Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

材料科学技术（英）, 2006, 22(1): 135-138.

^1, , ^2, , ^3, , ^4,

1.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences Shenyang 110016, China

2.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences Shenyang 110016, China

3.Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences Shenyang 110016, China;International Centre for Materials Physics, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China

4.Dept. of MIME, University of Toledo, Toledo, OH 43606, USA

基金项目: 中国科学院资助项目(50371087,90206044) Special Funds for the Major State Basic Research Project of China(G2000067104)

Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

Keywords： Hydrogen

The effect of interstitial hydrogen on the cohesion of the Al ∑=11(113) grain boundary (GB) is investigated based on the thermodynamic model of Rice-Wang using the first-principles density function calculation. The results indicate that interstitial H behaves as an embrittler from "strengthening energy" analysis. The reduced GB cohesion due to the presence of H at the GB is attributed to the low affinity between H and Al, and the weakened bonding of Al atomic pairs perpendicular to GB plane.

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Effect of Interstitial Hydrogen on Cohesive Strength of Al Grain Boundary with Mg Segregation

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