Abstract
We compare the performance of three interatomic interaction potentials for describing the evolution of plasticity and phase transformations in Si: the well established Stillinger-Weber potential, a recent modification used in the description of Al/Si composites, and a modification of the well known Tersoff potential. We show that the generation of dislocations and the evolution of plasticity are well described by the Stillinger-Weber potential and its modification, while the phase transformation to the high-pressure bct5 modification and the subsequent amorphization are better included in the modified Tersoff potential.
Highlights
Nanomachining and in particular nanoindentation studies are performed increasingly often using molecular dynamics (MD) simulations [1]
We explore the performance of the angular embedded-atom method (AEAM) potential to describe nanoindentation into elemental Si
The curves are characterized by a sequence of peaks and pop-in events which are due to both dislocation generation and phase transformations occurring under the indenter [7]
Summary
Nanomachining and in particular nanoindentation studies are performed increasingly often using molecular dynamics (MD) simulations [1] These need only the interatomic interaction potentials as input into the simulation; the results obtained are essentially as good as the potentials used. The reliability of such potentials has been investigated in many cases, in particular for fcc [2], bcc [3, 4], and hcp [5] metals, and in Si [6, 7]. For the Al/Si system, an interaction potential has been developed by Saidi et al [8] It is of the so-called angular embedded-atom method (AEAM) type and will for brevity be denoted as the AEAM potential. It appears tempting to use this AEAM potential for simulating machining of the composite material
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