Print Email Facebook Twitter Nonlinear dynamic identification of graphene's elastic modulus via reduced order modeling of atomistic simulations Title Nonlinear dynamic identification of graphene's elastic modulus via reduced order modeling of atomistic simulations Author Sajadi, B. (TU Delft Dynamics of Micro and Nano Systems) Wahls, S. (TU Delft Team Sander Wahls) Hemert, Simon van (Student TU Delft) Belardinelli, P. (TU Delft Dynamics of Micro and Nano Systems) Steeneken, P.G. (TU Delft Dynamics of Micro and Nano Systems; TU Delft QN/Steeneken Lab; Kavli institute of nanoscience Delft) Alijani, F. (TU Delft Dynamics of Micro and Nano Systems) Date 2019 Abstract 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. Subject ElasticityGrapheneIdenificationMolecular dynamicsNonlinear dynamicsProper orthogonal decompositionReduced order modeling To reference this document use: http://resolver.tudelft.nl/uuid:9daf61ef-dbff-4bb1-977b-0bc553da113d DOI https://doi.org/10.1016/j.jmps.2018.09.013 Embargo date 2020-09-22 ISSN 0022-5096 Source Journal of the Mechanics and Physics of Solids, 122, 161-176 Bibliographical note Accepted Author Manuscript Part of collection Institutional Repository Document type journal article Rights © 2019 B. Sajadi, S. Wahls, Simon van Hemert, P. Belardinelli, P.G. Steeneken, F. Alijani Files PDF JMPS_article.pdf 4.6 MB Close viewer /islandora/object/uuid:9daf61ef-dbff-4bb1-977b-0bc553da113d/datastream/OBJ/view