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An efficient scheme for accelerating the calculation of stacking fault energy in multi-principal element alloys 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2024, 卷号: 175, 页码: 204-211
作者:  Sun, Haoran;  Ding, Zhigang;  Sun, Hao;  Zhou, Junjun;  Ren, Ji-Chang;  Hu, Qingmiao;  Liu, Wei
收藏  |  浏览/下载：29/0  |  提交时间：2024/01/08
Multi-principal element alloys  Stacking fault energy  Density functional theory  High-throughput calculation  
Transformation of non-screw super-dislocation dipoles in M3Al (M=Ni, Fe, Ti) intermetallics: High-throughput atomistic modeling 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 958, 页码: 14
作者:  Zhen, Z.;  Wang, S. Y.;  Liu, R. L.;  Meng, Z. C.;  Teng, C. Y.;  Xu, D. S.;  Bai, C. G.;  Zhang, Y. W.;  Wang, H.;  Yang, R.
收藏  |  浏览/下载：10/0  |  提交时间：2024/01/07
Intermetallics  Dislocation  Point defect  Activation -relaxation technique  High -throughput calculation  
Integrating data mining and machine learning to discover high-strength ductile titanium alloys 期刊论文
ACTA MATERIALIA, 2021, 卷号: 202, 页码: 211-221
作者:  Zou, Chengxiong;  Li, Jinshan;  Wang, William Yi;  Zhang, Ying;  Lin, Deye;  Yuan, Ruihao;  Wang, Xiaodan;  Tang, Bin;  Wang, Jun;  Gao, Xingyu;  Kou, Hongchao;  Hui, Xidong;  Zeng, Xiaoqin;  Qian, Ma;  Song, Haifeng;  Liu, Zi-Kui;  Xu, Dongsheng
收藏  |  浏览/下载：183/0  |  提交时间：2021/03/15
High-throughput calculation  Machine learning  Electron work function  Similar atomic environment  Bonding charge density