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Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation
Meng CY(孟昶宇); Liao LJ(廖丽涓); Huang CG(黄晨光)
2018-11-01
发表期刊COMPUTATIONAL MATERIALS SCIENCE
卷号154页码:315-324
ISSN0927-0256
摘要

The tensile failure mechanism of Cu-Polyethylene (PE)-Cu (CPC) sandwich structure was clarified by molecular dynamics (MD) simulations subjected to a uniaxial tensile loading at microscopic scale. The sensitivity analysis of parameters such as mixing rules in describing the interaction between the wall (Cu) and the sandwich layer (PE), model size, relaxation time for equilibrium and initial velocity distribution was carried out to verify the rationality of modeling. The evolutions of stress-strain relationship and each potential energy component were provided to describe the failure process of the structure. The peak of non-bond energy shows a delay compared to the yield point in stress-strain curve, which coincides with the local maximum point of the trans-fraction curve of dihedral angles. After that, an inflexion appeared in the trans-fraction curve indicates an energy transport process, which corresponds with the slope change of the stress-strain curve. It is assumed that the dihedral distribution plays a crucial role in the damage process of CPC structure. In addition, the temperature field and the density profile were adopted to predict the position of damage initiation, which was confirmed by the microstructure evolution. The intrinsic thickness-dependence of CPC was explored by taking the coupling effect of bridging and entanglement into account, which is in reverse proportion with the yield strength of CPC.

关键词Failure Mechanism Sandwich Structure Molecular Dynamics Thickness-dependence Micro-void Nucleation Dihedral Distribution
DOI10.1016/j.commatsci.2018.08.011
URL查看原文
收录类别SCI ; EI
语种英语
WOS记录号WOS:000444942100040
关键词[WOS]Scarf Adhesive Joints ; Bonded Joints ; Interfacial Fracture ; Analytical-models ; Thickness ; Loadings ; Chains ; Melts ; Law
WOS研究方向Materials Science, Multidisciplinary
WOS类目Materials Science
项目资助者National Natural Science Foundation of China [11672314] ; National Supercomputing Center in Shenzhen (Shenzhen Cloud Computing Center) ; Computing Facility, Institute of Mechanics, Chinese Academy of Sciences
论文分区二类
力学所作者排名1
引用统计
文献类型期刊论文
条目标识符http://dspace.imech.ac.cn/handle/311007/77932
专题流固耦合系统力学重点实验室
作者单位1.Chinese Acad Sci, Inst Mech, Key Lab Mech Fluid Solid Coupling Syst, 15 Beisihuan West Rd, Beijing 100190, Peoples R China
2.Univ Chinese Acad Sci, Sch Engn Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China
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Meng CY,Liao LJ,Huang CG. Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation[J]. COMPUTATIONAL MATERIALS SCIENCE,2018,154:315-324.
APA Meng CY,Liao LJ,&Huang CG.(2018).Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation.COMPUTATIONAL MATERIALS SCIENCE,154,315-324.
MLA Meng CY,et al."Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation".COMPUTATIONAL MATERIALS SCIENCE 154(2018):315-324.
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