Atomistic Structures discussed in "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture"

The tar file Sigma7_GB.tar contains all data to reproduce the results shown and discussed in the Publication "Segregation-enhanced grain boundary embrittlement of recrystallised tungsten evidenced by site-specific microcantilever fracture", DOI: 10.1016/j.actamat.2023.119256 It contains three folders for the grain boundary creation, decoration with P atoms, and fracture simulations.The naming conventions and additional information are provided in README.txt files in the directories.tar压缩包Sigma7_GB.tar包含了复现学术论文《通过位点特异性微悬臂梁断裂证实的再结晶钨晶界偏析强化脆化》（DOI: 10.1016/j.actamat.2023.119256）中展示与讨论的全部实验数据。该压缩包包含三个子目录，分别对应晶界制备、磷（P）原子饰覆以及断裂模拟实验。各子目录下的README.txt文件中提供了命名规范与补充说明信息。