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We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…

Materials Science · Physics 2020-06-24 Rajat Arora , Xiaohan Zhang , Amit Acharya

We study the effect of atomic relaxation on the structure of moir\'e patterns in twisted graphene on graphite and double layer graphene by large scale atomistic simulations. The reconstructed structure can be described as a superlattice of…

Mesoscale and Nanoscale Physics · Physics 2015-10-20 M. M. van Wijk , A. Schuring , M. I. Katsnelson , A. Fasolino

The specific band structure of graphene, with its unique valley structure and Dirac neutrality point separating hole states from electron states has led to the observation of new electronic transport phenomena such as anomalously quantized…

Mesoscale and Nanoscale Physics · Physics 2011-05-05 Nikolaos Tombros , Csaba Jozsa , Mihaita Popinciuc , Harry T. Jonkman , Bart J. van Wees

Graphene monolayers supported on oxide substrates have been demonstrated with superior charge mobility and thermal transport for potential device applications. Morphological corrugation can strongly influence the transport properties of the…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Zachary H. Aitken , Rui Huang

We use a discrete dislocation dynamics (DDD) approach to study the motion of a dislocation under strong stochastic forces that may cause bending and roughening of the dislocation line on scales that are comparable to the dislocation core…

Materials Science · Physics 2018-07-26 Jianhui Zhai , Michael Zaiser

Confocal Raman spectroscopy is a versatile, non-invasive investigation tool and a major workhorse for graphene characterization. Here we show that the experimentally observed Raman 2D line width is a measure of nanometer-scale strain…

This study undertakes the mathematical modelling and numerical analysis of dislocations within the framework of differential geometry. The fundamental configurations, i.e. reference, intermediate and current configurations, are expressed as…

Numerical Analysis · Mathematics 2022-05-09 Shunsuke Kobayashi , Ryuichi Tarumi

The control of strain in two-dimensional materials opens exciting perspectives for the engineering of their electronic properties. While this expectation has been validated by artificial-lattice studies, it remains elusive in the case of…

Topological defects in graphene, dislocations and grain boundaries, are still not well understood despites the considerable number of experimental observations. We introduce a general approach for constructing dislocations in graphene…

Mesoscale and Nanoscale Physics · Physics 2010-05-21 Oleg V. Yazyev , Steven G. Louie

The discovery of correlated phases in twisted moir\'e superlattices accelerated the search for low-dimensional materials with exotic properties. A promising approach uses engineered substrates to strain the material. However, designing…

Mesoscale and Nanoscale Physics · Physics 2023-08-25 Md Tareq Mahmud , Dawei Zhai , Nancy Sandler

The low-energy electronic properties of strained graphene are usually obtained by transforming the bond vectors according to the Cauchy-Born rule. In this work, we derive a new effective Dirac Hamiltonian by assuming a more general…

Mesoscale and Nanoscale Physics · Physics 2018-07-09 Maurice Oliva-Leyva , Chumin Wang

Deformations in graphene systems are central elements in the novel field of {\it straintronics}. Various strain geometries have been proposed to produce specific properties but their experimental realization has been limited. Because…

Mesoscale and Nanoscale Physics · Physics 2016-09-20 R. Carrillo-Bastos , C. León , D. Faria , A. Latgé , Eva Y. Andrei , N. Sandler

At the heart of current information nanotechnology lies the search for ideal platforms hosting the smallest possible magnets, i.e. single atoms with magnetic moments pointing out-of-plane, as requested in a binary-type of memory. For this…

To examine the microstructural evolution that occurs during transient creep, we deformed olivine aggregates to different strains that spanned the initial transient deformation. Two sets of samples with different initial grain sizes of 5…

Materials Science · Physics 2024-07-09 Harison S. Wiesman , Thomas Breithaupt , David Wallis , Lars N. Hansen

By means of atomistic tight-binding calculations, we investigate the effects of uniaxial strain on the electronic bandstructure of twisted graphene bilayer. We find that the bandstructure is dramatically deformed and the degeneracy of the…

Mesoscale and Nanoscale Physics · Physics 2015-07-13 Viet Hung Nguyen , Philippe Dollfus

There has been a massive growth in the study of transition metal dichalcogenides (TMDs) over the past decade, based upon their interesting and unusual electronic, optical and mechanical properties, such as tuneable and strain-dependent…

Applied Physics · Physics 2020-11-02 Fang Wang , Suhao Li , Mark A. Bissett , Ian A. Kinloch , Zheling Li , Robert J. Young

The wavefront dislocation is an important and ubiquitous phenomenon in wave fields. It is closely related to the phase singularity in a wave function. Some recent studies have verified that the wavefront dislocations in the local density of…

Mesoscale and Nanoscale Physics · Physics 2024-10-30 Yu-Chen Zhuang , Qing-Feng Sun

We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting with suitable DFT calculations regarding the deformation…

Interactions between stacked two-dimensional (2D) atomic crystals can radically change their properties, leading to essentially new materials in terms of the electronic structure. Here we show that monolayers placed on an atomically flat…

In crystalline materials, the creation and modulation of dislocations are often associated with plastic deformation and energy dissipation. Here we report a study on the energy dissipation of a trilayer graphene ribbon resonator. The…

Mesoscale and Nanoscale Physics · Physics 2021-08-26 Lei Yang , Yifan Huang , Kehai Liu , Zhanjun Wu , Qin Zhou
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