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Abstract:
The Coupling Molecular Dynamics and FEA yield models that link fundamental material processes at an atomic level with the continuum field responses at higher length scales. There has been a need to make a connection between the two inherently different simulation frameworks which are effectively independent. The numerous ways to make this connection require that the finite element mesh to be refined to atomic resolution, simulations to be carried out at 0 K and restrict modelling to two-dimensional material domains. This paper provides an insight and reviews the existing methods to achieve coupling and the drawbacks of the same which paves way for an efficient method to address the issue by taking into account the advantages of the same.