Modeling of interface cracking in copper-graphite composites by MD and CFE method

被引:51
作者
Guo, Shi-Jun [1 ]
Yang, Qing-Sheng [1 ]
He, X. Q. [2 ]
Liew, K. M. [2 ]
机构
[1] Beijing Univ Technol, Dept Engn Mech, Beijing 100124, Peoples R China
[2] City Univ Hong Kong, Dept Civil & Architectural Engn, Kowloon, Hong Kong, Peoples R China
关键词
Metal-matrix composites; Nano-structures; Fracture; Interface; MD simulation; MOLECULAR-DYNAMICS SIMULATION; TIP PROCESSES; DISLOCATIONS; DIFFUSION; GRAPHENE; FRACTURE; ENERGY;
D O I
10.1016/j.compositesb.2013.10.042
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Molecular dynamics (MD) method was used to study mechanical properties of copper-graphite composite interface. Mode I fracture of the interface of copper-graphite composite was modeled by considering fixed and free boundary conditions, which means slipping constraint conditions for atomic layers in the composite. The stress near crack tip and the energy changes of the system are obtained. Then a cohesive traction-separation law of copper-graphite interface can also be obtained by using the MD simulation. For the purpose of comparisons, a modeling of interfacial fracture of the composite by using a zero-thickness cohesive finite element (CFE) was carried out. It is found that there is a stress concentration but no singularity for the normal stress at the crack tip in interface obtained by using the present MD simulation and CFE method. While in the interface away from the crack tip, the obtained stress is consistent with the solution of classical interfacial fracture mechanics. (C) 2013 Published by Elsevier Ltd.
引用
收藏
页码:586 / 592
页数:7
相关论文
共 33 条
[1]  
Bachlechner EM, 2005, PHYS REV B
[2]  
Bachlechner ME, 2006, PHYS REV B, V74, P1
[3]   Molecular dynamics simulations of quasi-brittle crack development in iron [J].
Borodin, V. A. ;
Vladimirov, P. V. .
JOURNAL OF NUCLEAR MATERIALS, 2011, 415 (03) :320-328
[4]   A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].
Brenner, DW ;
Shenderova, OA ;
Harrison, JA ;
Stuart, SJ ;
Ni, B ;
Sinnott, SB .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802
[5]  
Choi WY, 2003, PHYS REV B, V68, P19045
[6]   Atomistic simulations of integranular fracture in symmetric-tilt grain boundaries [J].
Cleri, F ;
Phillpot, SR ;
Wolf, D .
INTERFACE SCIENCE, 1999, 7 (01) :45-55
[7]  
COTTERILL RM, 1966, PHYS REV, V145, P465, DOI 10.1103/PhysRev.145.465
[8]   EMBEDDED-ATOM METHOD - DERIVATION AND APPLICATION TO IMPURITIES, SURFACES, AND OTHER DEFECTS IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW B, 1984, 29 (12) :6443-6453
[9]   SEMIEMPIRICAL, QUANTUM-MECHANICAL CALCULATION OF HYDROGEN EMBRITTLEMENT IN METALS [J].
DAW, MS ;
BASKES, MI .
PHYSICAL REVIEW LETTERS, 1983, 50 (17) :1285-1288
[10]   Molecular dynamics simulation of nano-lithography process using atomic force microscopy [J].
Fang, TH ;
Weng, CI ;
Chang, JG .
SURFACE SCIENCE, 2002, 501 (1-2) :138-147