NDLI: Multiscale simulation of nanostructures based on spatial secant model: a discrete hyperelastic approach

Content Provider	Springer Nature Link
Author	Qian, Dong Zheng, Qingjin Ruoff, Rodney S.
Copyright Year	2008
Abstract	The main objective of this paper is to present a coarse-grained material model for the simulation of three-dimensional nanostructures. The developed model is motivated by the recent progress in establishing continuum models for nanomaterials and nanostructures. As there are conceptual differences between the continuum field defined in the classical sense and the nanomaterials consisting of discrete, space-filling atoms, existing continuum measures cannot be directly applied for mapping the nanostructures due to the discreteness at small length scale. In view of the fundamental difficulties associated with the direct application of the continuum approach, we introduce a unique discrete deformation measure called spatial secant and have developed a new hyperelastic model based on this measure. We show that the spatial secant-based model is consistently linked to the underlying atomistic model and provides a geometric exact mapping in the discrete sense. In addition, we outline the corresponding computational framework using the finite element and/or meshfree method. The implementation is within the context of finite deformation. Finally we illustrate the application of the model in studying the mechanics of low-dimensional carbon nanostructures such as carbon nanotubes (CNT). By comparing with full-scale molecular mechanics simulations, we show that the proposed coarse-grained model is robust in that it accurately captures the non-linear mechanical responses of the CNT structures.
Starting Page	557
Ending Page	567
Page Count	11
File Format	PDF
ISSN	01787675
Journal	Computational Mechanics
Volume Number	42
Issue Number	4
e-ISSN	14320924
Language	English
Publisher	Springer-Verlag
Publisher Date	2008-05-27
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Nanostructures Carbon nanotubes Multiscale model Discrete hyperelasticity Spatial secant Molecular mechanics Mechanics, Fluids, Thermodynamics Computational Science and Engineering Theoretical and Applied Mechanics
Content Type	Text
Resource Type	Article
Subject	Applied Mathematics Ocean Engineering Computational Theory and Mathematics Mechanical Engineering Computational Mechanics Computational Mathematics

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