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Alloying Effect on the Stability of Ti5Si3 from First-Principles Study 期刊论文
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2022, 页码: 8
Authors:  Cao, Shuo;  Li, Yang;  Zhang, Lian-Ji;  Yang, Yan-Ting;  Liu, Jian-Rong;  Yang, Rui;  Hu, Qing-Miao
Favorite  |  View/Download:49/0  |  Submit date:2022/07/01
alloying  creep resistance  DFT  enthalpy of solution  Ti5Si3  
Twinning pathways in Fe and Fe-Cr alloys from first-principles theory 期刊论文
ACTA MATERIALIA, 2021, 卷号: 215, 页码: 14
Authors:  Wang, Ci;  Schonecker, Stephan;  Li, Wei;  Yang, Yaochun;  Hu, Qing-Miao;  Vitos, Levente
Favorite  |  View/Download:101/0  |  Submit date:2021/10/15
Deformation twinning  Generalized stacking fault energy  Ferrite  Fe-Cr alloys  First-principles calculations  
Influence of lattice distortion on stacking fault energies of CoCrFeNi and Al-CoCrFeNi high entropy alloys 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2020, 卷号: 846, 页码: 10
Authors:  Qiu, Shi;  Zhang, Xue-Chun;  Zhou, Jian;  Cao, Shuo;  Yu, Hui;  Hu, Qing-Miao;  Sun, Zhimei
Favorite  |  View/Download:188/0  |  Submit date:2021/02/02
High entropy alloys  Stacking fault energy  Lattice distortion  Density functional theory  
Ab initio study of the elastic properties of body-centered cubic Ti-Mo-based alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2020, 卷号: 172, 页码: 9
Authors:  Yang, Yaochun;  Zhang, Hualei;  Sun, Qiaoyan;  Hu, Qing-Miao;  Ding, Xiangdong;  Wang, Yunzhi;  Vitos, Levente
Favorite  |  View/Download:106/0  |  Submit date:2021/02/02
Ti alloys  Elastic properties  Alloy design  Single-crystal Young's modulus  EMTO-CPA  First-principles calculations  
Site Occupation of Nb in gamma-TiAl: Beyond the Point Defect Gas Approximation 期刊论文
ACTA METALLURGICA SINICA-ENGLISH LETTERS, 2019, 卷号: 32, 期号: 12, 页码: 1511-1520
Authors:  Diao, Wei;  Ye, Li-Hua;  Ji, Zong-Wei;  Yang, Rui;  Hu, Qing-Miao
Favorite  |  View/Download:70/0  |  Submit date:2021/02/02
Site preference  Titanium aluminides  Special quasi-random structures  First principles method  
High efficiency and fast van der Waals hetero-photodiodes with a unilateral depletion region 期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: 8
Authors:  Wu, Feng;  Li, Qing;  Wang, Peng;  Xia, Hui;  Wang, Zhen;  Wang, Yang;  Luo, Man;  Chen, Long;  Chen, Fansheng;  Miao, Jinshui;  Chen, Xiaoshuang;  Lu, Wei;  Shan, Chongxin;  Pan, Anlian;  Wu, Xing;  Ren, Wencai;  Jariwala, Deep;  Hu, Weida
Favorite  |  View/Download:81/0  |  Submit date:2021/02/02
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
Authors:  Zhu, Jia-Lin;  Cao, Shuo;  Wang, Yunzhi;  Yang, Rui;  Hu, Qing-Miao
Favorite  |  View/Download:76/0  |  Submit date:2021/02/02
Titanium alloys  Phase transformation  Variant selection  First-principles calculation