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Multiscale Simulation of Nanoindentation Using the Generalized Interpolation Material Point (GIMP) Method, Dislocation Dynamics (DD) and Molecular Dynamics (MD)

Jin Ma, Yang Liu, Hongbing Lu, Ranga Komanduri1
Correspondence author, Email: ranga@ceat.okstate.edu. School of Mechanical and Aerospace Engineering, Oklahoma State University, Stillwater, OK 74078.

Computer Modeling in Engineering & Sciences 2006, 16(1), 41-56. https://doi.org/10.3970/cmes.2006.016.041

Abstract

A multiscale simulation technique coupling three scales, namely, the molecular dynamics (MD) at the atomistic scale, the discrete dislocations at the meso scale and the generalized interpolation material point (GIMP) method at the continuum scale is presented. Discrete dislocations are first coupled with GIMP using the principle of superposition (van der Giessen and Needleman (1995)). A detection band seeded in the MD region is used to pass the dislocations to and from the MD simulations (Shilkrot, Miller and Curtin (2004)). A common domain decomposition scheme for each of the three scales was implemented for parallel processing. Simulations of indentation were performed on the (111) plane of Cu at 0° K using a cylindrical indenter. The effects of indenter radius and indentation speed on the indentation load-depth curve and nucleation of dislocations were investigated. For simulations at finite temperatures, spatially averaged velocities were used to reduce atom vibrations in the transition region to achieve seamless coupling. Simulations were also performed at different temperatures using a wedge indenter.

Keywords

Multiscale Simulation, GIMP, MD, Discrete Dislocations, Nanoindentation, Coupling, Mesoplasticity

Cite This Article

Ma, J., Liu, Y., Lu, H., Komanduri, R. (2006). Multiscale Simulation of Nanoindentation Using the Generalized Interpolation Material Point (GIMP) Method, Dislocation Dynamics (DD) and Molecular Dynamics (MD). CMES-Computer Modeling in Engineering & Sciences, 16(1), 41–56.



This work is licensed under a Creative Commons Attribution 4.0 International License , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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