially making an iterated cumulative sum (ICS) of selected valence and conduction bands. Consequently, we identified those interband transitions that give rise to the absorption peaks due to the Cu+ ion. These transitions involve valence and conduction bands formed by the Cu-3d and Cu-4s electronic states

Inclusions in steels and alloys are known as factors that could lower deformation, mechanical, corrosion and other properties. Study of inclusions in nickel based alloys is important since these materials could suffer from corrosion degradation in harsh operational conditions, where inclusions could lead to a pitting initiation. For estimation of a harmful effect of different inclusions on corrosion resistance of Ni-based alloys, inclusion characteristics (such as composition, morphology, size, number and location) on film filter and dissolution of metal matrix around different inclusions on surfaces of metal samples after electrolytic extraction (EE) were investigated in two samples of industrial Ni-based alloys (alloy 718 and EP718). It was found that both Ni-based alloys have various inclusions: carbides (large size NbTi-C and small multicomponent carbides), nitrides TiNb-N and sulfides (TiNb-S in EP718 alloy). The higher harmful effect on corrosion resistance of metal was detected around sulfides and small carbides containing Mo, W, Cr. Dissolution effect was also observed around large carbides and nitrides, especially around inclusions having size more than 10 µm. Moreover, the dissolution of metal matrix around inclusions and clusters located on the grain boundaries is 2.1-2.7 times larger compared to that for those inclusions inside of grains of the given alloy samples.

The thermal properties of novel nanomaterials play a significant role in determining the performance of the material in technological applications. Herein, direct measurement of the temperature diffusivity of cellulose nanocomposite films was carried out by the micro-contact method. Polymer films containing up to 2%wt. of nanocellulose were synthesised by a simple chemical process. Films of a high optical transmittance T ≈ 80 % (for a 200- μ m-thick film), which were up to 44% crystalline, were characterised. Two different modalities of temperature diffusivity based on: 1) a resistance change and 2) micro-thermocouple detected modulation of a heat wave, were used for the polymer films with cross-sections of ∼ 100 μ m thickness. Twice different in-plane α ‖ and out-of-plane α ⊥ temperature diffusivities were directly determined with high fidelity: α ‖ = 2 . 12 × 10 − 7 m 2 /s and α ⊥ = 1 . 13 × 10 − 7 m 2 /s. An amorphous polyethylene terephthalate (PET) fiber was measured for comparison α ‖ = 1 . 15 × 10 − 7 m 2 /s. This work provides an example of a direct contact measurement of thermal properties of nanocellulose composite films. The thermal diffusivity, which is usually high in strongly interconnected networks and crystals, was investigated for the first time in this composite.

Optical and mechanical properties of multilayer coatings depend on the selected layer materials and the deposition technology; therefore, knowledge of the performances of thin films is essential. In the present work, titanium dioxide (TiO2) and silicon dioxide (SiO2) thin films have been prepared by plasma ion-assisted deposition (PIAD). The optical, structural, and mechanical properties of thin films have been investigated using spectrometer/ellipsometer, X-ray diffraction (XRD), atomic force microscopy (AFM), and laser interferometer. The results show that TiO2 film fabricated by PIAD induces a high refractive index, wide optical band gap, amorphous structure, smooth surface, and tensile stress. In the case of SiO2 film, high bias voltage leads to dense structure and compressive stress. As an application, a three-wavelength high reflectance at 632.8, 808, and 1550nm is optimized and deposited. The dependence of total stress in the multilayer on the substrate temperature is studied as well. In conclusion, it is demonstrated that PIAD is an effective method for the preparation of ultralow stress TiO2/SiO2 multilayer films. The achieved stress is as low as 1.4Mpa. The result could provide guidance to the stress optimization of most optical components without prefiguring, backside coating, and post-deposition treatments.

The cutting-edge photovoltaic cells are an indispensable part of the ongoing progress of earth-friendly plans for daily life energy consumption. However, the continuous electrical demand that extends to the night time requires a prior deployment of efficient real-time storage systems. In this regard, metal-air batteries have presented themselves as the most suitable candidates for solar energy storage, combining extra lightweight with higher power outputs and promises of longer life cycles. Scientific research over non-precious functional catalysts has always been the milestone and still contributing significantly to exploring new advanced materials and moderating the cost of both complementary technologies. Metal-organic frameworks (MOFs) derived functional materials have found their way to the application as storage and conversion materials, owing to their structural variety, porous advantages, as well as the tunability and high reactivity. In this review, we provide a detailed overview of the latest progress of MOF-based materials operating in metal-air batteries and photovoltaic cells.

