Multimillion Atom Simulations and Visualization of Hypervelocity Impact Damage and Oxidation
Abstract
Large-scale molecular dynamics simulation involving several hundred million atoms has been performed on parallel computers to study hypervelocity impact damage of high - strength aluminum nitride ceramic, which is of great importance for the design of penetration-resistant and light-weight armors at the Army. Results reveal an atomistic mechanism of damage initiation i.e. the phase transformation wave front acts as a source of dislocations and micro-cracks upon the arrival of an elastic rarefaction wave. Simulation has also been performed to study atomistic mechanisms of oxidation of an Al nanoparticle which has applications in high- energy density materials. A multi-resolution and probabilistic visualization algorithm has been developed to interactively analyze massive datasets from these simulations.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 01, 2004
- Accession Number
- ADA432332
Entities
People
- Aiichiro Nakano
- Priya Vashishta
- Rajiv K. Kalia
Organizations
- University of California, Los Angeles