氢促进纯镍位错发射的分子动力学模拟及实验证明

金属学报, 2002, 38(1): 17-22. doi: 10.3321/j.issn:0412-1961.2002.01.004

氢促进纯镍位错发射的分子动力学模拟及实验证明

李忠吉 ^1, , 李金许 ^2, , 褚武扬 ^3, , 王燕斌 ^4, , 乔利杰 ^5,

1.北京科技大学材料物理系,北京,100083

2.北京科技大学材料物理系,北京,100083

3.北京科技大学材料物理系,北京,100083

4.北京科技大学材料物理系,北京,100083

5.北京科技大学材料物理系,北京,100083

基金项目: 国家自然科学基金(50071010,59871010) 国家重点基础研究发展计划(973计划)(G19990650)

关键词：镍,分子动力学模拟,氢,位错发射、运动,TEM

MOLECULAR DYNAMICS SIMULATION AND EXPERI-MENTAL PROOF OF HYDROGEN-ENHANCED DISLOCATION EMISSION IN NICKEL

采用EAM多体势的分子动力学模拟表明,Ni中固溶的氢能使裂尖发射位错的临界应力强度因子KIe(θ=45°)从1.00 MPa@m1/2降为0.90 MPa@m1/2;使KIe(θ=70°)从0.82 MPa@m1/2降为0.70 MPa@m1/2,即氢能促进位错的发射.另外,氢能使(111)滑移面上的Griffith裂纹解理扩展的临界应力强度因子KIG(θ=0°)从1.03 MPa@m1/2降为0.93 MPa@m1/2,即氢使(111)面的表面能下降,γ*111(H)=0.82γ111,从而促进位错的发射.透射电镜(TEM)原位观察表明,在氢致裂纹形核之前氢就能促进位错的发射和运动.

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氢促进纯镍位错发射的分子动力学模拟及实验证明

MOLECULAR DYNAMICS SIMULATION AND EXPERI-MENTAL PROOF OF HYDROGEN-ENHANCED DISLOCATION EMISSION IN NICKEL

参考文献