Multi-scale computational investigations of SiC/B4C interfaces

Christin P. Morrow, Vladislav Domnich, Richard A. Haber

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Computational tools are used to cross spatial and temporal scales during investigations of ballistic events on armor materials. The ensuing weakening of these materials after such an event is of particular interest, and recent investigations of boron carbide (B4C) inclusions in silicon carbide (SiC) showed that weaknesses in these materials did not originate at the grain boundaries. In an effort to characterize the development of structural changes, a multi-scale computational approach is employed. Several samples of varying B4C concentrations in SiC matrices are studied with density functional theory molecular dynamics (DFT-MD) simulations to determine the stability at the SiC/B4C interface under several high temperature and pressure regimes. DFT calculations employing molecular clusters to represent single sites along the interface are also presented, and this smaller-scale approach aims to isolate the structural changes that occur at each site and their contribution to the stabilities of these SiC/B4C samples. These two spatial and temporal scales provide insight into how interface dynamics play a role in the development of structural weaknesses. A comparison with experimental observations is also included.

Original languageEnglish (US)
Title of host publicationAdvances in Ceramic Armor VII - A Collection of Papers Presented at the 35th International Conference on Advanced Ceramics and Composites, ICACC
PublisherAmerican Ceramic Society
Pages249-260
Number of pages12
Edition5
ISBN (Print)9781118059906
DOIs
StatePublished - 2011
EventAdvances in Ceramic Armor VII - 35th International Conference on Advanced Ceramics and Composites, ICACC - Daytona Beach, FL, United States
Duration: Jan 23 2011Jan 28 2011

Publication series

NameCeramic Engineering and Science Proceedings
Number5
Volume32
ISSN (Print)0196-6219

Other

OtherAdvances in Ceramic Armor VII - 35th International Conference on Advanced Ceramics and Composites, ICACC
Country/TerritoryUnited States
CityDaytona Beach, FL
Period1/23/111/28/11

All Science Journal Classification (ASJC) codes

  • Ceramics and Composites
  • Materials Chemistry

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