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On the coupling of a commercial finite element package with lammps for multiscale modeling of materials


We present a semi-concurrent multiscale method to couple the commercial finite element package ABAQUS to the open source software LAMMPS. The coupling is implemented for static and dynamic applications. The semi-concurrent multiscale method here is based on the Cauchy-Born rule to compute stress/stiffness in continuum domain. It is realized through the ABAQUS user-interface UMAT and VUMAT. Implementation details are provided in this manuscript and tthe subroutines are made available at our homepage. One verification example is presented to show the validity of the coupling approach.


Multiscale Analysis, Molecular Dynamics, Finite Element Analysis, LAMMPS

Journal Papers