The quantified residence time distribution (RTD) provides a numerical characterization of mixing in the continue casting tundish, thus allowing the engineer to better understand the metallurgical performance of the reactor. This paper describes a computational fluid dynamic (CFD) modelling study for analyzing the flow pattern and the residence time distribution in a five-strand tundish. Two passive scalar transport equations are applied to separately calculate the E-curve and F-curve in the tundish. The numerical modelling results are compared to the water modelling results for the validation of the mathematical model. The volume fraction of different flow regions (plug, mixed and dead) and the intermixing time during the ladle changeover are calculated to study the effects of the flow control device (FCD) on the tundish performance. The result shows that a combination of the U-baffle with deflector holes and the turbulence inhibitor has three major effects on the flow characteristics in the tundish: i) reduce the extent of the dead volume; ii) evenly distribute the liquid streams to each strand and iii) shorten the intermixing time during the ladle changeover operation.

Currently, metal nanoparticles have varied uses for different medical, pharmaceutical, and agricultural applications. Nano-biotechnology combined with green chemistry has great potential for the development of novel and necessary products that benefit human activities, while encourages the reduction of hazardous reagents for nanoparticle production. Green chemistry has an important role due to its contribution to unconventional synthesis methods of gold and silver nanoparticles from plant extracts, which have exhibited antimicrobial potential among other outstanding properties. Biodiversity-rich countries need to collect and convert knowledge from biological resources into processes, compounds, methods, and tools, which need to be achieved along with sustainable use and exploitation of biological diversity. Therefore, this review focuses on the importance of metal nanoparticles, the use of plant extract for their synthesis as well as other available methods, and the relevant antimicrobial activity that can be exploited in a sustainable model of agricultural management through a modern nanotechnological approach.

Water-soluble and cytocompatible polymers were investigated to enhance a transporting efficiency of biomolecules into cells in vitro. The polymers composed of 2-methacryloyloxyethyl phosphorylcholine (MPC) unit, a hydrophobic monomer unit, and a cationic monomer unit bearing an amino group were synthesized for complexation with model biomolecules, siRNA. The cationic MPC polymer was shown to interact with both siRNA and the cell membrane and was successively transported siRNA into cells. When introducing 20 − 50 mol% hydrophobic units into the cationic MPC polymer, transport of siRNA into cells. The MPC units (10 − 20 mol%) in the cationic MPC polymer were able to impart cytocompatibility, while maintaining interaction with siRNA and the cell membrane. The level of gene suppression of the siRNA/MPC polymer complex was evaluated in vitro and it was as the same level as that of a conventional siRNA transfection reagent, whereas its cytotoxicity was significantly lower. We concluded that these cytocompatible MPC polymers may be promising complexation reagent for introducing biomolecules into cells, with the potential to contribute to future fields of biotechnology, such as in vitro evaluation of gene functionality, and the production of engineered cells with biological functions.

With the decline in fossil fuels, hydrogen-based alternatives provide a reliable and clean source for sustainable energy generation. In these endeavors, photochemical splitting for hydrogen production through tandem cells has been the source of much theoretical and experimental research in science. Much focus has been placed on interfacial band gap engineering as one of the most promising routes in the generation of hydrogen.This present work explores sputtering of n-silicon to form the active electrode in a n-Si | n-TiO₂ tandem cell and investigates the effect of variations in sputtering and post sputtering treatment parameters (rapid thermal annealing and long cycle annealing) for successful deposition of crystalline Silicon. The samples were successfully characterized via Raman Spectroscopy, X-ray Diffraction and Optical Transmission Spectroscopy to ascertain prevalent crystalline order and optical band gap, under different sputtering and post-sputtering conditions. Relevant conclusions were drawn to ascertain the best possible deposition parameters of n-Si for photocatalytic water splitting.

Currently, the use of sustainable chemistry as an ecological alternative for the generation of products or processes, free of polluting substance has assumed a preponderant role. The aim of this work is propose a bioinspired, facile, at low cost, non-toxic and environmentally friendly alternative to obtaining magnetic nanoparticles whit a majority phase of magnetite (Fe₃O₄). Is important to empathize that the synthesis was based on the chemical reduction through the Cnicus Benedictus extract, whose use as reducing agent has not been reported in the synthesis of iron oxides nanoparticles. In addition, the Cnicus Benedictus is abundant endemic plant in Mexico, with several medicinal properties and a large number of natural antioxidants. The obtained nanoparticles exhibited significant magnetic and antibacterial properties and an enhanced photocatalytic activity. The crystallite size of the Fe₃O₄ nanoparticles (Fe₃O₄ NP’s) was calculated by Williamson-Hall method. The photocatalytic properties of the Fe₃O₄ NP´s were studied by kinetics absorptions models in the Congo red (CR) degradation. Finally the antibacterial effect of the Fe3O4 NP´s were evaluated mediated the Kirby-Bauer method against E. coli and S. aureus bacteria. This route offers a green alternative to obtain Fe3O4 NP´s with remarkable magnetic, photocatalytic and antibacterial properties.

