Mechanical behavior of interlayer-bonded nanostructures obtained from bilayer graphene

被引：74

作者：

Muniz, Andre R. ^{[1
]}

Machado, Alyne S. ^{[1
]}

Maroudas, Dimitrios ^{[2
]}

机构：

[1] Univ Fed Rio Grande do Sul, Dept Chem Engn, BR-90040040 Porto Alegre, RS, Brazil

[2] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA

来源：

CARBON | 2015年 / 81卷

基金：

美国国家科学基金会;

关键词：

ELASTIC PROPERTIES; CARBON NANOTUBES; STRENGTH; FILMS; DIAMONDIZATION; HYDROGENATION; SUPERLATTICES; SHEETS; SIZE;

D O I：

10.1016/j.carbon.2014.10.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report a comprehensive computational study of the mechanical behavior of two-dimensional carbon-based nanostructures generated from C-C interlayer bonding through chemical functionalization in bilayer graphene, based on molecular-dynamics simulations of uniaxial tensile deformation according to a reliable interatomic bond-order potential. These nanostructures range from superlattices of two-dimensional diamond-like nanodomains embedded in twisted bilayer graphene to fully interlayer-bonded graphene bilayers that constitute two-dimensional diamond-like films. We have analyzed in detail the fracture mechanisms of the nanostructures under tension as a function of the extent of interlayer bonding through chemical functionalization. In most cases, fracture is initiated at the interface between pristine graphene and interlayer-bonded two-dimensional diamond-like domains in the composite structure and subsequently propagates across the material leading to failure through brittle cleavage. However, beyond a certain density of interlayer bonds with specific spatial distribution, there is a transition to ductile failure with a structural response that is characterized by void formation and coalescence. (C) 2014 Elsevier Ltd. All rights reserved.

引用

页码：663 / 677

页数：15

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