Generalized Matching Boundary Conditions Based on Fourier Transform Technique

Jiang, Wen-Wei; Tang, Shaoqiang; Wang, Xianming; Qian, Dong

doi:10.1061/(asce)nm.2153-5477.0000088

Cited by 1 publication

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“…In addition to the application on graphene, we noted that the discrete hyperelastic model was fairly general and can be extended to other nanocrystalline structures following a similar procedure. Furthermore, the current formulation was presented in the context of zero temperature, and we envision that the important finite temperature effects can also be incorporated, similar to the treatments described in . These developments are essential for incorporating the coarse‐grained model into a multiscale, coupled atomistic/continuum framework for a class of problems that involve fine scale features such as wrinkling, fracture, and dislocation.…”

Section: Discussionmentioning

confidence: 99%

Coarse‐grained modeling and simulation of graphene sheets based on a discrete hyperelastic approach

Qian

Zhou

Zheng

2015

Numerical Meth Engineering

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SUMMARYA discrete hyperelastic model was developed in this paper for a single atomic layer of graphene structure that was originally planar. This model can be viewed as an extension to the well-known continuum hyperelastic model. Based on the discrete nature of the atomic structure, the notion of discrete mapping and the concept of spatial secant were introduced. The spatial secant served as a deformation measure that provided a geometric exact mapping in the discrete sense between the atomistic and continuum representations. By incorporating a physics-based interatomic potential, the corresponding discrete hyperelastic model was then established. After an introduction of the model, the computational implementation using the Galerkin finite element and/or meshfree method was outlined. The computational framework was then applied to study of the mechanics of graphene sheets. Extensive comparisons with full-scale molecular mechanics simulations and experimental measurement were made to illustrate the robustness of this approach.

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Section: Discussionmentioning

confidence: 99%