钨
原子间势
材料科学
辐射损伤
辐射
物理
分子动力学
光学
计算机科学
化学
计算化学
冶金
作者
Jesper Byggmästar,A. Hamedani,K. Nordlund,Flyura Djurabekova
出处
期刊:Physical review
[American Physical Society]
日期:2019-10-17
卷期号:100 (14)
被引量:106
标识
DOI:10.1103/physrevb.100.144105
摘要
Tungsten will be used as a plasma-facing material in fusion power reactors, where the absorption of high-energy neutrons leads to permanent damage in the crystal structure. A comprehensive understanding of the atom-level damage in tungsten has been limited by the slowness of quantum simulations and the insufficient accuracy of classical simulations. This study bridges the gap between the two by developing a machine-learning interatomic potential that allows the simulation of tungsten in extreme environments with quantum accuracy.
科研通智能强力驱动
Strongly Powered by AbleSci AI