Renewable nanocellulose materials received increased attention owing to their small dimensions, high specific surface area, high mechanical characteristics, biocompatibility, and compostability. Nanocellulose coatings are among many interesting applications of these materials to functionalize different by composition and structure surfaces, including plastics, polymer coatings, and textiles with broader applications from food packaging to smart textiles. Variations in porosity and thickness of nanocellulose coatings are used to adjust a load of functional molecules and particles into the coatings, their permeability, and filtration properties. Mechanical stability of nanocellulose coatings in a wet and dry state are critical characteristics for many applications. In this work, nanofibrillated and nanocrystalline cellulose coatings deposited on the surface of polymer films and textiles made of cellulose, polyester, and nylon are studied using atomic force microscopy, ellipsometry, and T-peel adhesion tests. Methods to improve coatings adhesion and stability using physical and chemical cross-linking with added polymers and polycarboxylic acids are analyzed in this study. The paper reports on the effect of the substrate structure and ability of nanocellulose particles to intercalate into the substrate on the coating adhesion.

For some decades, the scientific community has been looking for alternatives to the use of fossil fuels that allow the planet's sustainable and environmentally friendly development. To do this, attempts have been made to mimic some processes that occur in nature, among which the photosystem-II stands out, which allows water splitting operating with different steps to generate oxygen and hydrogen. This research presents promising results using synthetic catalysts, which try to simulate some natural processes, and which are based on [email protected] compounds. These catalysts were prepared by incorporating different amounts of gold nanoparticles (1 wt.%, 3 wt.%, 5 wt.%, 10 wt.%) and graphene (1 wt.%) on the surface of synthesized zinc oxide nanowires (ZnO NWs), and zinc oxide nanoparticles (ZnO NPs), along with a commercial form (commercial ZnO) for comparison purposes. The highest amount of hydrogen (1,127 µmol/hg) was reported by ZnO NWs with a gold and graphene loadings of 10 wt.% and 1 wt.%, respectively, under irradiation at 400 nm. Quantities of 759 µmol / hg and 709 µmol / hg were obtained with catalysts based on ZnO NPs and commercial ZnO, respectively. The photocatalytic activity of all composites increased with respect to the bare semiconductors, being 2.5 times higher in ZnO NWs, 8.8 times for ZnO NPs and 7.5 times for commercial ZnO. The high photocatalytic activity of the catalysts is attributed, mainly, to the synergism between the different amount of gold and graphene incorporated, and the surface area of the composites.

The effect of retrogression re-aging treatment (RRA) on corrosion behavior of 7055 Al-Zn-Mg alloy were studied. Results provides the corrosion resistance could be greatly improved by RRA. After the RRA treatment, the isolated precipitates occurred on grain boundaries (GBs) and the low angle grain boundaries (LAGBs) presented a larger fraction compared to the single-stage peaking aging. The samples after RRA treatment also show better corrosion resistance than the single-stage peak aging. The results of electrochemical impedance spectroscopy (EIS) show that impedance spectrum is consisted of semi-infinite layer diffusion impedance and stagnant Weber impedance. The semi-infinite layer diffusion impedance corresponded a limited retention layer on the electrode surface. In corrosion process, Weber impedance corresponded to stagnant layer of corrosion products generated by the anode branches. The RRA sample has the high Rf and low Cf, Cp values, and the corrosion current density of the RRA samples is ten times less than the single-stage peak aging samples with the 10% hardness losing.

This work shows the results obtained in the synthesis of srilankite nanoparticles, (Zr, Ti)O2, and TiO2 anatase, both catalysts presented an admix of phases, anatase/rutile, and srilankite/rutile, respectively. Their performance in the production of biodiesel through the esterification of oleic acid was evaluated. The catalysts were obtained using the sol-gel process and sulfated via the impregnation method. The samples were characterized using X-ray diffraction (XRD), scan electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS) and Fourier-Transform Infrared Spectroscopy (FTIR) to analyze the properties in its crystalline structure, morphology, and chemical composition. Its efficiency during the esterification reaction was measured based on the decrease in free fatty acids (FFA). FFA, oleic acid was added at different weight percentages (1%, 3%, and 5% w/w). The time of reaction was 6 hours at 55 °C and the catalyst with better performance was the sulfated Srilankite/rutile, reaching a maximum conversion of up to 90%.

