A semi-analytical method for developing the equivalent continuum model of a single layer graphene sheet

Rasoul Khandan, Vahid Yavari , Mojtaba Mahzoon , Ali Hemmasizadeh

Research output: Contribution to journalArticle

Abstract

A semi-analytical method is presented to develop the equivalent continuum model for a single-layered graphene sheet. This method integrates molecular dynamics method as an exact numerical solution with theory of shell as an analytical method. The force-depth results obtained from molecular dynamics (MD) simulation of nano-indentation of a single graphene sheet are compared with the formulation for large deflection of circular plates loaded at the centre. As a result, the effective Young’s modulus and mechanical thickness of the sheet wall are independently obtained. The validity of this new approach is verified by comparing finite element modeling of nano-indentation of a single graphene sheet with molecular dynamics results available in the literature. Presented results demonstrate that the proposed method could provide a valuable tool for studying the mechanical behavior of single-layered graphene sheets, as well as efficiency of continuum theory in nano-structured material.
Original languageEnglish
Pages (from-to)pp. 1223-1228
Number of pages6
JournalASME International Mechanical Engineering Congress and Exposition, Proceedings
DOIs
Publication statusPublished - 26 Aug 2009

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graphene
continuums
molecular dynamics
nanoindentation
circular plates
deflection
modulus of elasticity
formulations
simulation

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title = "A semi-analytical method for developing the equivalent continuum model of a single layer graphene sheet",
abstract = "A semi-analytical method is presented to develop the equivalent continuum model for a single-layered graphene sheet. This method integrates molecular dynamics method as an exact numerical solution with theory of shell as an analytical method. The force-depth results obtained from molecular dynamics (MD) simulation of nano-indentation of a single graphene sheet are compared with the formulation for large deflection of circular plates loaded at the centre. As a result, the effective Young’s modulus and mechanical thickness of the sheet wall are independently obtained. The validity of this new approach is verified by comparing finite element modeling of nano-indentation of a single graphene sheet with molecular dynamics results available in the literature. Presented results demonstrate that the proposed method could provide a valuable tool for studying the mechanical behavior of single-layered graphene sheets, as well as efficiency of continuum theory in nano-structured material.",
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A semi-analytical method for developing the equivalent continuum model of a single layer graphene sheet. / Khandan, Rasoul; Yavari , Vahid ; Mahzoon , Mojtaba ; Hemmasizadeh, Ali .

In: ASME International Mechanical Engineering Congress and Exposition, Proceedings, 26.08.2009, p. pp. 1223-1228.

Research output: Contribution to journalArticle

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T1 - A semi-analytical method for developing the equivalent continuum model of a single layer graphene sheet

AU - Khandan, Rasoul

AU - Yavari , Vahid

AU - Mahzoon , Mojtaba

AU - Hemmasizadeh, Ali

PY - 2009/8/26

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AB - A semi-analytical method is presented to develop the equivalent continuum model for a single-layered graphene sheet. This method integrates molecular dynamics method as an exact numerical solution with theory of shell as an analytical method. The force-depth results obtained from molecular dynamics (MD) simulation of nano-indentation of a single graphene sheet are compared with the formulation for large deflection of circular plates loaded at the centre. As a result, the effective Young’s modulus and mechanical thickness of the sheet wall are independently obtained. The validity of this new approach is verified by comparing finite element modeling of nano-indentation of a single graphene sheet with molecular dynamics results available in the literature. Presented results demonstrate that the proposed method could provide a valuable tool for studying the mechanical behavior of single-layered graphene sheets, as well as efficiency of continuum theory in nano-structured material.

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