Multiscale modeling of nanoindentation-induced instability in FeNi3 crystal

K Xiong and XH Liu and JF Gu, COMPUTATIONAL MATERIALS SCIENCE, 102, 140-150 (2015).

DOI: 10.1016/j.commatsci.2015.02.027

In this paper, an interatomic potential finite-element model (IPFEM) is developed to investigate the incipient instability of L1(2)-ordered FeNi3 crystal in cylindrical and spherical nanoindentations. In cylindrical indentation, the load-displacement curves, indentation- induced stress fields and active slip systems obtained from IPFEM simulations are consistent with those obtained by molecular dynamics (MD). In spherical indentation, the crystal instability sites and indentation-induced stress fields are associated with crystallographic orientations. Several critical parameters required for crystal instability are interpolated on an inverse stereographic triangle as a function of crystallographic orientations, including the critical load, critical mean contact pressure, indentation modulus and critical resolved shear stress. (C) 2015 Elsevier B.V. All rights reserved.

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