Journal ArticleDOI
Effect of Vacancy Defects on the Young's Modulus and Fracture Strength of Graphene: A Molecular Dynamics Study
TLDR
In this paper, the Young's modulus of graphene with various rectangular and circular vacancy defects is investigated by molecular dynamics simulation, and the fracture behavior of graphene, including the fracture strength, crack initiation and propagation are then studied by the molecular dynamics simulations, the effective spring model, and quantized fracture mechanics.Abstract:
The Young's modulus of graphene with various rectangular and circular vacancy defects is investigated by molecular dynamics simulation. By comparing with the results calculated from an effective spring model, it is demonstrated that the Young's modulus of graphene is largely correlated to the size of vacancy defects perpendicular to the stretching direction. And a linear reduction of Young's modulus with the increasing concentration of mono-atomic-vacancy defects (i.e., the slope of −0.03) is also observed. The fracture behavior of graphene, including the fracture strength, crack initiation and propagation are then studied by the molecular dynamics simulation, the effective spring model, and the quantized fracture mechanics. The blunting effect of vacancy edges is demonstrated, and the characterized crack tip radius of 4.44 A is observed.read more
Citations
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Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
Increasing the elastic modulus of graphene by controlled defect creation
Guillermo Lopez-Polin,Cristina Gómez-Navarro,Vincenzo Parente,Francisco Guinea,Mikhail I. Katsnelson,Francesc Pérez-Murano,Julio Gómez-Herrero +6 more
TL;DR: In this paper, the elastic modulus of two-dimensional graphene sheets can also be increased by controlled defect creation, which can be used to increase the stiffness of three-dimensional materials.
Journal ArticleDOI
Atomistic Studies of Mechanical Properties of Graphene
TL;DR: In this article, a review of the properties of graphene lattice lattice is presented, including the in-plane tensile response and the free-standing indentation response, based on multiscale levels: including quantum mechanical and classical molecular dynamics simulations and parallel continuum models.
Journal ArticleDOI
Effect of Point and Line Defects on Mechanical and Thermal Properties of Graphene: A Review
TL;DR: In this article, a comprehensive review of defective graphene sheets with respect to its mechanical and thermal properties is presented and examined, and a detailed analysis of the properties of the defective graphene is presented.
Journal ArticleDOI
Pseudocapacitance behavior on Fe3O4-pillared SiOx microsphere wrapped by graphene as high performance anodes for lithium-ion batteries
Chan Liao,Songping Wu +1 more
TL;DR: In this article, a facile, scalable route is adopted to synthesize egg-like few-layered graphene-wrapped and Fe3O4-pillared SiOx anodes for lithium-ion batteries.
References
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Journal ArticleDOI
Electric Field Effect in Atomically Thin Carbon Films
Kostya S. Novoselov,Andre K. Geim,Sergey V. Morozov,Da Jiang,Y. Zhang,S. V. Dubonos,Irina V. Grigorieva,A. A. Firsov +7 more
TL;DR: Monocrystalline graphitic films are found to be a two-dimensional semimetal with a tiny overlap between valence and conductance bands and they exhibit a strong ambipolar electric field effect.
Journal ArticleDOI
The rise of graphene
TL;DR: Owing to its unusual electronic spectrum, graphene has led to the emergence of a new paradigm of 'relativistic' condensed-matter physics, where quantum relativistic phenomena can now be mimicked and tested in table-top experiments.
Journal ArticleDOI
Fast parallel algorithms for short-range molecular dynamics
TL;DR: In this article, three parallel algorithms for classical molecular dynamics are presented, which can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors.
Fast parallel algorithms for short-range molecular dynamics
TL;DR: Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems.
Journal ArticleDOI
The electronic properties of graphene
TL;DR: In this paper, the basic theoretical aspects of graphene, a one-atom-thick allotrope of carbon, with unusual two-dimensional Dirac-like electronic excitations, are discussed.
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