The study presents the effect of annealing process parameters on the microstructure, hardness and strain hardening coefficients i.e., the strength coefficient c and the strain hardening exponent n, of 42CrMo4 steel. Seven selected annealing time-temperature schemes are examined for superior steel formability in cold metal forming conditions. The c and n coefficients are first determined in experimental upsetting of annealed samples and then used in FEM simulations of the upsetting process. The results demonstrate that the strain hardening coefficients (c and n) depend on the employed annealing scheme. Compared to the as-received sample, the annealing process reduces the true stress and effectively decrease the hardness of 42CrMo4 steel, improves microstructural spheroidization and, consequently, facilitates deformability of this material. The annealing schemes relying on heating the material to 750 °C and its subsequent slow cooling lead to the highest decrease in hardness ranging from 162 to 168HV. Results obtained with the SEM-EDS, LOM and XRD methods lead to the conclusion that the employed heat treatment schemes cause the initial ferritic-pearlitic microstructure to develop granular and semi-lamellar precipitation of cementite enriched with Mo and Cr in the ferrite matrix. In addition, the annealing process affects the growth of α-Fe grains. The highest cold hardening rate, and thus formability, is obtained for the annealing scheme producing the lowest hardness. The results of FEM simulations are positively validated by experimental results. Obtained results are crucial for further numerical simulations and experimental research connected with developing new cold metal forming methods for producing parts made of 42CrMo4 steel.

This article discuss the effects of heat treatment and lubrication modes on the machinability of an A356 alloy (Al-Si-Mg); the alloy is studied as-received, with solution heat-treated alloy (SHT) as well as with an alloy that is solution heat-treated and then aged at 155, 180 and 220 °C. In the course of machinability evaluation, several criteria including cutting force, surface roughness, tool wears and burr analysis (chip) were studied. The results and analysis in this work indicated that the selected machinability criteria are important and necessary to effectively evaluate the machinability of A356 alloys. The machinability of both materials and tools were estimated in terms of cutting force, chip thickness ratio and burr formation, flank wear and roughness. The effects of different cutting parameters (cutting speed and feed rate) and lubrication modes (dry, mist and wet) on the machinability of the A356 cast alloy were also examined. The influence of heat treatments on the burr formation and surface quality was clearly revealed by the experimental results. Experimental work revealed that cutting forces were influenced significantly by aging and cutting speed. However, the different aging at 155, 180, and 220 °C and the cutting speed significantly affected the machinability of the A356 cast alloy. The results obtained show that a better drilling performance in terms of surface quality occurs at a high feed rate, with dry drilling and artificial aging at T6.

Constitutive models for plastic deformation of metals are typically based on flow rules determining the transition from elastic to plastic response of a material as function of the applied mechanical load. These flow rules are commonly formulated as a yield function, based on the equivalent stress and the yield strength of the material, and its derivatives. In this work, a novel mathematical formulation is developed that allows the efficient use of machine learning algorithms describing the elastic-plastic deformation of a solid under arbitrary mechanical loads and that can replace the standard yield functions with more flexible algorithms. By exploiting basic physical principles of elastic-plastic deformation, the dimensionality of the problem is reduced without loss of generality. The data-oriented approach inherently offers a great flexibility to handle different kinds of material anisotropy without the need for explicitly calculating a large number of model parameters. The applicability of this formulation in finite element analysis is demonstrated, and the results are compared to formulations based on Hill-like anisotropic plasticity as reference model. In future applications, the machine learning algorithm can be trained by hybrid experimental and numerical data, as for example obtained from fundamental micromechanical simulations based on crystal plasticity models. In this way, data-oriented constitutive modeling will also provide a new way to homogenize numerical results in a scale-bridging approach.

In this paper, we present a preliminary study and conceptual idea concerning 3D printing water-sensitive glass by exemplifying with a borosilicate glass with high alkali and alkaline oxide contents using direct ink writing. The investigated material was prepared in the form of a glass frit, which was further ground in order to obtain a fine powder of desired particle size distribution. In a following step, inks were prepared by mixing the fine glass powder with Pluoronic F-127 hydrogel. The acquired pastes were rheologically characterized and printed using a Robocasting device. DSC experiments were performed for base materials and the obtained green bodies. After sintering, SEM and XRD analyses were carried out in order to examine microstructure and the eventual presence of crystalline phase inclusions. Results confirmed that obtained inks exhibit stable rheological properties despite the propensity of glass to undergo hydrolysis and could be adjusted to desirable values for 3D printing. No additional phase was observed, supporting the suitability of the designed technology for the production of water sensitive glass inks. SEM micrographs of the sintered samples revealed the presence of closed porosity, which may be the main reason of light scattering.

Constitutive models for plastic deformation of metals are typically based on flow rules determining the transition from elastic to plastic response of a material as function of the applied mechanical load. These flow rules are commonly formulated as a yield function, based on the equivalent stress and the yield strength of the material, and its derivatives. In this work, a novel mathematical formulation is developed that allows the efficient use of machine learning algorithms describing the elastic-plastic deformation of a solid under arbitrary mechanical loads and that can replace the standard yield functions with more flexible algorithms. By exploiting basic physical principles of elastic-plastic deformation, the dimensionality of the problem is reduced without loss of generality. The data-oriented approach inherently offers a great flexibility to handle different kinds of material anisotropy without the need for explicitly calculating a large number of model parameters. The applicability of this formulation in finite element analysis is demonstrated, and the results are compared to formulations based on Hill-like anisotropic plasticity as reference model. In future applications, the machine learning algorithm can be trained by hybrid experimental and numerical data, as for example obtained from fundamental micromechanical simulations based on crystal plasticity models. In this way, data-oriented constitutive modeling will also provide a new way to homogenize numerical results in a scale-bridging approach.

Lamellar eutectic structure of Al_0.7CoCrFeNi high-entropy alloy (HEA) is emerging as a promising candidate for structural applications because of its high strength-ductility combination. The alloy consists of a fine-scale lamellar fcc+B2 microstructure with high flow stresses >1500 MPa under quasi-static conditions. The response to shear loading was not investigated so far. This is the first report on the shear deformation of an eutectic structured HEA and effect of precipitation on shear deformation. The dynamic shear response (DSR) of the eutectic HEA was examined in two microstructural conditions, with and without the presence of L1₂ precipitates. A split-Hopkinson pressure bar (SHPB) was used to compress the hat-shaped specimens to study the local DSR of the alloy. The adiabatic shear bands (ASBs) in two different microstructural conditions were characterized after deformation at dynamic strain rates. The adiabatic shear localization occurs at low strains for the high strength material, and the eutectic microstructure does not delay cracking. The width of ASBs and the extent of plastic deformation around them has been correlated with the rate of straining. Dynamic recrystallization within ASBs and profuse twinning around it was observed. Local mechanical response of individual lamellae before and after shear deformation was examined using nano-indentation.

The article describes synthesis of aminoorgano-functionalized silica as a perspective material for catalysis application. The amino groups have electron donor properties valuable for metal chemical state of palladium. So presence of electron donor groups is important for increasing of catalysts stability. The research is devoted to investigation of silica amino-modified support influence on activity and stability of palladium species in 4-nitroaniline hydrogenation process. A series of catalysts with different supports such as SiO2, SiO2-C3H6-NH2 (amino-functionalized silica), γ-Al2O3 and activated carbon were studied. The catalytic activity was studied in the hydrogenation of 4-nitroaniline to 1,4-phenylenediamine. The catalysts were characterized by scanning electron microscopy, transmission electron microscopy, x-ray photoelectron spectroscopy, Fourier transform infrared spectroscopy and pulse chemisorption of hydrogen. The 5 wt. % Pd/SiO2-C3H6-NH2 catalyst exhibited the highest catalytic activity for 4-nitroaniline hydrogenation with 100% conversion and 99% selectivity with respect to 1,4-phenylenediamine.

The paper introduces a valuable new description of fatigue strength in relation to material properties and thus a new perspective on the overall understanding of the fatigue process. Namely, a relation between the endurance limits and the accompanying values of the critical resolved shear stress (CRSS) for various metallic materials has been discovered by means of a multiscale approach for fatigue simulation. Based on the uniqueness of the relation, there is a strong indication that it is feasible to relate the endurance limit to the CRSS, and not to the ultimate strength as often done in the past.

In-situ grown C_0.3N_0.7Ti and SiC, which derived from non-oxide additives Ti₃SiC₂, are proposed to densify silicon nitride (Si₃N₄) ceramics with enhanced mechanical performance. Remarkable increase of density from 79.20% to 95.48% could be achieved for Si₃N₄ ceramics with 5vol% Ti₃SiC₂. The capillarity of decomposed Si from Ti₃SiC₂, and in-situ reaction between nonstoichiometric TiC_x and Si₃N₄ were believed to be responsible for densification of Si₃N₄ ceramics. An obvious enhancement of flexural strength and fracture toughness for Ti₃SiC₂ doped Si₃N₄ ceramics was observed. The maximum flexural strength of 795 MPa for Si₃N₄ composites with 5vol% Ti₃SiC₂ and maximum fracture toughness of 6.97 MPa^.m^1/2 for Si₃N₄ composites with 20vol% Ti₃SiC₂ are achieved when mixed powders are hot-press sintered at 1700℃. Pull out of elongated Si₃N₄ grains, crack bridging, crack branching and crack deflection were demonstrated to dominate enhance fracture toughness of Si₃N₄ composites.

Sulphuric acid is a widely used raw material in the chemical industry. Its corrosive effect on materials varies considerably, depending on impurities, temperature and water content. Accordingly, good corrosion resistance under all conditions is very difficult to achieve. This is especially an issue for micro process apparatus with very thin walls. Furthermore, such devices are often joint by diffusion bonding what may alter materials properties due to high temperatures and long dwell times. In fact, for each new material, the diffusion bonding parameters must be optimized and the impact on mechanical as well as corrosion properties must be investigated. In this paper, two high molybdenum alloys, namely Hastelloy B3 and BC-1, were evaluated. Diffusion bonding tests were performed using ten layers of sheet material in between round stock. Corrosion tests were performed in 70 % sulphuric acid at 100°C for 1000 h. Tensile tests on both alloys were carried out for different material conditions, to determine the change in mechanical strength and elongation at fracture values. In general, independent of the condition of the materials, the fracture behavior of both alloys was found to be ductile and the specimens show the typical dimple structure, in the case of diffusion bonded samples, interrupted by weak spots or rather non-bonded areas. These areas are obviously causing the onset of material failure and thus, a degradation of mechanical properties. Tensile samples, that were aged in 70% sulphuric acid at 100°C for 1000 hours showed local corrosion attacks at the grain boundaries at the circumferential surfaces and especially at the joining planes – for Hastelloy B3 much more pronounced than for Hastelloy BC-1. Accordingly, a further decrease of both, the stress- and elongation at fracture values is observed. However, the typical material parameters like 0.2 % yield strength used for dimensioning components are found to be sufficient high, even when operating the materials under such harsh conditions. When concluding the results, at least Hastelloy BC-1 reveals both sufficient good mechanical properties and an excellent corrosion resistance, regardless of the heat treatment, and could be considered for manufacturing micro-process engineering apparatuses operated in a sulphuric acid environment. This is a significant advance compared to the results obtained within a AiF project, previously carried out on four different materials to investigate the corrosion resistance in sulphuric acid.

To design and optimize liquid-assisted processes such as reactive infiltration for fabricating refractory SiC/ZrSi₂ composites, basic investigations on the interfacial phenomena occurring when liquid Si-based alloys are in contact with C and SiC substrates, are key steps. Indeed, targeted wettability studies may provide helpful indications for finding the suitable set of operating conditions to succeed the fabrication of composites via the reactive infiltration and for predicting the key influencing mechanisms. The wettability of glassy carbon (GC) by two different Si-rich Si-Zr alloys as a function of the Si-content has been investigated by the sessile drop method at T = 1450°C. The more relevant results obtained in terms of equilibrium contact angle values, spreading kinetics, reactivity and developed interface microstructures are reported in the paper and compared with the behaviour previously observed in the Si-27Zr/GC system. The increase of Si-content only weakly affected the overall phenomena observed at the interface, which from the practical point of view means that even the Si-Zr alloys with higher Si-content, as respect to the eutectic alloy (Si-27Zr), could be potentially used as infiltrant materials.

