DFT-based Monte Carlo Trajectories for Surface Segregation of Disordered FCC AuCuPd Alloys
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/10501323
下载链接
链接失效反馈官方服务：
资源简介：
A zip file containing 600 subfolders named as "mc_run_$idx"". Each subfolder contains an "analysis.json" and "run_state.json" containing an analysis of the surface segregation output and describing the simulation (the composition of the bulk slab, whether the simulation encountered any errors, etc). Optionally also includes a "job.out" with job logs.
创建时间：
2024-05-28
