#Simulation#Nanocrystalline Metal#Multiscale Analysis#Mechanical Property#Microstructure#Ceramic#Polymer#Metal
Multiscale Finite Element Simulation Based on Molecular Dynamics
We are attempting an analysis that replaces the micro-scale unit cell in homogeneous finite element analysis with a simulation box from molecular dynamics simulations. This aims to reflect material properties in structural analysis based on potentials rather than constitutive laws.
References
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Kobayashi, M., Terashima, Y., Murashima, T., Yvonnet, J., Muramatsu, M., “Accelerating hierarchical FEM-MD simulations using clustering”, Mechanical Engineering Journal, 25-00343 , (2026).
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Yamazaki, Y., Murashima, T., Kouznetsova, V., Muramatsu, M., “A multiscale FEM-MD coupling method for investigation into atomistic-scale deformation mechanisms of nanocrystalline metals under continuum-scale deformation”, Physica Scripta, Vol. 99, No.2, pp. 025408 1-20, (2023).
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Terashima, Y.L., Brumby, P.E., Murashima, T., Kouznetsova, V., Muramatsu, M., “Fine-scale structural stability of carbon dioxide hydrate pellets under coarse-scale deformation using multi-scale coupled FEM-MD simulations”, Materials Today Communications, Vol. 38, pp. 108322 1-12, (2024).