In this paper, the effect of preheating on the mechanical properties and micro structure of similar friction stir welded AA6061 aluminum alloys sheets was investigated. Aluminum alloy 6061 sheets with a thickness of 5 mm and threaded cylindrical pins were used. Rotation and traverse speeds were 1200 rpm and 75 mm/min, respectively. The results of tensile tests performed on the welded samples showed that compared to the non-preheated samples, preheating had increased the strength and elongation of the joints by 58% and 46%, respectively. In the present study, during the welding process preheating cause emerged heat with lower slope from stir zone. This phenomenon may result in Increase the deformation resistance of material and consequently decrease of grain size. This grain refinement can improve the mechanical properties of welds. Accordingly, hardness and strength of the material will be increased.

The ever-rising demands for energy dense electrochemical storage systems have been driving interests in beyond Li-ion batteries such as those based on lithium and magnesium metals. These high energy density batteries suffer from several challenges, several of which stem from the flammability/volatility of the electrolytes and/or instability of the electrolyte with either the negative, positive electrode or both. Recently, hydride-based electrolytes have been paving a path towards overcoming these issues. Namely, highly performing solid state electrolytes have been reported and several key challenges in multivalent batteries were overcome. In this review, the classes of hydride-based electrolytes reported for energy dense batteries are discussed. Future perspectives are presented to guide research directions in this field.

In this work, the Ni/Ti/Nb multilayer composite was successfully manufactured by accumulative pack-roll bonding. The microstructure evolution and mechanical properties of the composite during the accumulative roll bonding (ARB) process were investigated by scanning electron microscopy(SEM), energy dispersive spectrometer(EDS), transmission electron microscopy (TEM), micro-hardness and tensile tests. The results showed that after 5 passes of the ARB process, the deformations of layers were relatively uniform, and no large number of interlayer fractures occurred. The microstructures of Ni and Ti were both equiaxed grains with a grain size of 200 nm and 150 nm, respectively, and finer equiaxed grains of the Ni layer were observed at the interface. The laminar structure of Nb layer was observed. The tensile strength and micro-hardness increased significantly as the number of ARB increased. After 5 passes of the ARB process, the tensile strength of the composite reached 792.3 MPa, and the micro-hardness of Ni, Ti, and Nb were increased to 270.2, 307.4, and 243.4 HV, respectively.

Galectin-3 is considered a cancer biomarker and bioindicator of fibrosis and cardiac remodeling, and, therefore, it is desirable to develop convenient methods for its detection. Herein, an approach based on the development of multivalent electrochemical probes with high galectin-3 sensing abilities is reported. The probes consist of multivalent presentations of lactose–ferrocene conjugates scaffolded on poly(amido amine) (PAMAM) dendrimers and gold nanoparticles. Such multivalent lactose–ferrocene conjugates are synthesized by coupling of azidomethylferrocene-lactose building blocks on alkyne-functionalized PAMAM, for the case of the glycodendrimers, and to disulfide‐functionalized linkers that are then used for the surface modification of citrate-stabilized gold nanoparticles. The binding and sensing abilities towards galectin 3 of both ferrocene-containing lactose dendrimers and gold nanoparticles have been evaluated by means of isothermal titration calorimetry, UV-vis spectroscopy, and differential pulse voltammetry. The highest sensitivity by electrochemical methods to galectin-3 was shown by lactosylferrocenylated gold nanoparticles, which are able to detect the lectin in nanomolar concentrations.

This article discuss the effects of heat treatment on the machinability of Al-Si-Mg alloys (A356) cast alloys for as-received alloy, solution heat-treated alloy (SHT) as well as solution heat treated and then aged alloys at 155ºC, 180ºC, and 220ºC. In the course of machinability evaluation, several criteria including cutting force, surface roughness, tool wears and burr analysis (chip) were studied. The results and analysis in this work indicated that selected machinability criteria are important and necessary to effectively evaluate the machinability of A356 alloys. Machinability of both materials and tool was estimated in terms of chip thickness ratio and burr formation, roughness, cutting force and flank wear. The effects of various lubrication modes such as dry, mist and wet, cutting parameters, including cutting speed and feed rate on the machinability of A356 cast alloys were also examined. Experimental results proves that the heat treatment parameters strongly controlling the burr formation and surface quality. The results obtained indicate that better drilling performance in terms of surface quality occurs at high feed rate, dry drilling and artificial aging at T6.

The garnet Li₇La₃Zr₂O₁₂ (LLZO) has been widely investigated because of its high conductivity, wide electrochemical window and chemical stability to lithium metal. However, the usual preparation process of LLZO requires a long time of high-temperature sintering and a lot of mother powders against the lithium evaporation. The submicron Li₆.6La₃Zr₁.6Nb₀.4O₁₂ (LLZNO) powders are prepared by conventional solid-state reaction method and attrition milling process, which are stable cubic phase and have high sintering activity, and Li stoichiometric LLZNO ceramics are obtained by sintering at a relative lower temperature or for a short time by using these powders which are difficult to control under high sintering temperature and long sintering time. The particle size distribution, phase structure, microstructure, distribution of element, total ionic conductivity, relative density and activation energy of submicron LLZNO powders and LLZNO ceramics are tested and analyzed by laser diffraction particle size analyzer, XRD, SEM, EIS and Archimedean method. The total ionic conductivity of sample sintered at 1200 °C for 30 min is 5.09 × 10-4 S·cm-1, the activation energy is 0.311 eV, and the relative density is 87.3%, and sintered at 1150 °C for 60 min total ionic conductivity is 3.49 × 10-4 S·cm-1, the activation energy is 0.316 eV, and the relative density is 90.4%. At the same time, all-solid-state batteries are assembled with LiMn₂O₄ as positive electrode and submicron LLZNO powders as solid state electrolyte. After 50 cycles, the discharge specific capacity is 105.5 mAh/g and the columbic efficiency is above 95%.

A galvalume corrugated sheet was utilized as formwork for a reinforced concrete beam in flexure. A numerical model was validated to the experimentally obtained data, and further adopted to simulate the behavior of this composite structure under elevated temperatures. The properties and constitutive stress-strain data of the basic materials were obtained from experiments, and superimposed into the finite element model. The study concluded that the load carrying capacity of the member decreased as a direct function on temperature increase, and the cracking moment was very sensitive to the temperature fluctuation. The elevated temperatures also altered the failure mode.

Lithium-rich layered oxides is one of the most perspective candidates for cathode materials of lithium ion battery, because of its high discharge capacity. However, there are some disadvantages of uneven composition, voltage decay, and poor rate capacity, which are closely related to the preparation method. Here, 0.5Li2MnO3·0.5LiMn0.8Ni0.1Co0.1O2 were successfully prepared by sol-gel and oxalate co-precipitation methods. A systematic analysis of the materials shows that the 0.5Li2MnO3·0.5LiMn0.8Ni0.1Co0.1O2 prepared by the oxalic acid co-precipitation method has the most stable layered structure and the best electrochemical performance. The initial discharge specific capacity is 261.6 mAh·g-1 at 0.05 C, and the discharge specific capacity is 138 mAh·g-1 at 5 C. The voltage decay is only 210 mV, and the capacity retention is 94.2% after 100 cycles at 1 C. The suppression of voltage decay can be attributed to the high nickel content and uniform element distribution. In addition, tightly packed porous spheres help to reduce lithium ion diffusion energy and improve the stability of the layered structure, thereby improving cycle stability and rate capacity. This conclusion provides a reference for designing high energy density lithium-ion batteries.

Li-rich layered oxide cathode materials have become one of the most promising cathode materials for high-energy-density lithium-ion batteries owning to its high theoretical specific capacity, low cost, high operating voltage and environmental friendliness. Yet they suffer from severe capacity and voltage attenuation during prolong cycling, which blocks their commercial application. To clarify these causes, we synthesize 0.5Li2MnO3·0.5LiNi0.8Co0.1Mn0.1O2 (LL-811) with high-nickel-content cathode material by a solid-sate complexation method, and it manifests a lot slower capacity and voltage attenuation during prolong cycling compared to LL-111 and LL-523 cathode materials. The capacity retention at 1C after 100 cycles reaches to 87.5% and the voltage attenuation after 100 cycles is only 0.460 V. Combining X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM), it indicates that increasing the nickel content not only stabilizes the structure but also alleviates the attenuation of capacity and voltage. Therefore, it provides a new idea for designing of Li-rich layered oxide cathode materials that suppress voltage and capacity attenuation.

Copper-based nanoparticles were synthesized using the glycine–nitrate process (GNP) by using copper nitrate trihydrate [Cu(NO₃)₂‧3H₂O] as the main starting material and glycine [C₂H₅NO₂] as the complexing and incendiary agent. The as-prepared powders were characterized through X-ray diffraction (XRD), Brunauer–Emmett–Teller (BET) analysis, X-ray photoelectron spectroscopy, and scanning electron microscopy. Using Cu(NO₃)₂.3H₂O as the oxidizer (N) and glycine as fuel (G), we obtained CuO, mixed-valence copper oxides (CuO + Cu₂O, G/N = 0.3–0.5), and metallic Cu (G/N = 0.7). The XRD and BET results indicated that increasing the glycine concentration (G/N = 0.7) and reducing particle surface area increased the yield of metallic Cu. The effects of varying reaction parameters such as catalyst activity, catalyst dose, and H₂O₂ concentration on nonylphenol-9-polyethoxylate (NP9EO) degradation were assessed. With a copper‐based catalyst in a heterogeneous system, the NP9EO and total organic carbon removal efficiencies were 83.1% and 70.6%, respectively, under optimum operating conditions (pH, 6.0; catalyst dose, 0.3 g/L; H₂O₂ concentration, 0.05 mM). The results suggested that removal efficiency increased with an increase in H₂O₂ concentration but decreased when the H₂O₂ concentration exceeded 0.0.5 mM. Furthermore, the trend of photocatalytic activity was as follows: G/N = 0.5 > G/N = 0.7 > G/N = 0.3. The G/N = 0.5 catalysts showed the highest photocatalytic activity and resulted in 94.6% NP9EO degradation in 600 min.

Geometallurgy has become an important toll to predict the process behavior of the ores, and to decrease the production risks cause by variability of geological settings. In this paper geometallurgical index for grinding properties of the ore has investigated. In a comprehensive research at Sarcheshmeh porphyry copper mine, geological features, what were supposed to affect the main process responses including product’s grade-recovery, and plant’s throughput, were subjected to investigate as the possible geometallurgical indexes. The rock breakage variability, in terms of a ball mill grinding circuit and its effects on the plant throughput and energy consumption are presented. Ninety samples were collected based on geological features including lithology, hydrothermal alteration, and geological structures. The samples were characterized using XRD, XRF, and electron and optical microscopy. A simulated test method for Bond ball mill work index (BWI) was used to perform the comminution test. The results showed BWI values vary from 5.67 kWh/t to 20.21 kWh/t. Examination of the possible correlations between BWI and the geological features showed that the key geological feature related to comminution variability is lithology. In addition, the hydrothermal alteration would be an effective parameter in the period that the plant is fed with a single lithology

Molecular dynamics simulations were carried out to investigate the atomic structure of a model Cu64Zr36 bulk metallic glass (BMG). It is found that the amount of icosahedral content of the system is significantly increased in a well relaxed structure. While we considered four connection types of vertex-, edge-, face-, and volume-sharing, the huge cluster in the relaxed samples mainly involve volume-type connection and exhibits a remarkable athermal plasticity that great stiffness and great yield strength compared to the as-quenched samples. In addition, the bond-angle distribution of annealed sample shows sharp peaks at specific bond angles which is an evidence of crystallized Laves-phase formed by icosahedral atoms, however the peaks are to be broaden after loading, which indicates decreasing amount of icosahedral content and their shape distortion. These results suggest that icosahedral content in a bulk metallic glasses plays a key role to determine the mechanical properties such as rigidity and maximum stress carrying capacity.

Synthetic chalcomenite-type cupric selenite CuSeO₃∙2H₂O has been studied at room temperature under compression up to pressures of 8 GPa by means of single-crystal X-ray diffraction, Raman spectroscopy, and density-functional theory. According to X-ray diffraction, the orthorhombic phase undergoes an isostructural phase transition at 4.0(5) GPa with the thermodynamic character being first-order. This conclusion is supported by Raman spectroscopy studies which have detected the phase transition at 4.5(2) GPa and by the first-principles computing simulations. The structure solution at different pressures has provided information on the change with pressure of unit-cell parameters as well as on the bond and polyhedral compressibility. A Birch-Murnaghan equation of state has been fitted to the unit-cell volume data. We found that chalcomenite is highly compressible with a bulk modulus of 42 – 49 GPa. The possible mechanism driving changes in the crystal structure is discussed, being the behavior of CuSeO₃∙2H₂O mainly dominated by the large compressibility of the coordination polyhedron of Cu. On top of that, an assignation of Raman modes is proposed based upon density-functional theory and the pressure dependence of Raman modes discussed. Finally, the pressure dependence of phonon frequencies is also reported.

