MOLECULAR STATICS SIMULATION OF NANOINDENTATION USING ADAPTIVE QUASICONTINUUM METHOD

Karel Mikeš, Ondřej Rokoš, Ron H. J. Peerlings

Abstract


In this work, molecular statics is used to model a nanoindentation test on a two-dimensional hexagonal lattice. To this end, the QuasiContinuum (QC) method with adaptive propagation of the fully resolved domain is used to reduce the computational cost required by the full atomistic model. Three different adaptive mesh refinement criteria are introduced and tested, based on: (i) the Zienkiewicz–Zhu criterion (used for the deformation gradient), (ii) local atoms’ site energy, and (iii) local lattice disregistry. Accuracy and efficiency of individual refinement schemes are compared against the full atomistic model and obtained results are discussed.

Keywords


molecular statics, quasicontinuum method, adaptivity, nanoindentation

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This work is licensed under a Creative Commons Attribution 4.0 International License.

ISSN 2336-5382 (Online)
Published by the Czech Technical University in Prague