中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation

文献类型:期刊论文

作者Liao LJ(廖丽涓); Meng CY(孟昶宇); Huang CG(黄晨光)
刊名MOLECULAR SIMULATION
出版日期2018
卷号44期号:12页码:1016-1024
关键词Chain Branching Polyethylene (Pe) Mechanical Properties Molecular Dynamics (Md) Simulation Atomic Scale
ISSN号0892-7022
DOI10.1080/08927022.2018.1471690
文献子类Article
英文摘要

The effects of length and content of chain branching on the mechanical properties of polyethylene (PE) in atomic scale were examined by molecular dynamics (MD) simulations. Methyl-, ethyl- and butyl-groups were adopted as branched chains to distribute along PE backbones. Plastic flow deformation was captured by providing a uniaxial tensile loading at a given strain rate, which shows the characteristic of rate dependence. Current results are in reasonable agreements with existing experimental data. The statistical results show that the longer length of chain branching induces lower equilibrium density and higher yield strength of branched PE. In addition, higher content of chain branching brings higher equilibrium density and lower yield strength of branched PE. It is assumed that the distribution of dihedral angles influences the deformation of PE definitely. The non-bond interactions contribute to the load-bearing capacity of PE largely. Branched PE shows big differences on mechanical behaviours comparing with the linear one. Chain branching distribution also greatly affects the performance of PE, which needs a further discussion.

分类号Q3
WOS关键词LOW-DENSITY POLYETHYLENE ; FORCE-FIELD ; IMPACT PROPERTIES ; POLYMER ; LENGTH ; ENTANGLEMENTS ; DEFORMATION ; ANISOTROPY ; INTERFACE ; PROTEINS
WOS研究方向Chemistry ; Physics
语种英语
WOS记录号WOS:000434194300008
资助机构National Natural Science Funds of China(11672314)
源URL[http://dspace.imech.ac.cn/handle/311007/77504]  
专题力学研究所_流固耦合系统力学重点实验室(2012-)
推荐引用方式
GB/T 7714
Liao LJ,Meng CY,Huang CG. Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation[J]. MOLECULAR SIMULATION,2018,44(12):1016-1024.
APA Liao LJ,Meng CY,&Huang CG.(2018).Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation.MOLECULAR SIMULATION,44(12),1016-1024.
MLA Liao LJ,et al."Study on mechanical properties of polyethylene with chain branching in atomic scale by molecular dynamics simulation".MOLECULAR SIMULATION 44.12(2018):1016-1024.

入库方式: OAI收割

来源:力学研究所

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