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

doi:10.3390/ma14195622

IMECH-IR > 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 1; Lyu, Mindong 1; Wang C(王超)2,3
通讯作者	Wang, Chao(wangchao@lnm.imech.ac.cm)
发表期刊	MATERIALS
	2021-10-01
卷号	14 期号:19 页码:14
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.
关键词	graphene foam materials microstructure bi-modal sheet thickness stress-strain curve coarse-grained molecular dynamics
DOI	10.3390/ma14195622
收录类别	SCI ; EI
语种	英语
WOS记录号	WOS:000710351800001
关键词[WOS]	SPONGY GRAPHENE ; FIBERS ; AEROGELS ; ULTRALIGHT ; FRAMEWORKS ; NETWORKS
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering ; Physics
WOS类目	Chemistry, Physical ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering ; Physics, Applied ; Physics, Condensed Matter
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]
项目资助者	NSFC ; National Key Research and Development Program of China ; Strategic Priority Research Program of the Chinese Academy of Sciences
论文分区	二类/Q1
力学所作者排名	1
RpAuthor	Wang, Chao
引用统计	被引频次：2[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://dspace.imech.ac.cn/handle/311007/87787
专题	非线性力学国家重点实验室
作者单位	1.China Univ Min & Technol, Sch Mech & Civil Engn, Beijing 100083, Peoples R China; 2.Chinese Acad Sci, Inst Mech, LNM, Beijing 100190, Peoples R China; 3.Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100049, 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.

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