ARTICLE
|
doi:10.20944/preprints201801.0069.v1
Subject:
Chemistry And Materials Science,
Theoretical Chemistry
Keywords:
meta-aminobenzoic acid; solvation; aggregation; polymorphism; atomistic simulations
Online: 8 January 2018 (12:12:25 CET)
ARTICLE
|
doi:10.20944/preprints202403.1699.v1
Subject:
Chemistry And Materials Science,
Electronic, Optical And Magnetic Materials
Keywords:
atomistic simulation; point defect; defect structure; rare earth dopant; magnesium oxide
Online: 28 March 2024 (12:00:23 CET)
ARTICLE
|
doi:10.20944/preprints202307.0602.v1
Subject:
Engineering,
Metallurgy And Metallurgical Engineering
Keywords:
dislocation plasticity; diffusion; hydrogen induced cracking; atomistic and multiscale simulations; local stresses; grain boundary
Online: 10 July 2023 (10:12:44 CEST)
ARTICLE
|
doi:10.20944/preprints202209.0184.v1
Subject:
Chemistry And Materials Science,
Polymers And Plastics
Keywords:
unentangled systems; constitutive modeling; materials functions; non-affine parameter; slip parameter; conformation tensor; NEMD simulations; atomistic simulations; polyethylene
Online: 14 September 2022 (02:54:18 CEST)