Ontology highlight
ABSTRACT:
SUBMITTER: Tang H
PROVIDER: S-EPMC10837361 | biostudies-literature | 2024 Feb
REPOSITORIES: biostudies-literature
Tang Hao H Li Boning B Song Yixuan Y Liu Mengren M Xu Haowei H Wang Guoqing G Chung Heejung H Li Ju J
Advanced science (Weinheim, Baden-Wurttemberg, Germany) 20231207 5
Diffusion in alloys is an important class of atomic processes. However, atomistic simulations of diffusion in chemically complex solids are confronted with the timescale problem: the accessible simulation time is usually far shorter than that of experimental interest. In this work, long-timescale simulation methods are developed using reinforcement learning (RL) that extends simulation capability to match the duration of experimental interest. Two special limits, RL transition kinetics simulator ...[more]