In this paper, the catalytic combustion of DMDS (dimethyl disulfide, CH₃SSCH₃) over bimetallic supported catalysts were investigated. It was confirmed that Cu/γ-Al₂O₃-CeO₂ showed best catalytic performance among the five single-metal catalysts. Furthermore, six different metals were separately added into Cu/γ-Al₂O₃-CeO₂ to investigate the promoting effect. The experiments revealed Pt as the most effective promoter and the the best catalytic performance was achieved as the adding amount of 0.3 wt%. The characterization results indicated that high activity and resistance to sulfur poisoning of Cu-Pt/γ-Al₂O₃-CeO₂ could be attributed to the synergistic effect between Cu and Pt.

Fiber-cement composites were prepared from cellulosic cotton residue (CCR) arise from sanding process (emerizing). The effect of different concentrations: 0.5% and 1%, and granulometry: thick (retained in a14 mesh sieve) and thin (retained in a 48 mesh sieve) of this residue were evaluated on tensile strength of cement slurries with seven (07) curing days. To characterize the CCR, TGA, FT-IR, SEM and XRD analysis were performed and the residue resistance in an alkaline environment was also evaluated. Splitting tensile strength test, known as Brazilian Test, was used to assess effects of the fibers on the mechanical behavior of cement matrix. Analyzing the results, the CCR proved to be resistant in an alkaline environment, meaning that it can withstand the alkaline environment of cement matrix. The results showed an improvement superior to 17% in tensile strength for 1% of CCR. Therefore, the CCR presents a great application potential in cement pastes used for oil well cementing that requires to increase its tensile strength, once a significant improvement was achieved with a low-residue employee.

SiC is a material with excellent mechanical and thermal properties, but with a high production cost. Obtaining SiC by reactive infiltration is an attractive method and at a much lower cost than the traditional sintering process. However, the reactive infiltration process presents a serious problem, which is the high residual silicon content, which decreases its range of application. The replacement of silicon with silicides is a widely used alternative. The present investigation shows the good mechanical properties of the SiC/IrSi₃ composite material obtained by reactive infiltration of SiC/C preforms with Ir-Si alloys. The thermomechanical analysis shows a high compatibility of silicide with SiC. The presence of the silicide shows a substantial improvement against the oxidation of the SiC/Si composites.

Indonesia is one of the largest banana producing countries in the world remaining abundance solid waste of banana fruit bunch. The banana fruit bunch contains high natural fibers which were obtained by an impregnation process using potassium hydroxide (KOH) and followed by a carbonization process under steam at 250°C for 5 h. The nanomaterial of TiO₂/fibre was prepared by a hydrothermal process at 200°C for 4 h. Surface morphology proved that the TiO₂ was loaded into the fibre by an increasing roughness of the surface and irregular size of porosity. The development of amorphous to crystalline phase of TiO₂/fibre was clearly observed. The effectiveness of TiO₂/fibre for removal of rhodamine B was investigated from different parameters of adsorptions in aqueous solution. The equilibrium adsorptions show that the Langmuir and Freundlich isotherm exhibited the best correlation coefficient (R² > 0.94) relating to the chemisorption and physisorption interaction in the adsorption process. Kinetic models were well described by the pseudo-first and second-order with the best correlation coefficient (R² > 0.99). These results indicate that nanomaterial TiO₂/fibre can be used as an effective adsorbent for removal of rhodamine B in aqueous solution.

Polymer-based composites reinforced with nanocarbonaceous materials can be tailored for functional applications. Poly(vinylidene fluoride) (PVDF) reinforced with carbon nanotubes (CNT) or graphene with different filler contents have been developed as potential piezoresistive materials. The mechanical properties of the nanocomposites depend of the PVDF matrix, filler type and filler content. PVDF 6010 is a relatively more ductile material, whereas PVDF-HFP shows larger maximum strain near 300% strain for composites with CNT, 10 times higher than the pristine polymer. This behaviour is similar for all composites reinforced with CNT. On the other hand, rGO/PVDF composites decrease the maximum strain compared to neat PVDF. It is shown that the use of different PVDF copolymers does not influence the electrical properties of the composites. On the other hand, CNT as filler leads to composites with percolation threshold around 0.5 wt.%, whereas reduced graphene oxide (rGO) nanocomposites shows percolation threshold at ≈2 wt.%. Both nanocomposites present excellent linearity between applied pressure and resistance variation, with pressure sensibility (PS) decreasing with applied pressure, from PS≈ 1.1 to 0.2 MPa^-1. A proof of concept demonstration is presented, showing the suitability of the materials for industrial pressure sensing applications.

We present organic, diamagnetic materials based on structurally simple (hetero-) tolane derivatives. They form crystalline thin-film aggregates that are suitable for Faraday rotation (FR) spectroscopy. The resulting new materials are characterized appropriately by common spectroscopic (NMR, UV-Vis), microscopy (POM), and XRD techniques. The spectroscopic studies give extremely high FR activities thus makes these materials promising candidates for future practical applications. Other than a proper explanation, we insist in the complexity of designing efficient FR materials starting off from single molecules.

During quasi-stationary tensile deformation of ultrafine-grained Cu-0.2 mass%Zr at 673 K and a deformation rate of about 10⁻⁴ s⁻¹ load changes were performed. Relative load reductions by more than about 25% to relative loads R < 0.75 initiate anelastic back flow. Subsequently the creep rate turns positive again and goes through a relative maximum. This is interpreted by a strain rate contribution ε ̇− from recovery of dislocations. Back extrapolation indicates that ε ̇− contributes about (20 ± 10)% to the quasi-stationary strain rate. The stress dependences of the recovery-strain rate ε ̇− and the rate ε ̇+ related with generation and storage of dislocations are discussed in terms of thermally activated processes characterized by different kinetics.

Understanding the stability limit of crystalline materials under variable tensile stress conditions is of capital interest for their technological applications. In this study, we present results from first-principles density functional theory calculations that quantitatively account for the response of selected covalent and layered materials to general stress conditions. In particular, we have evaluated the ideal strength along the main crystallographic directions of 3C and 2H polytypes of SiC, hexagonal ABA stacking of graphite and 2H-MoS2. Transverse superimposed stress on the tensile stress was taken into account in order to evaluate how the critical strength is affected by these multi-load conditions. In general, increasing transverse stress from negative to positive values leads to the expected decreasing of the critical strength. Few exceptions found in the compressive stress region correlate with the trends in the density of bonds along the directions with the unexpected behavior. In addition, we propose a modified spinodal equation of state able to accurately describe the calculated stress-strain curves. This analytical function is of general use and can also be applied to experimental data anticipating critical strengths and strains values and providing informattion on the energy stored in tensile stress processes.

The effects of the dielectric constant of the powder phase on lead zirconate titanate (PZT)/PZT sol-gel composite films were investigated to tailor their electrical properties. Three types of PZT powders were used to fabricate three different PZT/PZT sol-gel composite films. The PZT powders had the same electromechanical coupling coefficient but different relative dielectric constants. The PZT/PZT films were fabricated on a 3 mm-thick titanium substrate using an automatic spray coating system, and their properties were investigated. The relative dielectric constants of the PZT/PZT films were successfully controlled by tailoring the properties of the PZT powder phase. However, the piezoelectric constants showed a tendency different to those of the raw powders, because of the poor poling degree. This was overcome by conducting poling at a high temperature.

Li₂MnO₃ is critical component in the well-studied Li-excess cathode materials xLi₂MnO₃•(1- x)LiMO₂ for achieving high lithium storage capacity. In this article, the diffusion of Li ions in Li₂MnO₃ is studied using molecular dynamics (MD) simulation with well-behaved empirical force fields obtained by fitting against the crystal structure from experiment and phonons calculated using Density Function Theory (DFT). We have found two possible tetrahedral hopping channels, 0-TM and 1-TM(Mn⁴⁺) channel, which are differentiated by the face sharing octahedral cations. Simulation results show that the 0-TM channel is active for Li hopping, while 1-TM(Mn4+) channel is inactive. During the delithiation process, the Li ions in the TM layered are firstly removed, then those in the Li layer. However, the Li ions will be trapped in the tetrahedral 0-TM channels as long as the four face sharing octahedral sites are cleared. Up to x=1.0 for Li₂-xMnO₃, almost all the Li ions are located at the tetrahedral sites, forming a regular array along a axis. The de-intercalation of tetrahedral Li ions requires a high voltage (>5.2 V vs. Li/Li+), limiting the practical capacities measured in lab. The diffusion of Mn ions into the Li layers is observed in a deeper delithiated structure (x=1.2 for Li₂-xMnO₃), indicating an initial phase transformation to a spinel-like structure. However, the Mn ions are mainly trapped in the tetrahedral sites in the Li layer, instead of the octahedral sites fin spinel-like structure. A few of Mn ions diffusing into the octahedral sites in Li layers have no face sharing tetrahedral Li ions, revealing a further Li de-intercalation is imperative for the complete phase transformation. Our model is not stable for x≥1.4 in Li₂-xMnO₃. Other charge compensation mechanism should be considered in this high delithiation stage, eg. oxygen release.

The influence of the grain structure on the tensile deformation strength is studied for precipitation-strengthened Cu-0.2%Zr at 673 K. Subgrains and grains are formed by ECAP and annealing. The fraction of high-angle boundaries increases with prestrain. Subgrains and grains coarsen during deformation. This leads to softening in the quasi-stationary state. The initial quasi-stationary state of severely predeformed, ultrafine-grained material exhibits relatively high rate-sensitivity at relatively high stresses. This is interpreted as result of the stress dependences of the quasi-stationary subgrain size and the volume fraction of subgrain-free grains.

The microstructures and mechanical properties of the hot-rolled Fe-6.5wt.%Si sheet are analyzed. The microstructure of the hot-rolled sheet is layered along the thickness direction. The surface exhibits fine and equiaxed grains, whereas the center part shows coarse and elongated grains with a <101> fiber texture along the rolling direction. Serrated flow behavior is observed during tensile deformation of both the hot-rolled sheet and its center samples at 350 °C; thus, the serrated flow of the hot-rolled sheet is mainly attributed to the serration of the center part. The analyses of dislocation configurations, ordered structures, and crystal orientation show that the serrated flow behavior results from the interaction of solutes with mobile dislocations. Mobile dislocations are pinned by combining parallel forest dislocations with the pipe diffusion of solution atoms. This study provides a new perspective for the deformation mechanism of the Fe-6.5wt.%Si alloy.

Synthesis and characterization of anhydrous LiZn(IO₃)₃ powders prepared from an aqueous solution are reported. Morphological and compositional analyses were carried out by scanning electron microscopy and energy dispersive X-ray measurements. The synthesized powders exhibit a needle-like morphology after annealing at 400°C. A crystal structure for the synthesized compound has been proposed from powder X-ray diffraction and density-functional theory calculations. Rietveld refinements led to a monoclinic structure, which can be described with space group P21, number 4, and unit-cell parameters a = 21.874(9) Å, b = 5.171(2) Å, c = 5.433(2) Å, and beta = 120.93(4)º. Density-functional theory calculations supported the same crystal structure. Infrared spectra were also collected and the vibrations associated to the different modes discussed. The non-centrosymmetric space group determined for this new polymorph of LiZn(IO₃)₃, the characteristics of its infrared absorption spectrum, and the observed second harmonic generation suggest a promising infrared non-linear optical material.

Random copolymers made of both (PIM-polyimide) and (6FDA-durene-PI) were prepared for the first time by a facile one-step polycondensation reaction. By combining the highly porous and contorted structure of PIM (polymers with intrinsic microporosity) and high thermomechanical properties of PI (polyimide), the membranes obtained from these random copolymers [(PIM-PI)x-(6FDA-durene-PI)y] showed high CO₂ permeability (> 1047 Barrer) with moderate CO₂/N₂ (> 16.5) and CO₂/CH₄ (> 18) selectivity, together with excellent thermal and mechanical properties. The membranes prepared from three different compositions of two comonomers (1:4, 1:6 and 1:10 of x:y), all showed similar morphological and physical properties, and gas separation performance, indicating ease of synthesis and practicability for large-scale production. The gas separation performance of these membranes at various pressure ranges (100–1500 torr) was also investigated.

