Impact scenarios in boron carbide: A computational study

Author:

Sugden Isaac J.1,Plant David F.2,Bell Robert G.1

Affiliation:

1. University College London, Chemistry Department, 20 Gordon Street, London WC1H 0AJ, UK

2. AWE, Aldermaston, Reading, RG7 4PR, UK

Abstract

The effect of radiative impacts on the structure of boron carbide has been studied by both classical and ab initio simulations. As a part of this study, a new forcefield was developed for use in studying boron carbide materials. Impact scenarios in boron carbide were simulated in order to investigate the exceptional resistance of this material, and other icosahedral boron solids, to high-energy impact events. It was observed that interstitial defects created by radiative impacts are likely to be quenched locally, utilizing the high substitutional disorder of chains and cages in the boron carbide structure, rather than via impacted atoms recombining with their vacated lattice site.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Physical and Theoretical Chemistry,Computer Science Applications

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