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Adsorption of Oxygen on Low-Index Surfaces of the TiAl3 Alloy 期刊论文
JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS, 2016, 卷号: 123, 期号: 6, 页码: 991-1007
作者:  Latyshev, A. M.;  Bakulin, A. V.;  Kulkova, S. E.;  Hu, Q. M.;  Yang, R.
收藏  |  浏览/下载:100/0  |  提交时间:2021/02/02
Adsorption and diffusion of oxygen on gamma-TiAl(001) and (100) surfaces 期刊论文
Computational Materials Science, 2015, 卷号: 97, 页码: 55-63
作者:  S. E. Kulkova;  A. V. Bakulin;  Q. M. Hu;  R. Yang
收藏  |  浏览/下载:135/0  |  提交时间:2015/01/14
Adsorption  Tial Surfaces  Oxygen Diffusion  Electronic Structure  Density-functional Theory  Total-energy Calculations  Titanium-aluminum-alloys  Wave Basis-set  Oxidation Behavior  Ti-al  Initial Oxidation  Elastic-constants  1st-principles  Hydrogen  
Theoretical study of oxygen sorption and diffusion in the volume and on the surface of a gamma-TiAl alloy 期刊论文
Journal of Experimental and Theoretical Physics, 2015, 卷号: 120, 期号: 2, 页码: 257-267
作者:  A. V.;  Kulkova Bakulin, S. E.;  Hu, Q. M.;  Yang, R.
收藏  |  浏览/下载:134/0  |  提交时间:2015/05/08
Total-energy Calculations  Wave Basis-set  Titanium Aluminides  Oxidation Behavior  Initial Oxidation  Elastic-constants  Al  Adsorption  Hydrogen  System  
Point defects in TiNi-based alloys from ab-initio calculations 期刊论文
MATERIALS TODAY-PROCEEDINGS, 2015, 卷号: 2, 页码: 615-618
作者:  Kulkova, S. E.;  Bakulin, A. V.;  Hu, Q. M.;  Yang, R.;  kulkova@ms.tsc.ru
收藏  |  浏览/下载:114/0  |  提交时间:2016/04/21
Point Defects  Electronic Structure  Tini-based Alloys  
First-principles investigations of oxygen adsorption at TiNi surface and the TiO2/TiO-TiNi interface 期刊论文
Physica B-Condensed Matter, 2013, 卷号: 426, 页码: 118-126
作者:  S. E. Kulkova;  A. V. Bakulin;  Q. M. Hu;  R. Yang
收藏  |  浏览/下载:117/0  |  提交时间:2013/12/24
Electronic Structure  Tini  Oxidation  Interface  Defects  Total-energy Calculations  Augmented-wave Method  Low-index Surfaces  Basis-set