Numerical Modeling of Materials under Extreme Conditions

• Other Authors: Shen, Yao (Editor), Gao, Ning (Editor)
• Format: Electronic Book Chapter
• Language: English
• Published: Basel MDPI - Multidisciplinary Digital Publishing Institute 2023
• Subjects: Technology: general issues; History of engineering & technology; Mining technology & engineering; uranium; molybdenum; molecular dynamics; interatomic potential; Mo-Re alloy; Na adsorption and diffusion; surface vacancy; first-principles calculation; clustering; diffusivity; Na solvent; Mo or Re solute; ab initio molecular dynamics; atomic simulations; dislocation loop; vacancy defect; tungsten; FeCrAl; elastic properties; temperature effect; uranium dioxide; Frenkel pairs; antisites; elastic modulus; thermal expansion; UO2; grain boundary; Xe bubble; Xe; Kr; occupation; diffusion; nucleation; ReaxFF; corrosion; Fe-H2O interface; free volume; strain effect; micro-cracking; center pillar; side crash simulation; patchwork; partial softening; energy distribution; NiTi; shape memory alloy; strain rate effect; thermomechanical; n/a
• Online Access: DOAB: download the publication; DOAB: description of the publication

In this reprint, the underlying damage mechanisms of materials used under extreme conditions are explored using computer simulation and modelling methods, presenting important information to predict the lifetime of related facilities. The scope of this reprint embraces numerical work on material res...