IMECH-IR  > 流固耦合系统力学重点实验室
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)
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
2018-11-01
Volume154Pages:315-324
ISSN0927-0256
Abstract

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.

KeywordFailure Mechanism Sandwich Structure Molecular Dynamics Thickness-dependence Micro-void Nucleation Dihedral Distribution
DOI10.1016/j.commatsci.2018.08.011
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000444942100040
WOS KeywordScarf Adhesive Joints ; Bonded Joints ; Interfacial Fracture ; Analytical-models ; Thickness ; Loadings ; Chains ; Melts ; Law
WOS Research AreaMaterials Science, Multidisciplinary
WOS SubjectMaterials Science
Funding OrganizationNational Natural Science Foundation of China [11672314] ; National Supercomputing Center in Shenzhen (Shenzhen Cloud Computing Center) ; Computing Facility, Institute of Mechanics, Chinese Academy of Sciences
Classification二类
Ranking1
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Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/77932
Collection流固耦合系统力学重点实验室
Affiliation1.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
Recommended Citation
GB/T 7714
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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