• 文献标题:   Nonlinear dynamic identification of graphene's elastic modulus via reduced order modeling of atomistic simulations
  • 文献类型:   Article
  • 作  者:   SAJADI B, WAHLS S, VAN HEMERT S, BELARDINELLI P, STEENEKEN PG, ALIJANI F
  • 作者关键词:   graphene, idenification, nonlinear dynamic, molecular dynamic, proper orthogonal decomposition, reduced order modeling, elasticity
  • 出版物名称:   JOURNAL OF THE MECHANICS PHYSICS OF SOLIDS
  • ISSN:   0022-5096 EI 1873-4782
  • 通讯作者地址:   Delft Univ Technol
  • 被引频次:   4
  • DOI:   10.1016/j.jmps.2018.09.013
  • 出版年:   2019

▎ 摘  要

Despite numerous theoretical investigations on the mechanical properties of graphene, an accurate identification of its material behavior is still unattained. One hypothesis for this uncertainty is that modeling graphene as a static membrane cannot describe the strong coupling between mechanics and thermodynamics of this structure. Therefore, characterization methods built upon static models could not capture these effects. In this paper, we propose a new method for building a reduced order model for the dynamics of thermalized graphene membranes. We apply the proper orthogonal decomposition algorithm on time responses obtained from molecular dynamics simulations. As a result, a set of orthogonal modes is obtained which are then employed to build a reduced order model. The proposed model can describe the motion of the suspended graphene membrane over the whole spatial domain accurately. Moreover, due to its computational efficiency, it is more versatile for exploring the nonlinear dynamics of the system. This model is then employed for studying the nonlinear dynamics of graphene membranes at large amplitudes to extract Young's modulus. The obtained Young's modulus incorporates the effects of nano scaled thermally induced dynamic ripples and hence, is temperature and size dependent. Our proposed atomistic modal order reduction method provides a framework for studying the dynamics and extracting the mechanical properties of other nano-structures at the molecular level. (C) 2018 Elsevier Ltd. All rights reserved.