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First-principles design of high strength refractory high-entropy alloys 期刊论文
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T, 2024, 卷号: 29, 页码: 3420-3436
作者:  Liu, Pengjing;  Zhang, Hualei;  Hu, Qingmiao;  Ding, Xiangdong;  Sun, Jun
收藏  |  浏览/下载：1/0  |  提交时间：2025/04/27
Multi -principal element alloys  Solid solution strengthening  Hardness and strength  Elastic properties  Anisotropy  Ab initio calculations  
STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS 期刊论文
MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157
作者:  Liu, Jide;  Wang, Xue;  Du, Xaoming;  Xie, Ming;  Li, Jinguo;  Zhao, Shangqiang;  Zhou, Yizhou;  Zhang, Qiao;  Fang, Jiheng
收藏  |  浏览/下载：132/0  |  提交时间：2022/07/01
AgNi10 alloy  ab initio calculations  elastic anisotropy  thermodynamic properties  
Structure-composition-property correlations of symmetrical tilt grain boundaries in copper-based binary alloys 期刊论文
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 2021, 卷号: 154, 页码: 9
作者:  Xue, Hongtao;  Lei, Chao;  Tang, Fuling;  Li, Xiuyan;  Luo, Yaqiao;  Ren, Junqiang;  Lu, Xuefeng
收藏  |  浏览/下载：125/0  |  提交时间：2021/10/15
Alloys  Ab initio calculations  Electronic structure  Thermodynamic properties  Mechanical properties  
AN AB INITIO INVESTIGATION OF THE EFFECT OF Co, Ru, W, Ta ON THE STABILITY AND ELECTRONIC PROPERTIES OF Ni-BASE SINGLE CRYSTAL SUPERALLOYS 期刊论文
DIGEST JOURNAL OF NANOMATERIALS AND BIOSTRUCTURES, 2020, 卷号: 15, 期号: 4, 页码: 1215-1226
作者:  Liu, J.;  Du, X.;  Li, J.
收藏  |  浏览/下载：138/0  |  提交时间：2021/03/15
Site occupancy  Ab initio calculations  Ni-based single crystal superalloys  Electronic structure  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
作者:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
收藏  |  浏览/下载：109/0  |  提交时间：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Large influence of vacancies on the elastic constants of cubic epitaxial tantalum nitride layers grown by reactive magnetron sputtering 期刊论文
ACTA MATERIALIA, 2020, 卷号: 184, 页码: 254-266
作者:  Abadias, Gregory;  Li, Chen-Hui;  Belliard, Laurent;  Hu, Qing Miao;  Greneche, Nicolas;  Djemia, Philippe
收藏  |  浏览/下载：128/0  |  提交时间：2021/02/02
Nitrides  Thin films  Elastic constants  Point defects  Ab initio calculations  
Energetics analysis of interstitial loops in single-phase concentrated solid-solution alloys 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2018, 卷号: 501, 页码: 94-103
作者:  Wang, XX;  Niu, LL;  Wang, SQ;  Wang, XX (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Liaoning, Peoples R China.
收藏  |  浏览/下载：130/0  |  提交时间：2018/06/05
Stacking-fault Energy  Radiation-induced Segregation  High-entropy Alloys  Ab-initio Calculations  Ni-based Alloys  Molecular-dynamics  Defect Evolution  Fcc Metals  Gamma-fe  Irradiation  
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
收藏  |  浏览/下载：202/0  |  提交时间：2018/06/05
Total-energy Calculations  Augmented-wave Method  Doped Basno3  Ab-initio  Barium Stannate  1st Principles  Thin-films  Basis-set  Perovskite  Ceramics  
First-principles investigations on structural stability, mechanical, and thermodynamic properties of LaT2Al20 (T = Ti, V, Cr, Nb, and Ta) intermetallic cage compounds 期刊论文
CHINESE PHYSICS B, 2018, 卷号: 27, 期号: 12
作者:  Quan Shanyu;  Zhang Xudong;  Liu Cong;  Jiang Wei
收藏  |  浏览/下载：108/0  |  提交时间：2021/02/02
MAGNETIC-PROPERTIES  CRYSTAL-STRUCTURE  PRECIPITATION KINETICS  THERMAL-PROPERTIES  ELASTIC PROPERTIES  PHASE-STABILITY  AB-INITIO  ZR  SC  ALLOYS  LaT2Al20 intermetallics  mechanical properties  anisotropic properties  dynamical and thermodynamic properties  first-principles calculations  
Influence of alloying elements on stability and adhesion ability of TiAl/TiO2 interface by first-principles calculations 期刊论文
INTERMETALLICS, 2017, 卷号: 85, 页码: 80-89
作者:  Dai, J. H.;  Song, Y.;  Yang, R.;  Song, Y (reprint author), Harbin Inst Technol Weihai, Sch Mat Sci & Engn, 2 West Wenhua Rd, Weihai 264209, Peoples R China.
收藏  |  浏览/下载：124/0  |  提交时间：2017/08/17
Titanium Aluminides, Based On Tial  Oxidation  Ab-initio Calculations  Phase Interfaces