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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
Authors:  Sun, Haoran;  Ding, Zhigang;  Sun, Hao;  Zhou, Junjun;  Ren, Ji-Chang;  Hu, Qingmiao;  Liu, Wei
Favorite  |  View/Download：20/0  |  Submit date：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
Authors:  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.
Favorite  |  View/Download：8/0  |  Submit date：2024/01/07
Intermetallics  Dislocation  Point defect  Activation -relaxation technique  High -throughput calculation  
High-throughput study of the anomalous Hall effect 期刊论文
NPJ COMPUTATIONAL MATERIALS, 2023, 卷号: 9, 期号: 1, 页码: 8
Authors:  Zelezny, Jakub;  Yahagi, Yuta;  Ollivella, Carles-Gomez;  Zhang, Yang;  Sun, Yan
Favorite  |  View/Download：4/0  |  Submit date：2024/01/08
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
Authors:  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
Favorite  |  View/Download：180/0  |  Submit date：2021/03/15
High-throughput calculation  Machine learning  Electron work function  Similar atomic environment  Bonding charge density  
Studies on the defect structure for Cu(2+) in CdSe nanocrystals 期刊论文
Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy, 2010, 卷号: 75, 期号: 1, 页码: 230-234
Authors:  S. Y. Wu;  H. M. Zhang;  P. Xu;  S. X. Zhang
Adobe PDF(157Kb)  |  Favorite  |  View/Download：84/0  |  Submit date：2012/04/13
Electron Paramagnetic Resonance  Crystal-fields And Spin Hamiltonians  Cu(2+)  Cdse Nanocrystals  Atomic Screening Constants  Electron-paramagnetic-res  Quantum Dots  Fine-structure  Capped Cdse  Scf Functions  Epr  Ions  Nanoparticles  Resonance  
CALCULATED MIXING ENTHALPIES OF 11 IIB-IVB AND IIB-VB BINARY ALLOY SYSTEMS USING A SUBREGULAR MODEL 期刊论文
Journal of Mining and Metallurgy Section B-Metallurgy, 2010, 卷号: 46, 期号: 2, 页码: 141-151
Authors:  Z. Bangwei;  S. Xiaolin;  L. Shuzhi;  Y. Xiaojian;  X. Haowen
Adobe PDF(651Kb)  |  Favorite  |  View/Download：110/0  |  Submit date：2012/04/13
Theoretical Calculations Of The Mixing Enthalpies  Iib-ivb And Iib-vb  Alloy Systems  Subregular Model  Sn  Bismuth  Tin