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对纯Ni和Ni+H,用EAM多体势的三维分子动力学模拟表明,不论裂纹取向如何,加载时均是首先发射位错,只有当发射足够多的位错后裂纹才扩展,即使对于氢脆,也以局部塑性变形为先导,对于沿(111)滑移面的位错,氢使位错发射的应力强度因子K_(Ie)从0.42降为0.36MPa·m~(1/2);使裂纹开始扩展的临界应力强度因子K_(IP)从0.8降为0.76MPa·m~(1/2),总之,氢促进裂纹的发射和扩展。
For pure Ni and Ni + H, the three-dimensional molecular dynamics simulations using EAM multi-body potential show that dislocations are first emitted regardless of crack orientation and propagate only when enough dislocations are emitted, Hydrogen embrittlement is also guided by local plastic deformation. For the dislocations along the (111) slip plane, the stress intensity factor K ie of dislocation emission decreases from 0.42 to 0.36 MPa · m -1 (1/2) ; The critical stress intensity factor K_ (IP) that caused the crack to begin to expand was reduced from 0.8 to 0.76 MPa · m ~ (1/2). In conclusion, hydrogen promoted the emission and propagation of cracks.