Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations

doi:10.3390/ma14195622

CORC > 力学研究所 > 中国科学院力学研究所 > 非线性力学国家重点实验室

	Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations
	Liu, Shenggui 3; Lyu, Mindong 3; Wang C(王超)1,2
刊名	MATERIALS
	2021-10-01
卷号	14 期号:19 页码:14
关键词	graphene foam materials microstructure bi-modal sheet thickness stress-strain curve coarse-grained molecular dynamics
DOI	10.3390/ma14195622
通讯作者	Wang, Chao(wangchao@lnm.imech.ac.cm)
英文摘要	Graphene foams (GrFs) have been widely used as structural and/or functional materials in many practical applications. They are always assembled by thin and thick graphene sheets with multiple thicknesses; however, the effect of this basic structural feature has been poorly understood by existing theoretical models. Here, we propose a coarse-grained bi-modal GrF model composed of a mixture of 1-layer flexible and 8-layer stiff sheets to study the mechanical properties and deformation mechanisms based on the mesoscopic model of graphene sheets (Model. Simul. Mater. Sci. Eng. 2011, 19, 54003). It is found that the modulus increases almost linearly with an increased proportion of 8-layer sheets, which is well explained by the mixture rule; the strength decreases first and reaches the minimum value at a critical proportion of stiff sheets ~30%, which is well explained by the analysis of structural connectivity and deformation energy of bi-modal GrFs. Furthermore, high-stress regions are mainly dispersed in thick sheets, while large-strain areas mainly locate in thin ones. Both of them have a highly uneven distribution in GrFs due to the intrinsic heterogeneity in both structures and the mechanical properties of sheets. Moreover, the elastic recovery ability of GrFs can be enhanced by adding more thick sheets. These results should be helpful for us to understand and further guide the design of advanced GrF-based materials.
分类号	二类/Q1
资助项目	NSFC[41472130] ; NSFC[11972348] ; NSFC[11790292] ; National Key Research and Development Program of China[2016YFC0600704] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDB22040503]
WOS关键词	SPONGY GRAPHENE ; FIBERS ; AEROGELS ; ULTRALIGHT ; FRAMEWORKS ; NETWORKS
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering ; Physics
语种	英语
WOS记录号	WOS:000710351800001
资助机构	NSFC ; National Key Research and Development Program of China ; Strategic Priority Research Program of the Chinese Academy of Sciences
其他责任者	Wang, Chao
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/87786]
专题	力学研究所_非线性力学国家重点实验室
作者单位	1.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China; 3.China Univ Min & Technol, Sch Mech & Civil Engn, Beijing 100083, Peoples R China;
推荐引用方式 GB/T 7714	Liu, Shenggui,Lyu, Mindong,Wang C. Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations[J]. MATERIALS,2021,14(19):14.
APA	Liu, Shenggui,Lyu, Mindong,&王超.(2021).Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations.MATERIALS,14(19),14.
MLA	Liu, Shenggui,et al."Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations".MATERIALS 14.19(2021):14.