Crack front propagation and fracture in a graphite sheet: A molecular-dynamics study on parallel computers

被引:126
作者
Omeltchenko, A [1 ]
Yu, J [1 ]
Kalia, RK [1 ]
Vashishta, P [1 ]
机构
[1] LOUISIANA STATE UNIV,DEPT COMP SCI,BATON ROUGE,LA 70803
关键词
D O I
10.1103/PhysRevLett.78.2148
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Crack propagation in a graphite sheet is investigated with million atom molecular-dynamics simulations based on Brenner's reactive empirical bend-order potential. For certain crystalline orientations, multiple crack branches with nearly equal spacing sprout as the crack tip reaches a critical speed of 0.6V(R), where V-R is the Rayleigh wave speed. This results in a fracture surface with secondary branches and overhangs. Within the same branch the crack-front profile is characterized by a roughness exponent, alpha = 0.41 +/- 0.05. However, for interbranch fracture surface profiles the return probability yields alpha = 0.71 +/- 0.10. Fracture toughness is estimated from Griffith analysis and local-stress distributions.
引用
收藏
页码:2148 / 2151
页数:4
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