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纳米叠层石墨烯/Cu 复合材料在压缩下增强机制的分子动力学研究。

Molecular dynamics study of strengthening mechanism of nanolaminated graphene/Cu composites under compression.

机构信息

College of Aerospace Engineering, Chongqing University, Chongqing, 400044, P. R. China.

Key Laboratory of Optoelectronic Technology & Systems, Education Ministry of China, Chongqing University, Chongqing, 400044, P.R. China.

出版信息

Sci Rep. 2018 Feb 15;8(1):3089. doi: 10.1038/s41598-018-21390-1.

DOI:10.1038/s41598-018-21390-1
PMID:29449626
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5814566/
Abstract

Molecular dynamics simulations of nanolaminated graphene/Cu (NGCu) and pure Cu under compression are conducted to investigate the underlying strengthening mechanism of graphene and the effect of lamella thickness. It is found that the stress-strain curves of NGCu undergo 3 regimes i.e. the elastic regime I, plastic strengthening regime II and plastic flow regime III. Incorporating graphene monolayer is proved to simultaneously contribute to the strength and ductility of the composites and the lamella thickness has a great effect on the mechanical properties of NGCu composites. Different strengthening mechanisms play main role in different regimes, the transition of mechanisms is found to be related to the deformation behavior. Graphene affected zone is developed and integrated with rule of mixtures and confined layer slip model to describe the elastic properties of NGCu and the strengthening effect of the incorporated graphene.

摘要

采用分子动力学模拟方法研究了纳米叠层石墨烯/铜(NGCu)和纯铜在压缩条件下的变形行为,以探究石墨烯的强化机理和叠层厚度的影响。结果表明,NGCu 的应力-应变曲线经历了 3 个阶段,即弹性阶段 I、强化阶段 II 和塑性流动阶段 III。研究表明,在复合材料中加入单层石墨烯可同时提高复合材料的强度和延展性,且叠层厚度对 NCGu 复合材料的力学性能有很大的影响。不同的强化机制在不同阶段起主要作用,机制的转变与变形行为有关。研究还发展了石墨烯影响区,并结合混合定则和受限层滑移模型来描述 NCGu 的弹性性能和所加入石墨烯的强化效果。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/f545d6b41e5c/41598_2018_21390_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/6117c00590d1/41598_2018_21390_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/63307f8341c9/41598_2018_21390_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/2c0ce12a2afb/41598_2018_21390_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/ac5627af23ac/41598_2018_21390_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/dfda5c57730d/41598_2018_21390_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/d4e94ee58b2a/41598_2018_21390_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/dbe09d69daaa/41598_2018_21390_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/f545d6b41e5c/41598_2018_21390_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/6117c00590d1/41598_2018_21390_Fig1_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/63307f8341c9/41598_2018_21390_Fig2_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/2c0ce12a2afb/41598_2018_21390_Fig3_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/ac5627af23ac/41598_2018_21390_Fig4_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/dfda5c57730d/41598_2018_21390_Fig5_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/d4e94ee58b2a/41598_2018_21390_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/dbe09d69daaa/41598_2018_21390_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f40f/5814566/f545d6b41e5c/41598_2018_21390_Fig8_HTML.jpg

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