A parallel discrete dislocation dynamics/kinetic Monte Carlo method to study non-conservative plastic processes
Non-conservative processes play a fundamental role in plasticity and are behind important
macroscopic phenomena such as creep, dynamic strain aging, loop raft formation, etc. In the …
macroscopic phenomena such as creep, dynamic strain aging, loop raft formation, etc. In the …
Implication of site-specific segregation on grain boundary structural transition and deformation response in nanocrystalline Ni-Nb alloy
In this study, atomistic simulation technique is utilized to examine the impact of grain
boundary (GB) character (disorientation angle), structure (boundary-free volume) and …
boundary (GB) character (disorientation angle), structure (boundary-free volume) and …
Room-temperature vacancy emission from the jog on edge dislocation in FCC nickel under glide force
Y Wang, WR Jian, W Cai - arXiv preprint arXiv:2411.00305, 2024 - arxiv.org
Jogs, atomic-scale steps on dislocations, play an important role in crystal plasticity, yet they
are often ignored in discrete dislocation dynamics (DDD) simulations due to their small …
are often ignored in discrete dislocation dynamics (DDD) simulations due to their small …
Recent advances in accelerated molecular dynamics methods: Theory and applications
D Perez, T Lelièvre - … Computational Chemistry, First …, 2023 - lanlexperts.elsevierpure.com
By providing fully spatio-temporally-resolved atomistic trajectories, Molecular Dynamics
(MD) simulations can reveal fundamental characteristics of the thermodynamics and kinetics …
(MD) simulations can reveal fundamental characteristics of the thermodynamics and kinetics …
ParSplice: strong exa-scaling of molecular dynamics
TD Swinburne - arXiv preprint arXiv:2402.03521, 2024 - arxiv.org
ParSplice D. Perez, ED Cubuk, A. Waterland, E. Kaxiras, and AF Voter, Long-Time
Dynamics through Parallel Trajectory Splicing, Journal of Chemical Theory and …
Dynamics through Parallel Trajectory Splicing, Journal of Chemical Theory and …
Contributions à l'étude de la corrosion à haute température par le dialogue essais-calculs: données, modèles, outils
T Gheno - 2024 - hal.science
Mes travaux visent à mieux comprendre les évolutions chimiques et microstructurales
associées à la corrosion des matériaux métalliques à haute température, et à fournir des …
associées à la corrosion des matériaux métalliques à haute température, et à fournir des …