力学

基于分子动力学的石墨烯/ 碳化硅复合材料力学性能研究

展开
  • 华南理工大学 土木与交通学院,广东 广州 510640
湛家铭( 1993-) ,男,博士生,主要从事计算力学方法和分子模拟研究. E-mail:zhan.jm@mail.scut.edu.cn

收稿日期: 2017-01-16

  网络出版日期: 2020-11-23

基金资助

国家自然科学基金资助项目( 11672110, 11372113)

A Probe into Mechanical Properties of Graphene/ SiC Composites Based on Molecular Dynamics

Expand
  • School of Civil Engineering and Transportation,South China University of Technology,Guangzhou 510640,Guangdong,China
湛家铭( 1993-) ,男,博士生,主要从事计算力学方法和分子模拟研究. E-mail:zhan.jm@mail.scut.edu.cn

Received date: 2017-01-16

  Online published: 2020-11-23

Supported by

Supported by the National Natural Science Foundation of China( 11672110, 11372113)

摘要

为揭示复合材料在拉伸过程中的破坏机理,对石墨烯/碳化硅复合材料的拉伸力学性能进行了分子动力学模拟. 研究结果表明: 石墨烯与碳化硅接触的界面结构会影响复
合材料的整体力学性能; 相较于纯碳化硅,石墨烯/碳化硅复合材料在拉伸时,损伤更容易在界面处成核并生长; 当石墨烯与碳化硅通过不同界面接触时,石墨烯与基底之间的不同相互作用使复合材料有不同的力学性能,相较于石墨烯直接与碳化硅的C 表面接触,当石墨烯与Si 原子接触时复合材料有更高的强度和失效应变.

本文引用格式

湛家铭 姚小虎 李旺辉 . 基于分子动力学的石墨烯/ 碳化硅复合材料力学性能研究[J]. 华南理工大学学报(自然科学版), 2017 , 45(5) : 135 -140 . DOI: 10.3969/j.issn.1000-565X.2017.05.019

Abstract

In order to discover the underlying mechanisms of tensile fracture of composites,the tensile mechanical properties of graphene /SiC composites are simulated on the basis of molecular dynamics ( MD) .The results show that ( 1) the interface between graphene and SiC may affect the mechanical properties of the whole composite systems; ( 2) in comparison with the damage of bulk SiC systems,the damage of the composites tends to nucleate and grow on the interface in the tension process; ( 3) graphene /SiC composites with different interface structures possess different mechanical behaviors due to the various interaction between graphene and SiC; and ( 4) in comparison with the contact of grapheme sheet with C surface,the direct contact of single graphene sheet with Si in the substrate results in higher strength and failure strain.
文章导航

/