700 MPa grade Ti and Nb-Ti microalloyed steels produced by thermo-mechanical control rolled processes (TMCP) were studied to elucidate texture that contributes to delamination and consequent impact toughness. The microstructure of Ti and Nb-Ti steels consisted of ferrite and bainite. Compared with Ti steel, Nb-Ti steel was characterized by a microstructure with finer ferrite and more bainite. The results from tensile and impact tests indicated that there is insignificant change in tensile properties, but toughness was greater in Nb-Ti steel compared with Ti steel. More severe delamination in Nb-Ti steel is attributed to stronger α-fiber (RD ||<110>) texture than Ti steel, especially {100}<110>, {113}<110> and {112}<110> texture. Typical cleavage river patterns were not observed on delaminated fracture surface, instead the cleavage fracture surface indicated some dimples. Interestingly, the impact energy of samples with delamination was greater than samples without delamination in the ductile–brittle transition region. The study suggests that delamination in the ductile–brittle transition zone may also be representative of high toughness.

This paper describes a new approach that can be used to determine the mechanical properties of unknown materials and complex material systems. The approach uses inverse finite element modelling (FEM) accompanied with a designed algorithm to obtain the modulus of elasticity, yield stress and strain hardening material constants of an isotropic hardening material model, as well as the material constants of the Drucker-Prager material model (modulus of elasticity, cap yield stress and angle of friction). The algorithm automatically feeds the input material properties data to finite element software and automatically runs simulations to establish a convergence between the numerical loading-unloading curve and the target data obtained from continuous indentation tests using common indenter geometries. A further module was developed to optimise convergence using an inverse FEM analysis interfaced with a non-linear MATLAB algorithm. A sensitivity analysis determined that the dual Spherical and Berkovich (S&B) approach delivered better results than other dual indentation methods such as Berkovich and Vickers (B&V) and Vickers and Spherical (V&S). It was found that better convergence values can be achieved despite a large variation in the starting parameter values and / or material constitutive model and such behaviour reflects the uniqueness of the dual S&B indentation in predicting complex material systems. The study has shown that a robust optimization method based on a non-linear least-squares curve fitting function (LSQNONLIN) within MATLAB and ABAQUS can be used to accurately predict a unique set of elastic plastic material properties and Drucker-Prager material properties. This is of benefit to the scientific investigation of properties of new materials or obtaining the material properties at different location of a part which might be not be similar due to manufacturing processes (e.g. different heating and cooling rates at different locations).

A new strategy to nanoengineer gold/fluorocarbon multilayer (ML) nanostructures is reported. We have investigated the morphological changes occuring at the metal-polymer interface in multilayer structures with varying volume fraction of gold (Au) and the kinetic growth aspect of the microscale properties of nano-sized Au in plasma polymer fluorocarbon (PPFC). Investigations were carried out at various temperatures and annealing time by means of grazing incidence small-angle and wide-angle X-ray scattering (GISAXS and GIWAXS). We have fabricated a series of multilayers with variying volume fraction (0.12, 0.27, 0.38) of Au and bilayer periodicity in ML structure. They show an interesting granular structure consisting of nearly spherical shaped nanoparticles within the polymer layer. The nanoparticle (NP) morphology changes due to the collective effects of NPs diffusion within ensembles in the in-plane vicinity and inter-layer with increasing temperature. The in-plane NPs size distinctly increases (from 1.9 to 4 nm) with increasing temperature. The NPs become more spherical thus reducing the surface energy. Linear growth of NPs with temperature and time shows diffusion-controled growth of NPs in the ML structure. The structural stability of the multilayer is controlled by the volume ratio of the metal in polymer. At room temperature UV-Vis shows a blueshift of the plasmon peak from 560 nm in ML Au/PTFE_1 to 437 nm in Au/PTFE_3. We have identified the fabrication and post-deposition annealing conditions to limit the Local Surface Plasmon resonance (LSPR) shift (from 〖∆λ〗_LSPR=180 nm (Au/PTFE_1) to 〖∆λ〗_LSPR=67 nm (Au/PTFE_3 ML)) and their optical response over a wide visible wavelength range. A variation in the dielectric constant of the polymer in precence of varying Au inclusion is found to be the main factor affecting the LSPR frequency. Our finding may provide insights in Nano engineering ML structure can be useful to systematically control the growth of NPs in polymer matrix.

The manufacture of SiC-based composites is quite widespread, and currently different methods are employed for to produce them. The most efficient method, taking into account the cost/performance ratio, is reactive melt infiltration. It consists in infiltrating liquid silicon into a porous preform that must contain carbon, so that SiC is produced during infiltration. This chemical reaction is, in fact, the driving force of the process. In the present work, the synthesis of two SiC-based composite materials with very different applications and microstructures has been studied and optimized. In both cases, materials have been obtained with suitable properties for the selected applications. One of the materials studied is SiCp/Si for protection systems such as armor jackets, and the other one is Cf/SiC for use in braking systems. For the optimization, the dwell time and the atmosphere (Ar or primary vacuum) were used as variables. It has been found that in both preforms the optimum conditions are 1 hour dwell time and a vacuum atmosphere at 1450 °C. The effect of these parameters on microstructure and infiltration kinetics are discussed.

Materials design for processing and application requires fundamental understanding of their properties based interatomic interaction. The use of the novel concept of total bond order density (TBOD) as a single quantum mechanical metric to characterize the internal cohesion of a crystal and correlate with the calculated physical properties is particularly appealing. This requires detailed first-principles calculation of the electronic structure, interatomic bonding and related properties. In this article, we use this new concept and apply it to chalcogenide crystals based on data obtained from 25 crystals: Ag₂S, Ag₂Se, Ag₂Te, As₂S₃, As₂Se₃, As₂Te₃, As₄Se₄, Cu₂S, Cu₂Se, Cu₂Te, Cu₄GeS₄, Cu₂SnS₃, Cu₂SnSe₃, GeS₂, GeSe₂, Ge₄Se₉, Sb₂S₃, Sb₂Se₃, Sb₂Te₃, SnS, SnSe, CdSe, CdTe, ZnSe, and ZnTe. Together with the calculated optical and mechanical properties, we demonstrate the efficacy of using this novel approach for materials design that could facilitate the exploration and development of new chalcogenide crystals and glasses. Moreover, the TBOD and its partial components (PBOD) could be the key descriptors in machine learning protocol for broader scale design when a large database is available.

Many studies discuss carbon-based materials because of the versatility of carbon. These studies include different opinions for scientific problems and discuss various levels within the scope and application. Originally, a carbon atom exists in different allotropic forms depending on the conditions of processing its gaseous state, precursor or compound. The electron transfer mechanism is responsible for converting the gaseous carbon atom into various states, such as graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The parabola shaped ‘energy trajectory’ enables transfer of electrons from both east and west sides of an atom. An ‘energy trajectory’ is linked with suitable states (filled and unfilled states), where forced exertion to transferring electron is remained balanced. So, the mechanism of originating different states of a gaseous carbon atom is through the involvement of energy first. This is not the case with atoms executing electron dynamics under neutral state as the force of conservation mode is involved first. Carbon atoms when in graphite, nanotube or fullerene state, they ‘partially evolve and partially develop’ their structures, so they form a structure. Respectively, the structure of their atoms is in the order of one dimension, two dimensions and four dimensions. In their structural formation, atoms involve ‘energy curve’ having a shape like parabola. Here, atoms deal with a balanced exertion of force engaged with the poles of suitable electrons. The graphite structure under only attained dynamics of atoms can also be formed, but in the order of atoms having structure in two dimension. Here, the binding energy between graphite atoms is due to a small difference of exerting forces to their opposite poles and a formation of amorphous graphite can be anticipated. Structural formation in diamond, lonsdaleite and graphene atoms involves energy to gain required infinitesimal displacements of their electrons. Through involved energy for their atoms, exerting force along the relevant poles of suitable electrons in orientational manner is engaged. In this study, the growth of diamond is found to be south to east-west (ground), where depositing atom binds to deposited atom, i.e., ground to south (each electron of outer ring in depositing atom deals with orientating force in frictional manner to clamp by another energy knot of outer ring belonging to deposited atom). By engaging the forces of east-west poles, all four electrons in depositing diamond atom are directing toward the south-pole and all four energy knots (unfilled states) in deposited diamond atom are organizing along the ground. Thus, diamond atoms form a topological structure of tetra-electron, i.e., ground to south. So, lonsdaleite atoms form a topological structure of bi-electron, i.e., ground to a bit south. The formation of graphene structure should be anticipated in opposite manner to structure formation in diamond. Glassy carbon exhibits layered-topological structure, where tri-layers of gaseous, graphite and lonsdaleite state atoms successively bind in repetitive order. Structure of each state carbon atom explores its own science. Based on the structure, Mohs hardness of various carbon components is also sketched.

Gray cast iron is one of the most important engineering materials that has many applications in various industries including automotive and machinery manufacturing due to its mechanical properties, wear resistance, machining potentials and low price. In this research effect of adding aluminum and silicon to composition of gray cast iron on microstructure and wear resistance was studied. Moreover, it was investigated the role of formation of Fe-Al-Si intermetallic compound in final properties of the alloy. For studying wear resistance of samples pin-on-disc method was carried out. The results showed that addition of aluminum to gray cast iron causes formation of ferrite matrix, which leads to a decrease in hardness value. Increasing silicon content up to 2 wt. % in cast iron with 4 wt. % aluminum intensifies the formation of ferrite matrix, while further increase to 3 wt. % causes emerging a Fe-Al-Si intermetallic phase. Improvement in hardness value was achieved by increasing silicon content from 3 wt. % to 4 wt. % due to the increased percentage of intermetallic phase. Effect of intermetallic phase on decreasing wear rate was showed by studying microstructure and hardness values, however the lowest wear resistance was observed in aluminum bearing cast iron containing 2 wt. % silicon.

First of all the paper presents a solid solution of piezoelectric ceramic that was synthesized according to the general formula Pb(1-x)Srx(Ti0.48Zr0.52)(1-y)NbyO3 with x = 0.05 and y = 0.02, using wet ceramic processing technology and using an oxide mix as prime material. The effects of dopants (Sr2+ and Nb5+) on phase constitution, on microstructure and on the dielectric and piezoelectric properties were determinate. The Zr/Ti ratio was chosen near the morphotropic phase boundary of the PZT system in studied composition. The XRD data revealed that the PZT doped composition had tetragonal perovskite structure. Secondly the paper presents the design of the novel piezo-motor based on a surface wave which translates the linear extension of different piezoelectric segments of a piezoelectric cylinder into a rotational bending movement. This rotational bending of the piezoelectric cylinder is then transformed into a continuous rotation of the rotor through a calculated contact. The design of the motor takes advantage of the high piezoelectric constants of the developed material in an optimal way in order to increase the energetic efficiency. A brief mathematical model of electromechanical answer of piezoelectric materials is presented as it was used in the modeling of the material during the numerical simulations.

