Long-term dynamic stability of discrete dislocations in graphene at finite temperature

Ariza, Manuel R. Gómez; Ortiz, Michael; Serrano, Rafael Báez

doi:10.1007/978-94-007-0314-8_20

Cited by 3 publications

(3 citation statements)

References 41 publications

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“…With the distinguished properties in electronics, thermal conductivity, optical transparence and mechanics, graphene has powerful potential in nanosensors, nano-resonators, supercapacitors [ 2 , 3 , 4 ], batteries [ 5 , 6 , 7 ], etc. The covalent bonds between carbon atoms in graphene ensure the stability in mechanical and chemical properties [ 8 , 9 , 10 , 11 ]. However, random porosities are an inevitable and significant issue in research and applications of graphene.…”

Section: Introductionmentioning

confidence: 99%

The Effects of Random Porosities in Resonant Frequencies of Graphene Based on the Monte Carlo Stochastic Finite Element Model

Chu

Shi

et al. 2021

IJMS

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With the distinguished properties in electronics, thermal conductivity, optical transparence and mechanics, graphene has a powerful potential in nanosensors, nano-resonators, supercapacitors, batteries, etc. The resonant frequency of graphene is an important factor in its application and working environment. However, the random dispersed porosities in graphene evidently change the lattice structure and destroy the integrity and geometrical periodicity. This paper focuses on the effects of random porosities in resonant frequencies of graphene. Monte Carlo simulation is applied to propagate the porosities in the finite element model of pristine graphene. The statistical results and probability density distribution of porous graphene with atomic vacancy defects are computed based on the Monte Carlo finite element model. The results of porous graphene with atomic vacancy defects are compared and discussed with the results of graphene with bond vacancy defects. The enhancement effects of atomic vacancy defects are confirmed in porous graphene. The influences of atomic vacancy defects on displacement and rotation vector sums of porous graphene are more concentrated in local places.

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Section: Introductionmentioning

confidence: 99%

The Effects of Random Porosities in Resonant Frequencies of Graphene Based on the Monte Carlo Stochastic Finite Element Model

Chu

Shi

et al. 2021

IJMS

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“…dynamic crack instability [6][7], hyperelastic effect of brittle materials [8]. Of intriguing subject is about the anisotropy of crack propagation associated with the favorable cleavage plane.…”

Section: Introductionmentioning

confidence: 99%

Atomistic study of anisotropic effect on two-dimensional dynamic crack

Ren

Tang

2012

Front. Mater. Sci.

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We adopt molecular dynamics (MD) method to extensively study the dynamical process during the crack propagation along two crystallographic directions in the two-dimensional close-packed system. The dependence of crack initiation time on the loading rates is investigated in comparison with continuum analysis. By calculating the displacement and stress field, the results are in excellent agreement with the asymptotic continuum solution of low-speed propagating crack. Moreover, the crack-tip velocity is numerically attained and associated with the instability of crack surface morphology, which results from the strongly anisotropic behavior. Further analysis remarkably observes the crack-branching healing process in that the dislocation emission absorbs the concentrated strain energy of crack tip.

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“…It has the form of pentagon-heptagon pair 44 and is thermodynamically stable. [45][46] Dislocations are also main constituents for many GBs [30][31] and thus play a key role in determining the strength and fracture behaviors of polycrystalline graphene. [37][38][39][40][41][42] As a result the knowledge of dislocations is of fundamental importance to the understanding of deformation and failure mechanisms in graphene.…”

Section: Introductionmentioning

confidence: 99%

First-Principles Study of Dislocation Slips in Impurity-Doped Graphene

2015

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Employing density-functional theory (DFT) calculations, the generalizedstacking-fault energy (GSFE) curves along two crystallographic slips, glide and shuffle, for both pristine graphene and impurity of boron (B) or nitrogen (N) doped graphene were examined. The effects of B and N doping on the GSFE were clarified and correlated with local electron interactions and bonding configurations. The GSFE data were then used to analyze dislocation dipole and core structure and subsequently combined with the Peierls− Nabarro (P−N) model to examine the role of doping on several key characteristics of dislocations in graphene. We showed that the GSFE curve may be significantly altered by the presence of dopants, which subsequently leads to profound modulations of dislocation properties, such as increasing spontaneous pair-annihilation distance and reducing resistance to dislocation slip. Our results indicate that doping can play an important role in controlling dislocation density and microscopic plasticity in graphene, thereby providing critical insights for dopant-mediated defect engineering in graphene.

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Long-term dynamic stability of discrete dislocations in graphene at finite temperature

Cited by 3 publications

References 41 publications

The Effects of Random Porosities in Resonant Frequencies of Graphene Based on the Monte Carlo Stochastic Finite Element Model

The Effects of Random Porosities in Resonant Frequencies of Graphene Based on the Monte Carlo Stochastic Finite Element Model

Atomistic study of anisotropic effect on two-dimensional dynamic crack

First-Principles Study of Dislocation Slips in Impurity-Doped Graphene

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