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First-Principles Study on Free Energy and Elastic Properties of Disordered beta-Ti1-xNbx Alloy: Comparison Between SQS and CPA 期刊论文
ACTA METALLURGICA SINICA, 2020, 卷号: 56, 期号: 9, 页码: 1304-1312
作者:  Zhang Haijun;  Qiu Shi;  Sun Zhimei;  Hu Qingmiao;  Yang Rui
收藏  |  浏览/下载：187/0  |  提交时间：2021/02/02
titanium alloy  random solid solution  special quasirandom structure  coherent potential approximation  elastic constant  first-principles calculation  
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：136/0  |  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：157/0  |  提交时间：2021/02/02
Elastic constant  First-principle  Molecular dynamics  Vibration  Aluminum  
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
收藏  |  浏览/下载：126/0  |  提交时间：2021/02/02
First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
First-principles study of dopant stability and related optical properties in CdSiP2 crystal 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 802, 页码: 310-317
作者:  Wang, Ci;  Zhang, Jian;  Hu, Qingmiao;  Tao, Xutang
收藏  |  浏览/下载：136/0  |  提交时间：2021/02/02
First-principles calculations  CdSiP2  Doping defects  Formation energy  Optical property  
First-Principles Study on the Impact of Antisite Defects on the Mechanical Properties of TiAl-Based Alloys 期刊论文
ACTA METALLURGICA SINICA, 2019, 卷号: 55, 期号: 5, 页码: 673-682
作者:  Ji Zongwei;  Lu Song;  Yu Hui;  Hu Qingmiao;  Levente, Vitos;  Yang Rui
收藏  |  浏览/下载：161/0  |  提交时间：2021/02/02
antisite defect  TiAl-based alloy  generalized stacking fault energy  plastic deformation  
First-Principles Study on the Impact of Antisite Defects on the Mechanical Properties of TiAl-Based Alloys 期刊论文
ACTA METALLURGICA SINICA, 2019, 卷号: 55, 期号: 5, 页码: 673-682
作者:  Ji Zongwei;  Lu Song;  Yu Hui;  Hu Qingmiao;  Levente, Vitos;  Yang Rui
收藏  |  浏览/下载：120/0  |  提交时间：2021/02/02
antisite defect  TiAl-based alloy  generalized stacking fault energy  plastic deformation  
Properties of beta/omega phase interfaces in Ti and their implications on mechanical properties and omega morphology 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 158, 页码: 49-57
作者:  Cao, Shuo;  Jiang, Yong;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：144/0  |  提交时间：2021/02/02
Titanium alloys  Generalized stacking fault energy  Interface energy  First-principles calculations  
First-principles investigations of omega variant selection during athermal beta -> omega transformation of binary Ti-xMo alloy 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 524-533
作者:  Zhu, Jia-Lin;  Cao, Shuo;  Wang, Yunzhi;  Yang, Rui;  Hu, Qing-Miao
收藏  |  浏览/下载：137/0  |  提交时间：2021/02/02
Titanium alloys  Phase transformation  Variant selection  First-principles calculation