Many studies discuss carbon-based materials because of the versatility of its element. They include different opinions for scientific problems and discuss fairly at convincing and compelling levels within the scope and application. A gas-state carbon atom converts into various states depending on its conditions of processing. The electron transfer mechanism in the gas-state carbon atom is responsible to convert it into various states, namely, graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The shape of ‘energy trajectory’ enables transferring electrons from the left- and right-sides of an atom is like a parabola. That ‘energy trajectory’ is linked to states (filled state and suitable nearby unfilled state) where force-exertion along the poles of transferring electrons is remained balance. So, the mechanism of originating different states of a gas-state carbon atom is under the involvement of energy first. This is not the case for atoms executing confined inter-state electron-dynamics as the force is involved first. Graphite-, nanotube- and fullerene-state atoms ‘partially evolve partially develop’ (form) their structures. These possess one-dimensional, two-dimensional and four-dimensional ordering of atoms, respectively. Their structural formation also comprises ‘energy curve’ having a shape-like parabola. Transferring suitable filled state electron to suitable nearby unfilled state is under a balance force exerting along the poles. The graphite structure under only attained-dynamics of atoms can also be formed but in two-dimension. Here, binding energy between graphite-state carbon atoms is for a small difference of exerting forces along their opposite poles. Structural formation in diamond, lonsdaleite and graphene atoms involve energy to gain required infinitesimal displacements of electrons through which they maintain orientationally-controlled exerting forces along dedicated poles. In this study, the growth of diamond is found to be south to east-west (ground) where atoms bound ground to south. Thus, diamond atoms merge for a tetra-electron ground to south topological structure. Lonsdaleite atoms merge for a bi-electron ground to just-south topological structure. The growth of graphene is found to be north to ground where atoms bound ground to north. Thus, graphene atoms merge for a tetra-electron ground to north topological structure. Glassy carbon exhibits layered-topological structure where, tri-layers of gas-, graphite- and lonsdaleite-state atoms successively bind in repetitive order. Nanoscale hardness is also sketched based on different force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

Electron Channeling Contrast Imaging (ECCI) is becoming a powerful tool in Materials Science for characterizing deformation defects. Dislocations observed by ECCI in Scanning Electron Microscope, exhibit several features depending on the crystal orientation relative to the incident beam (white/black line on a dark/bright background). In order to bring new insights concerning these contrasts, we report an original theoretical approach based on the dynamical diffraction theory. Our calculations led, for the first time, to an explicit formulation of the backscattered intensity as a function of various physical and practical parameters governing the experiment. Intensity profiles are modeled for dislocations parallel to the sample surface for different channeling conditions. All theoretical predictions are consistent with experimental results.

Marine mortar was the goal material and its multi-scale physical-chemical-mechanical characteristics were the principal interest in this study. The on-line multi-scale damage detection experiments art was designed to quantify the characteristics mathematically and graphically. The normal cylinder specimen with 70-day age was produced and investigated by dynamically global MSHCT scan and local detection of EDS, SEM and XRD. The experiments results indicated that the marine mortar offered the appreciable strength at the early age at least, although some saline minerals were generated during the preparation. The micro-interfacial behavior and the parental foci controlled the damage development of the marine mortar the performance of which was still the adjustable one by the composition optimization.

In a depolarizing instrument, such as a broadband imaging spectrometer, the depolarizers are placed on the system for stabilization the optical signal. They are also used to reduce measurements offsets due to strong polarization dependence, which produce drastic deterioration of the signal to noise ratio. Dynamic depolarizer with a controllable degree of polarization is also required to study the effect of noise on quantum information. The article described a new instrument for characterization the variable depolarizer with features which make it different from a polarimetric system. The analysing system based on the simple structural design and has good stability for real-time measurement. A practical application of the described interferometer system for variable depolarizer characterization is also presented.

Electron Channeling Contrast Imaging (ECCI) is becoming a powerful tool in Materials Science such as for characterizing deformation defects. Dislocations observed by ECCI in Scanning Electron Microscope, exhibit several features depending on the crystal orientation relative to the incident beam (white/black line on a dark/bright background). In order to bring new insights concerning these contrasts, we report an original theoretical approach based on the dynamical diffraction theory. Our calculations led, for the first time, to an explicit formulation of the backscattered intensity as function of various physical and practical parameters governing the experiment. Intensity profiles are modeled for dislocations parallel to the sample surface for different channeling conditions. All theoretical predictions are consistent with experimental results.

In this paper, the effect of Bi₂O₃ doping on the mechanical properties of PbO ceramic pellets was studied. For this purpose, different ratios of Bi2O3/PbO (i.e., xBi2O3–(1-x)PbO, where x is 0, 1, 3, 5, 7 wt%) were fabricated and sintered at 570, 620, and 670°C. Mechanical properties including density, hardness, flexural strength, and sintering of PbO were studied for the aforementioned compositions. Phase compositions, microstructures, and worn surfaces of the composites were characterized by scanning electron microscopy and X-ray diffraction (XRD). The XRD analysis revealed that a solid solution formed in the composite ceramic. The best suited conditions of temperature and doping of Bi₂O₃ for optimal sintering are 620°C and 3 wt%, respectively. The hardness of the 3 wt% Bi2O3–97 wt% PbO ceramic was 717 MPa, which is about four times higher than the hardness of pure PbO; in addition, the strength of the composites was 43 MPa, which is two times higher than that of pure PbO. The integrity of the composites was verified using the lead–bismuth eutectic alloy flushing experiment. Results of this research paper are important for future studies of oxygen control in the lead–bismuth eutectic alloy of lead-cooled fast reactors.

When we were working on improving the resistance to deep abrasion of porcelain stoneware tiles, several tiles which had a very high resistance to abrasion were found in the market. The abraded volume of these tiles, measured via ISO 10545-6 method, was conspicuously less than 75 mm³. These values were well below the standard limit (<175 mm³) and reported values in the literature (>110 mm³). We determined the chemical, physical and microstructural characteristics of these tiles and other commercially available ones to find the relationship between the abrasion resistance and the technical specifications. We also characterized the samples by Vickers microhardness (VH), X-ray diffraction (XRD), mercury intrusion porosimetry (MIP) and scanning electron microscopy (SEM). It was observed that the high resistance to abrasion could be due to the presence of an adequate glassy phase capable of wetting all the hard crystalline phases in the matrix such as quartz and mullite. Therefore, the resistance to deep abrasion could be improved by increasing the amount of “vitreous” matrix, without altering the content of "hard" phases considerably well-bonded to the matrix.

A detailed analysis of the dehydrogenation mechanism and reversibility of LiBH₄ doped by active Al* derived from AlH₃ was performed by thermogravimetry (TG), differential scanning calorimetry (DSC), mass spectral analysis (MS), powder X-ray diffraction (XRD), scanning electronic microscopy (SEM) and Fourier transform infrared spectroscopy (FTIR). The results show that the dehydrogenation of LiBH₄/Al* is a five-step reaction: (1) LiBH₄ + Al → LiH + AlB₂ + “Li-Al-B-H” + B₂H₆ + H₂; (2) the decomposition of "Li-Al-B-H" compounds liberating H₂; (3) 2LiBH₄ + Al → 2LiH + AlB₂ + 3H₂; (4) LiBH₄ → LiH + B + 3/2H₂; (5) LiH + Al → LiAl + 1/2H₂. And the reversibility of LiBH₄/Al* composite is based on equation as follows: LiH + LiAl + AlB₂ + 7/2H₂ ↔ 2LiBH₄ + 2Al. The extent of dehydrogenation reaction between LiBH₄ and Al* greatly depends on the precipitation and growth of reaction products (LiH, AlB₂ and LiAl, etc.) on the surface of Al*. A passivation shell of Al* formed by these products is the kinetic barrier to the dehydrogenation of LiBH₄/Al* composite.

This paper describes a novel methodology of data management in materials characterisation, which has as starting point the creation and usage of Data Management Plan (DMP) for scientific data in the field of materials science and engineering, followed by the development and exploitation of ontologies for the harnessing of data created through experimental techniques. The case study that is discussed here is nanoindentation, a widely used method for the determination and/or modelling of mechanical properties on a small scale.The same methodology can be applicable to a large number of techniques that produce big amount of raw data, while at the same time it can be invaluable tool for big data analysis and for the creation of an open innovation environment, where data can be accessed freely and efficiently.Aspects covered include the taxonomy and curation of data, the creation of ontology and classification about characterization techniques, the harnessing of data in open innovation environments via database construction along with the retrieval of information via algorithms. The issues of harmonization and standardization of such novel approaches are also critically discussed.Finally, the possible implications for nanomaterial design and the potential industrial impact of the new approach are described and a critical outlook is given.

Hydrogels incorporated with hydrophobic motifs have received considerable attention to recapitulate the cellular microenvironments, specifically for the bio-mineralization of a 3D matrix. Introduction of hydrophobic motifs into a hydrogel often results in irregular arrangement of the motifs, and further phase separation of hydrophobic domains, but limited efforts have been made to resolve this challenge in the hydrophobically-modified hydrogel. Therefore, this study presents an advanced integrative strategy to incorporate hydrophobic domains regularly in a hydrogel by self-assembling of polymer cross-linkers, building blocks of a hydrogel. Self-assemblies between polymer cross-linkers were examined as micro-domains to incorporate hydrophobic motifs in a hydrogel. The self-assembled structures in a pre-gelled solution were confirmed with the fluorescence analysis and the hydrophobicity of a hydrogel could be tuned by incorporating the motifs in a controlled manner. Overall, the results of this study would greatly serve to tuning performance of a wide array of hydrophobically-modified hydrogels in drug delivery, cell therapies and tissue engineering.

A series of Ti₄₀Zr₂₅Cu₉Ni₈Be₁₈)_100-xTM_x (x = 0, 1, 2, 3, 4 at.%, TM = Nb, Y) Bulk amorphous alloys were designed and prepared using the copper mold casting method. The microstructures, glass forming ability and mechanical properties of the alloys were investigated by means of X-ray diffractometry (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), differential scanning colorimetry (DSC), depth-sensitive nanoindentation and uniaxial compressive test. The Bulk amorphous alloys with different ductility were investigated by measuring their plastic deformation energy (PDE) of the first pop-in events during loading. The relationships between the PDE value, shear band formation and ductility in Bulk amorphous alloys have been investigated. The results show that the PDE value decreases by the Nb addition and promotes the generation of multiple shear bands easily, which increase the fracture strength and plasticity significantly. Substituting Nb with Y has exactly the reverse effect. A useful rule for preparing of Bulk amorphous alloys with high plasticity is herein proposed, whereby the chemical composition of the Bulk amorphous alloys can be tailored to possess a lower PDE value.

This paper describes a novel methodology of data management in materials characterisation, which has as starting point the creation and usage of Data Management Plan (DMP) for scientific data in the field of materials science and engineering, followed by the development and exploitation of ontologies for the harnessing of data created through experimental techniques. The case study that is discussed here is nanoindentation, a widely used method for the determination and/or modelling of mechanical properties on a small scale.The same methodology can be applicable to a large number of techniques that produce big amount of raw data, while at the same time it can be invaluable tool for big data analysis and for the creation of an open innovation environment, where data can be accessed freely and efficiently.Aspects covered include the taxonomy and curation of data, the creation of ontology and classification about characterization techniques, the harnessing of data in open innovation environments via database construction along with the retrieval of information via algorithms. The issues of harmonization and standardization of such novel approaches are also critically discussed.Finally, the possible implications for nanomaterial design and the potential industrial impact of the new approach are described and a critical outlook is given.

This paper describes a novel methodology of data management in materials characterisation, which has as starting point the creation and usage of Data Management Plan (DMP) for scientific data in the field of materials science and engineering, followed by the development and exploitation of ontologies for the harnessing of data created through experimental techniques. The case study that is discussed here is nanoindentation, a widely used method for the determination and/or modelling of mechanical properties on a small scale.The same methodology can be applicable to a large number of techniques that produce big amount of raw data, while at the same time it can be invaluable tool for big data analysis and for the creation of an open innovation environment, where data can be accessed freely and efficiently.Aspects covered include the taxonomy and curation of data, the creation of ontology and classification about characterization techniques, the harnessing of data in open innovation environments via database construction along with the retrieval of information via algorithms. The issues of harmonization and standardization of such novel approaches are also critically discussed.Finally, the possible implications for nanomaterial design and the potential industrial impact of the new approach are described and a critical outlook is given.

The effects of heating rate before solution treatment and cooling rate after solution treatment on the morphological distribution and evolution of precipitation phase of nickel-based single crystal superalloy were studied. The dissolution, precipitation and growth of precipitation phase and matrix phase during heat treatment were analyzed by means of high power scanning electron microscopy. The results show that the morphology of precipitated phase has nothing to do with the distribution of precipitated phase and the heating rate in the heating process, but the cooling rate in the cooling process affects the shape, size and distribution of precipitated phase. The faster the cooling rate, the smaller the precipitated phase is, the more irregular the shape is, the smaller the equivalent edge length is, and the smaller the channel width of matrix phase is.

In atomic GdFe$_2$ films capped by 4$d$ and 5$d$ transition metals, we show that skyrmions with diameters smaller than 12 nm can emerge. The Dzyaloshinskii--Moriya interaction (DMI), exchange energy, and the magnetocrystalline anisotropy (MCA) energy were investigated based on density functional theory. Since DMI and MCA are caused by spin--orbit coupling (SOC), they are increased with 5$d$ capping layers which exhibit strong SOC strength. We discover a skyrmion phase by using atomistic spin dynamic simulations at small magnetic fields of $\sim$1 T. In addition, a ground state that a spin spiral phase is remained even at zero magnetic field for both films with 4$d$ and 5$d$ capping layers.

