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	Adsorption of Oxygen on Low-Index Surfaces of the TiAl3 Alloy 期刊论文 OAI收割 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：14/0 \| 提交时间：2021/02/02
	Point defects in TiNi-based alloys from ab-initio calculations 期刊论文 OAI收割 MATERIALS TODAY-PROCEEDINGS, 2015, 卷号: 2, 页码: 615-618 Kulkova, S. E.; Bakulin, A. V.; Hu, Q. M.; Yang, R. 收藏 \| 浏览/下载：21/0 \| 提交时间：2016/04/21 point defects electronic structure TiNi-based alloys
	Adsorption and diffusion of oxygen on gamma-TiAl(001) and (100) surfaces 期刊论文 OAI收割 Computational Materials Science, 2015, 卷号: 97, 页码: 55-63 S. E. Kulkova; A. V. Bakulin; Q. M. Hu; R. Yang 收藏 \| 浏览/下载：33/0 \| 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 OAI收割 Journal of Experimental and Theoretical Physics, 2015, 卷号: 120, 期号: 2, 页码: 257-267 A. V.; Kulkova Bakulin, S. E.; Hu, Q. M.; Yang, R. 收藏 \| 浏览/下载：29/0 \| 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
	First-principles investigations of oxygen adsorption at TiNi surface and the TiO2/TiO-TiNi interface 期刊论文 OAI收割 Physica B-Condensed Matter, 2013, 卷号: 426, 页码: 118-126 S. E. Kulkova; A. V. Bakulin; Q. M. Hu; R. Yang 收藏 \| 浏览/下载：13/0 \| 提交时间：2013/12/24 Electronic structure TiNi Oxidation Interface Defects total-energy calculations augmented-wave method low-index surfaces basis-set