Chemical versatility of organic semiconductors provides nearly unlimited opportunities for tuning their electronic properties. However, despite decades of research, relationship between molecular structure, molecular packing and charge mobility in these materials remains poorly understood. This reduces the search for high-mobility organic semiconductors to the inefficient trial-and-error approach. For clarifying the abovementioned relationship, investigations of the effect of small changes in the chemical structure on OSs properties are particularly important. In this study, we address computationally the impact of substitution of C-H atom pairs by nitrogen atoms (N-substitution) on molecular properties, molecular packing and charge mobility of crystalline oligoacenes. Besides of decreasing frontier molecular orbital levels, N-substitution dramatically alters molecular electrostatic potential yielding pronounced electron-rich and electron-deficient areas. These changes in the molecular electrostatic potential strengthen face-to-face and edge-to-edge interactions in the corresponding crystals and result in the crossover from the herringbone packing motif to π-stacking. When the electron-rich and electron-deficient areas are large, sharply defined and, probably, have certain symmetry, charge mobility increases up to 3-4 cm2V-1s-1. The results obtained highlight the potential of azaacenes for application in organic electronic devices and are expected to facilitate rational design of organic semiconductors for steady improvement of organic electronics.

Herein we report on the use of different metal precursors in the synthesis of MoSe2 nanomaterials in order to control their morphology. The use of Mo(CO)6 as the metal precursor resulted in the formation of wrinkled few-layer nanosheets, while the use of H2MoO4 as the metal precursor resulted in the formation of nanoflowers. To investigate the effect of the morphologies on their performance as catalysts in the hydrogen evolution reaction, electrochemical characterization was done using linear sweep voltammetry, cyclic voltammetry and impedance spectroscopy. The MoSe2 nanomaterials were found to have superior electrochemical performance towards the hydrogen evolution reaction with a lower Tafel slope, on-set potential and potential at 10 mA/cm2 compared to the wrinkled few-layer nanosheets. This was found to be due to the higher effective electrochemical surface area of the nanoflowers compared to the nanosheets which suggests a higher number of exposed edge sites in the nanoflowers.

The poor oxidation resistance of refractory high-entropy alloys (RHEAs) is a major obstacle for their use in high-temperature engineering applications. Anti-oxidation coating technology is an effective method for improving the oxidation resistance. In this paper, the Si-20Cr-20Fe coating was prepared on MoNbTaTiW RHEA by a fused slurry method. The microstructural evolution and compositions of the silicide coating under high-temperature oxidation environment were studied. The results show that the silicide coating could effectively prevent the oxidation of the MoNbTaTiW RHEA. The initial silicide coating had a double-layer structure; a high silicon-content layer mainly composed of MSi2 as the outer layer and a low silicon-content layer mainly contained M5Si3 as the inner layer. Under high-temperature oxidation conditions, the silicon element diffused from the silicide coating to the RHEA substrate while the oxidation of the coating occurred. After oxidation, the coating was composed of an outer oxide layer and an inner silicide layer. The silicide layer moved toward the inside of the substrate, led to the increase of its thickness. Compared with the initial silicified layer, its structure did not change significantly. The structure and compositions of the oxide layer on the outer surface strongly depended on the oxidation temperature. This paper provides a strategy for protecting RHEAs from oxidation at high-temperature environments.

The influence of post-processing conditions on the magnetic properties of amorphous and nanocrystalline microwires have been thoroughly analyzed, paying attention on the influence of magnetoelastic, induced and magnetocrystalline anisotropies on the hysteresis loops of Fe-, Ni- and Co-rich microwires. We showed that magnetic properties of glass-coated microwires can be tuned by the selection of appropriate chemical composition and geometry in as-prepared state or further considerably modified by appropriate post-processing, which consists of either annealing or glass-coated removal. Furthermore, stress-annealing or Joule heating can further effectively modify the magnetic properties of amorphous magnetic microwires owing to induced magnetic anisotropy. Devitrification of microwires can be useful for either magnetic softening or magnetic hardening of the microwires. Depending on the chemical composition of the metallic nucleus and on structural features (grain size, precipitating phases) nanocrystalline microwires can exhibit either soft magnetic properties or semi-hard magnetic properties. We demonstrated that the microwires with coercivities from 1 A/m to 40 kA/m can be prepared.

Since the discovery of the aggregation-induced emission effect in 2001, diaminodicyanoquinone derivatives (DADQs) have presented interesting fluorescence properties, allowing them to be considered fluorescent dyes capable of showing quantum yields above 90%. Besides, the diaminodiacyanoquinone core represents a versatile building block propense either to modification or integration into different systems to obtain and provide them unique photophysical features. Herein, we carried out a theoretical study on the fluorescence properties of three different diaminodicyanoquinodimethane systems. Therefore, time-dependent density functional theory (TD-DFT) was used to obtain the values associated with the dipole moments, oscillator strengths, and the conformational energies between the ground and the first excited states of each molecule. The results suggest that only two of the three studied systems possess significant luminescent properties. In a further stage, the theoretical insights were confirmed by means of experimental measurements, which not only retrieved the luminescence of the DADQs, but also suggest a preliminary and promising antibacterial activity of these systems.