The perpendicular exchange bias effect is observed in the ferromagnetic Co/Ni multilayers adjacent to the antiferromagnetic FeRh layer. It is found that as the antiferromagnetic FeRh thickness increases from 10 Å to 50 Å, the hysteresis loop is gradually changed from the symmetric shape to the asymmetric shape shifted by some amount corresponding to the exchange-biased field at the thickness of 25 Å. Also, the magnetic domain observation experiment confirms that the domain reversals in the increasing and the decreasing field regions of the sample with the thickness of 50 Å exhibit the same single domain wall motion even though they have the different coercivities.

The effects of carbon fiber hybridisation on the thermal properties of woven kenaf reinforced epoxy composites kenaf fibre were studied. Woven kenaf hybrid composites at the different weave designs of plain and satin, and fabric count of 5 × 5 and 6 × 6 were manually prepared by vacuum infusion technique.  Thermal properties of pure carbon fibre and hybrid composites were conducted by using thermogravimetric analyser (TGA) and differential scanning calorimeter (DSC). It was found that at high kenaf fibre content showed better thermal stability while the highest thermally stable was found in pure carbon fibre composite.  The TG and DTG results showed that the amount of residue decreased in plain-designed hybrid composite compared to satin-designed hybrid composite. The DSC data revealed that the presence of woven kenaf increase decomposition temperature.

In atomic GdFe$_2$ films capped by 4$d$ and 5$d$ transition metals, we show that skyrmions with extremely reduced diameters of a smaller than 12 nm can occur. The Dzyaloshinskii-Moriya interaction (DMI), exchange energy, and the magnetocrystalline anisotropy (MCA) energy were investigated based on density functional theory. Since DMI and MCA are caused by spin-orbit coupling, they are increased with 5$d$ capping layers compared to films capped by 4$d$ transition metal. We discovered a skyrmion phase by using atomistic spin dynamics simulations at small magnetic fields of $\sim$ 1 T. A ground state that a spin spiral phase is remained even at zero magnetic field for both films with 4$d$ and 5$d$ capping layers.

This study examines whether gas is emitted from the materials used in the fabrication of metal vacuum panels or not and if emitted, their degree as time goes by. As experimental materials, metal sheets, foamed concrete as a core material, and polymer materials as a sealing material between metal sheets were selected. Experiments on the type and the degree of bending of metal materials showed that aluminum’s vacuum reaching time of 0.001 torr was at least 40 sec to 90 sec in its flat plate, but its vacuum reaching time increased from 3 times to 4.5 times in case of 90 ° and 135 ° bending state. For this reason, it is judged that stainless steel or steel material is suitable because aluminum is inadequate in terms of processability at the time of fabricating the metal vacuum panel. Also, vacuum arrival times and weight changes with increasing foam content of inorganic foamed concrete increased from 22,000 sec to 42,000 sec with increasing foaming rate and also, the weight change increased from 1.7% to 8%. Also, the experimental results on the type of honeycomb materials, the PE (polyethylene) with a vacuum reaching time of 30,000 sec and with a weight change of 0.5% and the PTFE (Poly-tetrafluoro ethylene) with a vacuum reaching time of 29,000 sec and with a weight change of 2.2% showed the optimum value.

Many studies discuss carbon-based materials because of the versatility of the carbon element. They present different sorts of understandings fairly at convincing and compelling levels. A gas-state carbon atom converts into its various states depending on the conditions of processing. The electron transfer mechanism in the gas-state carbon atom is responsible for its conversion to various states, namely, graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The shape of energy responsible to transfer electron from the sides (east- and west-poles) of its atom is like parabola. That energy is linked to states (from filled state to nearby unfilled state) where exerted force to relevant poles of transferring electron is remained neutral. So, the mechanism of originating different states from a gaseous carbon atom is under the involvement of energy at first, which is not the case for atoms executing their confined inter-state electron-dynamics where force is involved at first. Structure evolved in graphite-, nanotubes- and fullerene-states have respectively one-dimensional, two-dimensional and four-dimensional atoms. Moreover, the associated energy curve is a parabola, indicating the transfer of electrons under neutral exertion of forces to their relevant poles. The graphite structure under only attained-dynamics of atoms is also developed but in two-dimension. Here, binding energy between graphitic carbon atoms is engaged under the influence of a small difference available between their involved forces along opposite poles. Structural evolution in diamond, lonsdaleite and graphene atoms involve potential energy of electrons required to undertake infinitesimal displacements under orientationally-controlled exerting forces to their relevant poles. In this study, the growth of diamond is found to be south to ground where atoms bound ground to south. Thus, diamond atoms merge for a tetra-electron ground to south topological structure. Lonsdaleite atoms merge for a bi-electron ground to just-south topological structure. The growth of graphene was just-north to ground; however, the binding of atoms was ground to just-north showing tetra-electrons ground to just-north topological structure. Glassy carbon exhibits layered-topological structure which successively binds tri-layers of gas-, graphite- and lonsdaleite-state atoms in repetitive manner. Orientating pair of electrons of each atom of below gas layer and above lonsdaleite layer enter from the rear side and front side respectively to undertake another clamping of unfilled energy knots belonging to each atom of intermediate graphitic layer. Different carbon atoms develop amorphous structures when they bind under frustrating amalgamation. Hardness of carbon-based materials was also sketched in the light of force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

The expansion of concrete subjected to extreme elevated temperature is linked with intricate micro-structural variations, such as the transformation of the constituent phases. This study proposes a model to predict the thermal expansion of cement paste and concrete considering micro-structural changes under elevated temperatures ranging from 20°C to 800°C. The model presented can consider characteristics of various aggregates in the calculation of thermal expansion for concrete. The model is a combination of a multi-scale stoichiometric model and a multi-scale composite model. At the cement paste level, the model satisfactorily predicted a test result. At concrete level, upper bounds from the model were matched relatively well with test results by previous researcher. If the mechanical properties, such as elastic modulus (E), Poisson’s ratio (ν), and thermal deformation, of the aggregates used in concrete are given, it is likely that the model will reasonably predict experimental results.

In this investigation steel P355NH has been successfully cladded with Inconel 625 through the method of explosive welding. Explosively welded bimetal clad-plate was subjected to the two separated post weld heat treatment processes: stress relief annealing (at 620oC for 90 minutes) and normalizing (at 910oC for 30 minutes). In order to analyze the microstructure of the joint in the as-welded state and to investigate the influence of the post weld heat treatment on it, the light and scanning electron microscope observations and microhardness analysis have been performed. The examination of the diffusion zone microstructure has been performed by using the scanning transmission electron microscope. It was stated that obtained joint has characteristic wavy-shape geometry with the presence of the melted zones and severe deformed grains of both joined materials. Strain hardening of the materials in joint zone was established with microhardness analysis. In both of the heat treatments the changes in the grain structure have been observed. The normalizing heat treatment has the most significant impact on the microstructure of the joint as well as the concentration of the chemical elements in the joint zone. It was reported that due to normalizing the diffusion zone has been formed together with precipitates in the joint zone. The analysis of the diffusion zone images leads to the conclusion that the diffusion of alloying elements from Inconel 625 to steel P355NH takes place along the grain boundaries with additional formation of the voids in this area. The precipitates in Inconel 625 in the joint zone are two type of carbides – chromium-rich and molybdenum-rich. Scanning transmission electron microscope observation of the grain microstructure in the diffusion zone shows that this area consists of equiaxed grains (from the side of Inconel 625 alloy) and columnar grains (from the side of steel P355NH).

The fatigue strength of the hot work steel depends on various factors, including the mechanical, properties and behavior and bulk and the surface under layer, the microstructural features as well as heat treatments. The influence of a series of heat treatments on the fatigue strength of H13 hot work steel was investigated. Different preheating, quenching and tempering treatments were applied to four sets of specimens and fatigue tests were conducted at room temperature using a rotating bending test machine. All heat treatments resulted in a certain improvement of the fatigue strength. Highest fatigue strength obtained by applying a double tempering heat treatment (first tempering at 550 °C for two hours and second tempering at 610 °C for two hours) after initial preheating and quenching. One tempering treatment (550 °C for two hours after preheating and quenching) did not significantly improve the fatigue strength.

Detection of formaldehyde is very important in terms of life protection, as it can cause serious injury to eyes, skin, mouth and gastrointestinal function if indirectly inhaled and hence researchers are putting effort in developing novel and sensitive device. In this work, we have fabricated an electro-chemical sensor in the form of a field effect transistor (FET) to detect formaldehyde over wide range (10 nM to 1 mM). For this, ZnO nanosheets (NS) were first synthesized by hydrothermal method with in-situ deposition on cleaned SiO₂ coated Si (100) substrate. The synthesized materials were characterized for morphology and purity and surface area (31.718 m²/g). The developed device was tested for formaldehyde detection at room temperature that resulted in a linear response with concentration (96%), sensitivity value of 0.27 mA/M/cm² and a low detection limit of 210 nM, and a high 0.93194 return.

Many studies discuss carbon-based materials because of the versatility of the carbon element. They present different sorts of understandings fairly at convincing and compelling levels. A gas state carbon atom converts into its various states depending on the conditions of processing. The electron transfer mechanism in the gas state carbon atom is responsible for its conversion to various states namely, graphite, nanotube, fullerene, diamond, lonsdaleite and graphene. The shape of energy responsible to transfer electron from the sides (east- and west-poles) of its atom is like parabola that is linked to states where exerted force to relevant poles of transferring electron (from filled state to nearby unfilled state) is remained neutral. So, the mechanism of forming different states of a gaseous carbon atom is under a bit non-conserved involving energy, which is not the case for atoms executing their confined inter-state electron-dynamics. Structure evolved in graphite, nanotube and fullerene states have one-dimensional, two-dimensional and four-dimensional atoms, respectively, and the associated energy curve is like parabola indicating transfer of electrons under neutral exertion of forces to their relevant poles. The graphite structure under only attained-dynamics of atoms is also developed but in two-dimension where engaged binding energy between them is under an influence of a small difference between involved forces of their opposite poles. Structural evolution in diamond, lonsdaleite and graphene atoms involve potential energy of electrons required to undertake infinitesimal displacements under orientationally-controlled exerting forces to their relevant poles. In this study, the growth of diamond was found to be from south to ground in which the atoms were bound in ground to south indicating tetra-electrons ground to south topological structure. Lonsdaleite showed a bi-electrons ground to just-south topological structure. The growth of graphene was just-north to ground; however, the binding of atoms was ground to just-north showing tetra-electrons ground to just-north topological structure. Glassy carbon exhibits layered-topological structure which successively binds tri-layers of gas, graphite and lonsdaleite state atoms in the repetitive manner. In this case, pair of orientated electrons of gas atoms and lonsdaleite atoms in their layers take another clamping of pair of unfilled energy knots by entering from the rear-side and front-side, respectively and to bind to intermediate layers of graphitic carbon atoms. Different carbon atoms develop amorphous structures when they bind under frustrating amalgamation. Hardness of carbon-based materials was also sketched in the light of different force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

The shape memory alloys belong to the smart materials thanks to their thermomechanical proprieties' reply to thermal or to mechanical loading. These materials can change shape, stiffness, displacement, natural frequency, and many mechanical characteristics in response to stress or to heat such as conduction, convection or radiation. However, heating by convection or conduction are the most useful and studied methods unlike radiation. Therefore, this paper aims to study the radiation effect on the shape memory alloy behavior

Detection of formaldehyde is very important in terms of life protection, as it can cause serious injury to eyes, skin, mouth and gastrointestinal function if indirectly inhaled and hence researchers are putting effort in developing novel and sensitive device. In this work, we have fabricated an electro-chemical sensor in the form of a field effect transistor (FET) to detect formaldehyde over wide range (10 nM to 1 mM). For this, ZnO nanosheets (NS) were first synthesized by hydrothermal method with in-situ deposition on cleaned SiO₂ coated Si (100) substrate. The synthesized materials were characterized for morphology and purity and surface area (31.718 m²/g). The developed device was tested for formaldehyde detection at room temperature that resulted in a linear response with concentration (96%), sensitivity value of 0.27 mA/M/cm² and a low detection limit of 210 nM, and a high 0.93194 return.

