1. Impact scenarios in boron carbide: A computational study
- Author
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Isaac J. Sugden, David F. Plant, and Robert G. Bell
- Subjects
Materials science ,Icosahedral symmetry ,Ab initio ,chemistry.chemical_element ,02 engineering and technology ,Boron carbide ,010402 general chemistry ,021001 nanoscience & nanotechnology ,01 natural sciences ,0104 chemical sciences ,Computer Science Applications ,chemistry.chemical_compound ,Molecular dynamics ,Computational Theory and Mathematics ,chemistry ,Computational chemistry ,Chemical physics ,Lattice (order) ,Radiative transfer ,Radiation damage ,Physical and Theoretical Chemistry ,0210 nano-technology ,Boron - 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.
- Published
- 2016