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Prediction on temperature dependent elastic constants of "soft" metal Al by AIMD and QHA 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 45, 页码: 92-97
作者:  Zhang, Haijun;  Li, Chenhui;  Djemia, Philippe;  Yang, Rui;  Hu, Qingmiao
收藏  |  浏览/下载:134/0  |  提交时间:2021/02/02
Elastic constant  First-principle  Molecular dynamics  Vibration  Aluminum  
Prediction on temperature dependent elastic constants of "soft" metal Al by AIMD and QHA 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2020, 卷号: 45, 页码: 92-97
作者:  Zhang, Haijun;  Li, Chenhui;  Djemia, Philippe;  Yang, Rui;  Hu, Qingmiao
收藏  |  浏览/下载:154/0  |  提交时间:2021/02/02
Elastic constant  First-principle  Molecular dynamics  Vibration  Aluminum  
Effect of Re in gamma phase, gamma ' phase and gamma/gamma ' interface of Ni-based single-crystal superalloys 期刊论文
Acta Materialia, 2010, 卷号: 58, 期号: 6, 页码: 2045-2055
作者:  T. Zhu;  C. Y. Wang;  Y. Gan
Adobe PDF(1419Kb)  |  收藏  |  浏览/下载:123/0  |  提交时间:2012/04/13
Molecular Dynamics Simulations  First-principle Electron Theory  Dislocation Structure  Electronic Structure  Nickel Alloys  Embedded-atom Method  Electronic-structure  Molecular-dynamics  Rhenium  Additions  Grain-boundaries  Binary-alloys  Method Model  Hcp Metals  Basis-set  Efficient  
First principle calculation of oxidation of metals 期刊论文
HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 卷号: 461-464, 页码: 161-167
作者:  Zhu, SL;  Teng, YY;  Zhang, FY;  Wang, FH;  Wu, WT
收藏  |  浏览/下载:76/0  |  提交时间:2021/02/02
density functional theory  first principle molecular dynamics  total energy calculation  oxidation  aluminum  
First principle calculation of oxidation of metals 期刊论文
HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 6, PRT 1 AND 2, PROCEEDINGS, 2004, 卷号: 461-464, 页码: 161-167
作者:  Zhu, SL;  Teng, YY;  Zhang, FY;  Wang, FH;  Wu, WT
收藏  |  浏览/下载:73/0  |  提交时间:2021/02/02
density functional theory  first principle molecular dynamics  total energy calculation  oxidation  aluminum