J. Ma2, H. Lu2, B. Wang2, R. Hornung3, A. Wissink3, R. Komanduri2,*
CMES-Computer Modeling in Engineering & Sciences, Vol.14, No.2, pp. 101-118, 2006, DOI:10.3970/cmes.2006.014.101
Abstract A new method for multiscale simulation bridging two scales, namely, the continuum scale using the generalized interpolation material point (GIMP) method and the atomistic scale using the molecular dynamics (MD), is presented and verified in 2D. The atomistic strain from the molecular dynamics simulation is determined through interpolation of the displacement field into an Eulerian background grid using the same generalized interpolation functions as that in the GIMP method. The atomistic strain is consistent with that determined from the virial theorem for interior points but provides more accurate values at the boundary of the MD region and in the transition… More >
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