Comparative Study of Interatomic Interaction Potentials for Describing Indentation into Si Using Molecular Dynamics Simulation

Abstract:

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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.

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Periodical:

Edited by:

Jan C. Aurich, Bahram Ravani, Achim Ebert, Bernd Hamann, Ralf Müller, Tarek Zohdi and Benjamin Kirsch

Pages:

3-8

DOI:

10.4028/www.scientific.net/AMM.869.3

Citation:

Z. B. Zhang and H. M. Urbassek, "Comparative Study of Interatomic Interaction Potentials for Describing Indentation into Si Using Molecular Dynamics Simulation", Applied Mechanics and Materials, Vol. 869, pp. 3-8, 2017

Online since:

August 2017

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