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	First-principles study of the bonding characteristics of TiAl(111)/Al2O3(0001) interface 期刊论文 OAI收割 Intermetallics, 2015, 卷号: 60, 页码: 58-65 B. D.; Dai Wang, J. H.; Wu, X.; Song, Y.; Yang, R. 收藏 \| 浏览/下载：31/0 \| 提交时间：2015/05/08 Intermetallics Oxidation Ab-initio calculations Phase interfaces alpha-al2o3 0001 surface initio molecular-dynamics titanium aluminide alloys augmented-wave method ti-al intermetallics ab-initio oxidation behavior gamma-tial(111) surface electronic-structure universal features
	First-principles study of influence of Ti vacancy and Nb dopant on the bonding of TiAl/TiO2 interface 期刊论文 OAI收割 Intermetallics, 2014, 卷号: 49, 页码: 1-6 Y. Song; F. J. Xing; J. H. Dai; R. Yang 收藏 \| 浏览/下载：18/0 \| 提交时间：2014/07/03 Titanium aluminides based on TiAl Oxidation Ab-initio calculations Phase interfaces oxidation behavior gamma-tial(111) surface titanium aluminides initial oxidation alloys temperature resistance growth energy oxygen
	Oxygen adsorption on gamma-TiAl surfaces and the related surface phase diagrams: A density-functional theory study 期刊论文 OAI收割 Acta Materialia, 2013, 卷号: 61, 期号: 5, 页码: 1726-1738 L. Wang; J. X. Shang; F. H. Wang; Y. Chen; Y. Zhang 收藏 \| 浏览/下载：27/0 \| 提交时间：2013/12/24 Titanium aluminides Surface phase diagram Oxidation DFT total-energy calculations titanium-aluminum-alloys augmented-wave method initial oxidation gamma-tial(111) surface al intermetallics basis-set behavior 1st-principles interface
	Initial Oxidation of gamma-TiAl(111) Surface: Density-functional Theory Study 期刊论文 OAI收割 Journal of Materials Science & Technology, 2009, 卷号: 25, 期号: 4, 页码: 569-576 H. Li; S. Q. Wang; H. Q. Ye 收藏 \| 浏览/下载：19/0 \| 提交时间：2012/04/13 Density-functional theory gamma-TiAl Surface Oxidation ti-al intermetallics alloys oxygen 1st-principles behavior adsorption interfaces nial(110) exchange al(111)