Required LAMMPS and MATLAB files for several molecular dynamics simulations.
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Updated
Nov 12, 2021 - MATLAB
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample
Contains the model used for impact simulations in the article Dewapriya and Miller, Comput. Mater. Sci., Vol. 195, 110504 (2021).
RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based on MATLAB language, including formatting the reactive force field parameters, statistic anasysis of structures, trajectories and mechanisms and output of the visualization files.
Contains the MD model used in the article Dewapriya and Miller, J. Appl. Mech. 88(10): 101005 (2021).
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