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A continuum-atomistic multi-scale technique for nonlinear behavior of nano-materials

Khoei, A. R ; Sharif University of Technology | 2018

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  1. Type of Document: Article
  2. DOI: 10.1016/j.ijmecsci.2018.08.012
  3. Publisher: Elsevier Ltd , 2018
  4. Abstract:
  5. In this paper, a hierarchical RVE-based continuum-atomistic multi-scale procedure is developed to model the nonlinear behavior of nano-materials. The atomistic RVE is accomplished in consonance with the underlying atomistic structure, and the inter-scale consistency principals, i.e. kinematic and energetic consistency principals, are exploited. To ensure the kinematic compatibility between the fine- and coarse-scales, the implementation of periodic boundary conditions is elucidated for the fully atomistic method. The material properties of coarse-scale are modeled with the nonlinear finite element method, in which the stress tensor and tangent modulus are computed using the Hill-Mandel principal through the atomistic RVE. In order to clearly represent the mechanical behavior of the fine-scale, the stress-strain curves of the atomistic RVE undergoing distinct type of deformation modes are delineated. These results are then assessed to obtain the proper fine-scale parameters for the multi-scale analysis. Finally, several numerical examples are solved to illustrate the capability of the proposed computational algorithm. © 2018 Elsevier Ltd
  6. Keywords:
  7. Atomistic RVE ; Hierarchical multi-scale ; Kinematics ; Computational algorithm ; Inter-scale consistency ; Multi scale analysis ; Multi-scale ; Nonlinear FEM ; Nonlinear finite element method ; Periodic boundary conditions ; Stress-strain curves
  8. Source: International Journal of Mechanical Sciences ; Volume 148 , 2018 , Pages 191-208 ; 00207403 (ISSN)
  9. URL: https://www.sciencedirect.com/science/article/pii/S0020740318315480