Additive manufacturing (AM) offers customization of microstructure and mechanical properties of fabricated components according to the material selected, and process parameters applied. Selective laser melting (SLM) is the commonly used technique for processing high strength aluminum alloys. Selection of SLM process parameters could control the microstructure of parts and their mechanical properties. However, the process parameters limit and defects obtained inside the as-built parts present obstacles to customized part production. This study investigates the influence of SLM process parameters on the quality of as-built Al6061 and AlSi10Mg parts according to the mutual connection between the microstructure characteristics and mechanical properties. The microstructure of both materials was characterized for different parts processed over a wide range of SLM process parameters. The optimized SLM parameters were investigated to eliminate the internal microstructure defects. The behaviour of mechanical properties of parts was presented through regression models generated from the design of experiment (DOE) analysis for the results of hardness, ultimate tensile strength, and yield strength. A comparison between the results obtained and that reported in the literature is presented to illustrate the influence of process parameters, build environment, and powder characteristics on the quality of parts produced. The results obtained from this study could help to customize the part’s quality by satisfying their design requirements in addition to reducing the as-built defects which in turn reduce the amount of the post-processing needed.

In this study, a parameter of volume stability was proposed for the first time to design polymorph zirconia ceramics used for special components. A series of heterogeneous polymorph zirconia ceramics with various amounts of monoclinic (M) phase were fabricated by two-step sintering. Samples with about 27%, 31%, and 51% M phase content were selected to study the properties. The thermal shock durability was found to be associated with thermal expansion behavior and noncritical micro cracks, which both based on M phase initial content. In good agreement with experimental results, the correlation of normalized K versus M phase initial content was established. It could provide a repeatable reference to prepare special zirconia components without loss of density.

Abstract: This work for the first time investigated the densification of multi-doping zirconia ceramic body with organic coating powders for solid electrolyte of solid oxide fuel cells via online imaging technology. The densification results show the initial stage plays a key role in the sintering. It can be found the covered organic PVA (polyvinyl acetate) supplies a potential kinetics to the initial densification during sintering. As a result, a kinetic function of densification in the initial stage was suggested. Furthermore, a novel sintering model with six sub-stages is developed for polycrystalline zirconia ceramics. The findings would be a valuable reference for predicting final temperature of sintering, the equivalent strain during the sintering process, as well as optimizing the densification behavior.

Partially stabilized zirconia (PSZ) is a promising material with superior combination properties in a wide range of industries. In this study, the effect of grain size on the mechanical properties such as hardness, bending strength and fracture toughness (named as ‘indentation toughness’ in this study) was investigated. The multi-doped zirconia ceramics were prepared by powder processing and pressure-less sintered following four sintering schedules. The measured mechanical properties results show that the polymorph structure sintered at a higher temperature has a lower bending strength and hardness. But 300% more indentation toughness (30.54 Kg/mm) of samples sintered at 1600 °C +1150 °C relative to others was estimated due to the grain size effect by our suggested equation. By contrast, the fracture toughness was calculated with an existing method. The results showed that similar trends were obtained. It appeared to be a novel method for evaluating the toughness of partially stabilized zirconia ceramics with micron grains based on the size effect.

Ce³⁺ and Dy³⁺ ions doped Ca₂Al₂SiO₇ (CAS) phosphors were prepared by the solid-state reaction at 12800C for 1h. X-ray diffraction patterns confirmed a tetragonal crystalline structure. The luminescent spectra of CAS: Ce³⁺, Dy³⁺ phosphors consist a board band with peaking at 420 nm corresponding to the luminescence of Ce³⁺ ions and narrow lines of Dy³⁺ ions. The energy transfer from Ce³⁺ ion to Dy³⁺ ion is presented and discussed

Anion exchange membrane (AEM) electrolysis is hampered by two main issues: stability and performance. Focusing on the latter, this work demonstrates a highly active NiMo cathode for hydrogen evolution in AEM electrolysis. We demonstrate an electrolyzer performance of 1 A cm⁻² at 1.9 V (total cell voltage) with a NiMo loading of 5 mg cm⁻² and an iridium black anode in 1 M KOH at 50 °C, that may be compared to 1.8 V for a similar cell with Pt at the cathode. The catalysts developed here will be significant in supporting the pursuit of cheap and environmentally friendly hydrogen fuel.

Sodium substitution Li1-xNaxMn2O4 cathodes were synthesized by a solid-state reaction method. The morphologies and crystal structures of Li1-xNaxMn2O4 were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD), respectively. All Li1-xNaxMn2O4 samples exhibited a single phase LiMn2O4 spinel structure with good crystallinity. The effect of Na+ ions on the electrochemical performance of Li1-xNaxMn2O4 was investigated by galvanostatic charge-discharge test. The results showed that lithium substituted by sodium deteriorated its capacity retention but enhance its discharge capacity when it worked at large current densities. The initial discharge capacity was 114.2 mAh/g for Li0.94Na0.06Mn2O4, and 93.1 mAh/g remained after 300 cycles at a current density of 2220 mA/g in the voltage range 3.0–4.3 V at room temperature.

K417G Ni-based superalloy is widely used in aeroengine turbine blade for its excellent properties. However, the aeroengine rotor blade zigzag crown appears early failure frequently, which is because of the wear problems occurring in the working process. Laser forming repairing (LFR) is a promising technique to repair these damaged blades. Unfortunately, the laser formed Ni-based superalloys with high content of (Al + Ti) have a high cracking sensitivity. In this paper, the crack characterization of the LFRed K417G, the microstructure, microhardness and tribological properties of the coating before and after laser remelting are presented. The results show that the microstructure of as-deposited K417G consists of γ phase, γ′ precipitated phase, γ + γ′ eutectic and carbide. Cracking mechanisms including solidification cracking, liquation cracking and ductility dip cracking are proposed based on the composition of K417G and processing characteristics to explain the cracking behavior of the K417G superalloy during LFR. After laser remelting, the microstructure of the coating has been refined, and the microhardness and tribological properties has been improved. Laser remelting can decrease the size of the cracks in the LFRed K417G but not the number. Therefore, laser remelting can be applied as an effective method for strengthening coating and as an auxiliary method for controlling cracking.

Water electrolysis provides efficient and cost-effective production of hydrogen from renewable energy. Currently, the oxidation half-cell reaction relies on noble-metal catalysts, impeding widespread application. In order to adopt water electrolyzers as the main hydrogen production systems, it is critical to develop inexpensive and earth-abundant catalysts. This review discusses the proton exchange membrane (PEM) water electrolysis (WE) and the progress in replacing the noble-metal catalysts with earth-abundant ones. Researchers within this field are aiming to improve the efficiency and stability of earth-abundant catalysts (EACs), as well as to discover new ones. The latter is particularly important for the oxygen evolution reaction (OER) under acidic media, where the only stable and efficient catalysts are noble-metal oxides, such as IrO_x and RuO_x. On the other hand, there is significant progress on EACs for the hydrogen evolution reaction (HER) in acidic conditions, but how many of these EACs have been used in PEM WEs and tested under realistic conditions? What is the current status on the development of EACs for the OER? These are the two main questions this review addresses.

By means of density functional theory (DFT) calculations, we have investigated the effect of hydrostatic pressure on the structural, electronic and elastic properties of the barium-doped silicon clathrate Ba8Si46 in the type-VIII structure (α phase). Physical properties are calculated under different conditions of pressure (0 GPa to 45 GPa) using the GGA-PBE functional, those calculations have been performed using the Cambridge serial total energy package CASTEP code within the Materials Studio package. Electronic properties have shown that the type-VIII Ba8Si46 has metal-like properties with a fundamental bandgap of 1 eV. Under pressure the fundamental bandgap increases slightly and the positions of the valence band maximum VBM and the conduction band minimum CBM remain unchanged. We found that the compound is mechanically stable under the pressure range, but this needs to be confirmed experimentally through synthesis, a comparison with the type-I and the guest-free counterparts has exhibited promising features for the type-VIII Ba8Si46.

Water electrolysis provides efficient and cost-effective production of hydrogen from renewable energy. Currently, the oxidation half-cell reaction relies on noble-metal catalysts, impeding widespread application. In order to adopt water electrolyzers as the main hydrogen production systems, it is critical to develop inexpensive and earth-abundant catalysts. This review discusses the proton exchange membrane (PEM) water electrolysis (WE) and the progress in replacing the noble-metal catalysts with earth-abundant ones. Researchers within this field are aiming to improve the efficiency and stability of earth-abundant catalysts (EACs), as well as to discover new ones. The latter is particularly important for the oxygen evolution reaction (OER) under acidic media, where the only stable and efficient catalysts are noble-metal oxides, such as IrO_x and RuO_x. On the other hand, there is significant progress on EACs for the hydrogen evolution reaction (HER) in acidic conditions, but how many of these EACs have been used in PEM WEs and tested under realistic conditions? What is the current status on the development of EACs for the OER? These are the two main questions this review addresses.

Several challenges stand in the way of production of Metal Matrix Composites (MMCs) such as higher processing temperatures, particulate mixing, particulate-matrix interface bonding issues and ability to process into desired geometrical shapes. Although there are many literatures showing composites with single particulate reinforcements, the studies on composites with multiple reinforcing agents (hybrid composites) are found to be limited. Development of a hybrid particulate composite with optimized mechanical and tribological properties is very significant to suit modern engineering applications. In this study, Al-Si hypereutectic alloy (A390) is used as the matrix and Silicon Carbide (SiC) and Graphite (Gr) and Molybdenum di-Sulphide (MoS₂) are used as particulates. Particulate volume (wt%) is varied and sample test castings are made using squeeze casting process through stir casting processing route. The evaluation of mechanical properties indicates that presence of both the hard phase (SiC) and the soft phase has distinct effect on the properties of Hybrid Composite. Composite samples were characterized to understand the performance and to meet the tribological applications. Fractography study indicated an intra-granular brittle fracture for hybrid composites. Wear study shows that Hybrid MMCs has better tribological performance compared to that of A390 alloy.

Additive manufacturing (AM) provides customization of the microstructure and mechanical properties of components. Selective laser melting (SLM) is the commonly used technique for processing high strength Aluminum alloys. Selection of SLM process parameters could control the microstructure of fabricated parts and their mechanical properties. However, process parameter limits and defects inside the as-built parts present obstacles to customized part production. This study is the second part of a comprehensive work that investigates the influence of SLM process parameters on the quality of as-built Al6061 and AlSi10Mg parts. The microstructure of both materials was characterized for different parts processed over a wide range of SLM process parameters. The optimized SLM parameters were investigated to eliminate the internal microstructure defects. Mechanical properties of the parts were illustrated by regression models generated with design of experiment (DOE) analysis. The results reported in this study were compared to previous studies, illustrating how the process parameters and powder characteristics could affect the quality of produced parts.

Additive manufacturing (AM) of high strength Al alloys promises to enhance the performance of critical components related to various aerospace and automotive applications. The key advantage of AM is its ability to generate lightweight, robust, and complex shapes. However, the characteristics of the as-built parts may represent an obstacle to satisfy the part quality requirements. The current study investigates the influence of selective laser melting (SLM) process parameters on the quality of parts fabricated from different Al alloys. A design of experiment (DOE) is used to analyze relative density, porosity, surface roughness, and dimensional accuracy according to the interaction effect between the SLM process parameters. The results show a range of energy densities and SLM process parameters for the AlSi10Mg and Al6061 alloys needed to achieve “optimum” values for each performance characteristic. A process map is developed for each material by combining the optimized range of SLM process parameters for each characteristic to ensure good quality of the as-built parts. The second part of this study investigates the effect of SLM process parameters on the microstructure and mechanical properties of the same Al alloys. This comprehensive study is also aimed at reducing the amount of post-processing needed.

Water splitting plays an important role in electrochemical and photoelectrochemical conversion of energy devices. Electrochemical water splitting by the hydrogen evolution reaction (HER) is a straightforward route to produce hydrogen (H2), which requires an efficient electrocatalysts to minimize energy consumption. Recent advances have created a rapid rise in new electrocatalysts, particularly those based on non-precious metals. In this review, we present a comprehensive overview of the recent developments of ternary and quaternary 6d-group transition metal chalcogenides (TMCs) based electrocatalysts for water splitting, especially for HER. Detailed discussion is organized from binary to quaternary TMCs including, surface engineering, heterostructures, chalcogen substitutions, and hierarchically structural design in TMCs. Moreover, emphasis is placed on future research scope and important challenges facing these electrocatalysts for further development in their performance towards water splitting.  

