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The exceptional properties of the two-dimensional material graphene make it attractive for multiple functional applications, whose large-area samples are typically polycrystalline. Here, we study the mechanical properties of graphene in…

Materials Science · Physics 2022-04-19 Zihua Liu , Debabrata Panja , Gerard T. Barkema

Graphene, a single atomic layer of graphitic carbon, has attracted intense attention due to its extraordinary properties that make it a suitable material for a wide range of technological applications. Large-area graphene films, which are…

Mesoscale and Nanoscale Physics · Physics 2015-02-18 Oleg V. Yazyev , Yong P. Chen

Graphene is a two-dimensional carbon material which exhibits exceptional properties, making it highly suitable for a wide range of applications. Practical graphene fabrication often yields a polycrystalline structure with many inherent…

Disordered Systems and Neural Networks · Physics 2023-11-13 Zihua Liu , Debabrata Panja , Gerard T. Barkema

First principles calculations, employed to address the properties of polycrystalline graphene, indicate that the electronic structure of tilt grain boundaries in this system displays a rather complex evolution towards graphene bulk, as the…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 Joice da Silva Araujo , R. W. Nunes

Crystal plasticity occurs by deformation bursts due to the avalanche-like motion of dislocations. Here we perform extensive numerical simulations of a three-dimensional dislocation dynamics model under quasistatic stress-controlled loading.…

Statistical Mechanics · Physics 2016-08-24 Arttu Lehtinen , Giulio Costantini , Mikko J. Alava , Stefano Zapperi , Lasse Laurson

Graphene is well known for its extraordinary mechanical properties combining brittleness and ductility. While most mechanical studies of graphene focused on the strength and brittle fracture behavior, its ductility, plastic deformation, and…

Materials Science · Physics 2021-12-23 Wenquan Zhou , Jincheng Wang , Bo Lin , Zhijun Wang , Junjie Li , Zhi-Feng Huang

Equations for dislocation evolution bridge the gap between dislocation properties and continuum descriptions of plastic behavior of crystalline materials. Computer simulations can help us verify these evolution equations and find their…

Materials Science · Physics 2020-11-11 Kamyar M. Davoudi , Joost J. Vlassak

A strained epitaxial film deposited on a deformable substrate undergoes a morphological instability relaxing the elastic energy by surface diffusion. The nonlinear and nonlocal dynamical equations of such films with wetting interactions are…

Statistical Mechanics · Physics 2011-11-16 Jean-Noel Aqua , Thomas Frisch , Alberto Verga

In crystal growth, surfactants are additive molecules used in dilute amount or as dense, permeable layers to control surface morphologies. Here, we investigate the properties of a strikingly different surfactant: a two-dimensional and…

We have studied theoretically, using density functional theory, several materials properties when going from one C layer in graphene to two and three g raphene layers and on to graphite. The properties we have focused on are the elastic…

Materials Science · Physics 2015-05-13 Mattias Klintenberg , Sébastien Lebègue , Carlos Ortiz , Biplab Sanyal , Olle Eriksson

Most materials in available macroscopic quantities are polycrystalline. Graphene, a recently discovered two-dimensional form of carbon with strong potential for replacing silicon in future electronics, is no exception. There is growing…

Mesoscale and Nanoscale Physics · Physics 2010-09-28 Oleg V. Yazyev , Steven G. Louie

We examine the fracture mechanics of tearing graphene. We present a molecular dynamics simulation of the propagation of cracks in clamped, free-standing graphene as a function of the out-of-plane force. The geometry is motivated by…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Maria J. B. Moura , Michael Marder

A two-dimensional (2D) dislocation continuum theory is being introduced. The present theory adds elastic rotation, dislocation density, and background stress to the classical energy density of elasticity. This theory contains four material…

Mesoscale and Nanoscale Physics · Physics 2015-10-15 Markus Lazar

Graphene is a material with potential applications in electric, thermal, and mechanical fields, and has seen significant advancements in growth methods that facilitate large-scale production. However, defects during growth and transfer to…

Materials Science · Physics 2025-12-30 Suyeong Jin , Jung-Wuk Hong , Chiara Daraio , Alexandre F. Fonseca

Materials are often heterogeneous at various length scales, with variations in grain structure, defects, and composition which has a strong influence on the emergent macroscopic plastic behavior. In particular, heterogeneities lead to…

Materials Science · Physics 2024-06-17 Dénes Berta , David Kurunczi-Papp , Lasse Laurson , Péter Dusán Ispánovity

Crystal plasticity is mediated through dislocations, which form knotted configurations in a complex energy landscape. Once they disentangle and move, they may also be impeded by permanent obstacles with finite energy barriers or frustrating…

Materials Science · Physics 2018-01-17 Stefanos Papanikolaou , Yinan Cui , Nasr Ghoniem

We study the stability of various kinds of graphene samples under soft X-ray irradiation. Our results show that in single layer exfoliated graphene (a closer analogue to two dimensional material), the in-plane carbon-carbon bonds are…

Materials Science · Physics 2015-05-14 S. Y. Zhou , C. O. Girit , A. Scholl , C. J. Jozwiak , D. A. Siegel , P. Yu , J. T. Robinson , F. Wang , A. Zettl , A. Lanzara

Wrinkling is a ubiquitous phenomenon in two-dimensional membranes. In particular, in the large-scale growth of graphene on metallic substrates, high densities of wrinkles are commonly observed. Despite their prevalence and potential impact…

Mesoscale and Nanoscale Physics · Physics 2012-07-13 Wenjuan Zhu , Tony Low , Vasili Perebeinos , Ageeth A. Bol , Yu Zhu , Hugen Yan , Jerry Tersoff , Phaedon Avouris

Ever since the discovery of graphene and subsequent explosion of interest in single atom thick materials, studying their mechanical properties has been an active area of research. New length scales often necessitate a rethinking of physical…

The study of graphene, since its discovery around 2004, is possibly the largest and fastest growing field of research in material science, because of its exotic mechanical, thermal, electronic, optical and chemical properties. The studies…

Materials Science · Physics 2013-06-05 Gautam Mukhopadhyay , Harihar Behera
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