This paper addresses the effect of both microstructure and relative humidity on the long-term creep properties of sustainable calcium carbonate (CaCO₃) cements. Those can be prepared by mixing amorphous calcium carbonate and vaterite with water. A larger starting amount of vaterite, X_V, within the mixture design gives a higher elasticity and resistance to the specimens due to the larger overall bridging area within the newly formed calcite crystals. Regarding creep properties for a given relative humidity, the amplitude of creep strain decreases with X_V, and makes the relation between the elastic modulus, E, and hardness, H, of the samples to be linear with the contact creep modulus, C. On the other hand, for a given composition, the amplitude of creep increases with the relative humidity, making the contact creep modulus, Ci, to rise exponentially with the elastic modulus, E, and hardness, H, of the specimens. The most probable creep mechanisms for this kind of cement seem to be a combination of microcraking in the early stages and dissolution and reprecipitation of calcite in the long-term (also known as pressure solution theory). The presence of water in pores with increasing relative humidity might enhance the local dissolution of calcite, and hence the creep amplitude.

Calcium carbonate cements have been synthesized by mixing amorphous calcium carbonate and vaterite powders with water to unravel the mechanisms of creating mechanical strength during the setting reaction. In-situ XRD was used to monitor the transformation of ACC and vaterite phases into calcite. Unlike this transformation of crystals suspended in a stirred solution, the transformation in the cement is controlled by vaterite dissolution. The supersaturation within the cement paste, Ω, depends not only on the bulk free energy difference of the phases, ΔG, but also on the grain size evolution. Among the strengthening mechanisms, an initial geometric reorganization of CaCO₃ particles has been identified by rheological measurements; followed by the formation of an interconnected network of calcite crystals that increases in strength as the crystals grow and form bridges among them. All compositions yield microporous calcite structures with diverse transformation history, crystal bridging efficiency, and hence final mechanical properties.

Disposable absorbent hygiene products have evolved for superior performance, enhancing the convenience of daily lives. Yet the use of disposable hygiene pads has brought safety concerns on chemical exposure, and significant efforts have been made to assess the potential risks associated with use of hygiene pads. This article intends to overview the safety assessment framework of diapers and feminine pads, which includes hazard identification, hazard characterization, exposure assessment, risk characterization, and postmarket risk management. Risk assessment of various constituents are reviewed for quantification methods and conservative estimation of exposure parameters. By reviewing the up-to-date considerations in risk assessment, we aim to provide insightful discussion on safety evaluation of current versions of disposable absorbent products. More clinical testing and postmarket surveillance are needed for continuous monitoring of potential health impacts of advanced products and constituents.

The effect of transition metal substitution for Fe and the structural and magnetic properties of Gd2Fe16Ga0.5TM0.5 (TM=Cr, Mn, Co, Ni, Cu, and Zn) compounds were investigated. Rietveld analysis of X-ray diffraction indicates that all the samples crystallize in the hexagonal Th2Ni17 structure. The lattice parameters: a, c and unit cell volume show TM ionic radii dependence. Both Ga and TM atoms show preferred site occupancy for 12j and 12k sites. The saturation magnetization at maximum room temperature was observed for Co, Ni, and Cu of 69, 73, and 77 emu/g, respectively while minimum value was observed for Zn (62emu/g) doping Gd2Fe16Ga0.5TM0.5. Highest Curie temperature of 590 K was observed for Cu doping which is 15% and 5% and thesehigher than Gd2Fe17 and Gd2Fe16Ga compounds, respectively. The hyperfine parameters viz. hyperfine field and isomer shift, show systematic dependence on the TM atomic number. The observed magnetic and Curie temperature behavior in Gd2Fe16Ga0.5TM0.5 is explained on the basis of Fe(3d)-TM(3d) hybridization. The superior Curie temperature and magnetization value of Co, Ni, and Cu doped Gd2Fe16Ga0.5TM0.5 compounds as compared to pure Gd2Fe17 or Gd2Fe16Ga makes Gd2Fe16Ga0.5TM0.5 a potential candidate for high-temperature industrial magnet applications.

The effect of transition metal substitution for Fe and the structural and magnetic properties of Gd2Fe16Ga0.5TM0.5 (TM=Cr, Mn, Co, Ni, Cu, and Zn) compounds were investigated. Rietveld analysis of X-ray diffraction indicates that all the samples crystallize in the hexagonal Th2Ni17 structure. The lattice parameters: a, c and unit cell volume show TM ionic radii dependence. Both Ga and TM atoms show preferred site occupancy for 12j and 12k sites. The saturation magnetization at maximum room temperature was observed for Co, Ni, and Cu of 69, 73, and 77 emu/g, respectively while minimum value was observed for Zn (62emu/g) doping Gd2Fe16Ga0.5TM0.5. Highest Curie temperature of 590 K was observed for Cu doping which is 15% and 5% and thesehigher than Gd2Fe17 and Gd2Fe16Ga compounds, respectively. The hyperfine parameters viz. hyperfine field and isomer shift, show systematic dependence on the TM atomic number. The observed magnetic and Curie temperature behavior in Gd2Fe16Ga0.5TM0.5 is explained on the basis of Fe(3d)-TM(3d) hybridization. The superior Curie temperature and magnetization value of Co, Ni, and Cu doped Gd2Fe16Ga0.5TM0.5 compounds as compared to pure Gd2Fe17 or Gd2Fe16Ga makes Gd2Fe16Ga0.5TM0.5 a potential candidate for high-temperature industrial magnet applications.

Many studies deal synthesis of carbon because of its versatility but lack the arresting of understanding at convincing and compelling levels. A binding energy shape-like parabola is linked to state of handing over electron to state of taking over at each opposite-side of the atom maintaining the equilibrium of resulting new state of the carbon atom. Through this mechanism of transferring electrons for the gas state carbon atom, it converts into graphitic state, nanotube state, fullerene state, diamond state, lonsdaleite state and graphene state carbon atom. Exerting forces to relevant poles of transferring electrons work neutral to attain specific state of their carbon atom. Structure evolutions in graphitic, nanotube and fullerene state carbon atoms are remained one-dimensional, two-dimensional and four-dimensional, respectively, where energy shape-like parabola is involved along the relevant quadrant for transferring electron(s) where neutral behavior of exerting forces is engaged. A graphite structure when develops under attained dynamics of atoms and their binding is under a bit difference of involved opposite pole forces, it develops in two-dimensional also. Evolution of structure in diamond, lonsdaleite and graphene state carbon atoms is under the involvement of potential energy of electrons as per their undertaking the infinitesimal displacements, thus, engaging their relevant poles exerting forces in the orientationally-controlled manner. Growth of diamond is south to ground, but binding of atoms is ground to south, so, it is a tetra-electrons ground to south topological structure. Lonsdaleite is a bi-electrons ground to just-south topological structure. Growth of graphene is just-north to ground but binding of atoms is ground to just-north, so, it is a tetra-electrons ground to just-north topological structure. Glassy carbon is related to a layered-topological structure where successive tri-layers of gas, graphitic and lonsdaleite state atoms bind in the repetitive manner. In glassy carbon, pair of orientated electrons of gas and lonsdaleite state carbon atoms undertake another clamping of pair of unfilled energy knots by entering from the rear-side and front-side, respectively, to bind to intermediate layers of graphitic state atoms. Different carbon atoms develop amorphous structures when they bind under frustrating amalgamation. Hardness of carbon-based materials is also sketched in the light of different force-energy behaviors of different state carbon atoms. Here, structure evolution in each carbon state atom explores its own science.

The evaluation of the piezoelectric properties of ferroelectric ceramics generally has a high level of uncertainty, due to incomplete poling, porosity, domain wall clamping and other effects. In addition, the poling process is often difficult and dangerous, due to the risk of breaking or damaging the sample. A method is described for the evaluation of the potential intrinsic piezoelectric response that a ceramic would have after full poling, without poling it. The method relies on the fact that any material undergoes an elastic softening below the ferroelectric transition temperature, whose magnitude can be expressed in terms of the intrinsic piezoelectric and dielectric coefficients of the material. Such a softening is equivalent to an electromechanical coupling, averaged over all the components due to the unpoled state of the sample, and can be deduced from a single temperature scan of an elastic modulus of a ceramic sample, spanning the ferroelectric and paraelectric states. The strengths, limits and possible applications of the method are discussed.

Sensory evaluation has been widely applied in assessing the quality of many consumer products that directly serve human needs such as food, beverages, clothing, etc. This paper first examined the inherent deficiencies in this approach, due mainly to the essentially subjective nature of human sensory preference. It then argued that instinctively designating certain materials attributes as sensory perceptions is unnecessary; considering every scientific concept is in essence the processed results of our sensory organs/brains, i.e., all quantities were initially human perceptions.  Scientific advances have inevitably generated gradual transformation of such human perceptions as warmth and heaviness into objective parameters measurable in physical quantities like temperature and kilograms. Then using existing successful examples, it demonstrated firmly how the sensory attributes can be assessed by more reliable instrumental methods, and envisioned the key steps to turning a perception into scientifically measurable parameter(s).

The unique porous crystal structure of zeolite offers various important utilizations, it is one of the considerations in selecting zeolite at this study as component of composite for restraining noise. It so happens, previous experiments show that banana stem has porous structure, fibrous, high flexibility and can be applied as material for many various products including as component of acoustic material. The combination of both is alleged that it has capability in absorbing noise. This paper presents an investigation on the composite that it was synthesized of Activated Zeolite and Banana Stem Fibre in various weight for determining its sound absorption coefficient alpha (a). Activating natural zeolite was conducted by using 6M HCl in order for enlarging zeolite pores. The sound absorption coefficient was measured in the frequency range between 125 Hz up to 6000 Hz. The results show that the different weight of banana stem fibre as component of the synthesized composite affects the value of alpha and shifts the frequency area.

The evaluation of the piezoelectric properties of ferroelectric ceramics generally has a high level of uncertainty, due to incomplete poling, porosity, domain wall clamping and other effects. In addition, the poling process is often difficult and dangerous, due to the risk of breaking or damaging the sample. A method is described for the evaluation of the potential intrinsic piezoelectric response that a ceramic would have after full poling, without poling it. The method relies on the fact that any material undergoes an elastic softening below the ferroelectric transition temperature, whose magnitude can be expressed in terms of the intrinsic piezoelectric and dielectric coefficients of the material. Such a softening is equivalent to an electromechanical coupling, averaged over all the components due to the unpoled state of the sample, and can be deduced from a single temperature scan of an elastic modulus of a ceramic sample, spanning the ferroelectric and paraelectric states. The strengths, limits and possible applications of the method are discussed.

Zinc oxide is one of the most important semiconductor metal oxides and one of the most promising n-type materials, but its practical use is limited because of both its high thermal conductivity and its low electrical conductivity. Numerous studies have shown that doping with metals in ZnO structures leads to the modification of the band gap energy. In this work, Al-doped ZnO, Ni-doped ZnO, and undoped ZnO nanocrystalline powders were prepared by sol-gel method coupled with ultrasound irradiation. The doping concentration in ZnO was 1.0 at.% of Al and Ni. Influence of Al³⁺ and Ni²⁺ ions in the ZnO network are explored in this paper. X-ray Diffraction (XRD), Raman Spectroscopy, Nitrogen Adsorption (BET method), X-Ray Fluorescence (XRF) and Field Emission Scanning Electron Microscopy (FESEM) analyses demonstrated the incorporation of metal ions (aluminum and nickel) into the ZnO wurtzite structure. The crystallite size of the sample was decreased from 24.5 nm (ZnO) to 22.0 nm (ZnO-Al) and 21 nm (ZnO-Ni).

Bipolar plates significantly contribute in the development of the polymer electrolyte membrane (PEM) fuel cells technology due to their ability to produce high electrical conductivity based on type of materials used. Mismatching of inappropriate materials and manufacture may lead to the inferior performance of PEM fuel cells. Hence, material development was determined crucial to balance the overall performance of PEM fuels including the mechanical properties and electrical conductivity of the materials. Studies on conductive polymer composites (CPCs) offered filler orientation as an alternative method to enhance the overall performance of bipolar plate. Filler orientations permit an excellent conductivity network formation while controlling the filler alignment based on required applications. This paper reviewed various studies of filler orientations including materials used and methods of manufacture of CPC materials for the effective development of bipolar plate.