Open Access. Powered by Scholars. Published by Universities.®

Nuclear Engineering Commons

Open Access. Powered by Scholars. Published by Universities.®

Nuclear Engineering ETDs

2018

Molecular Dynamics

Articles 1 - 1 of 1

Full-Text Articles in Nuclear Engineering

Radiation Effects In Metal Oxides And Carbides, Benjamin Jackson Cowen Sep 2018

Radiation Effects In Metal Oxides And Carbides, Benjamin Jackson Cowen

Nuclear Engineering ETDs

MD simulations of SiO2, TiO2, Cr2O3, Al2O3, MgO, and SiC, are performed to: (a) calculate TDE probability distributions and dependence on crystallographic direction, and (b) determine the number and types of defects formed with low- and high-energy PKAs and projectiles. In addition, a qualitative comparison of the MD simulation results of radiation damage in TiO2, MgO, and crystalline and amorphous SiC thin films are compared with those of in situ TEM ion beam irradiation experiments at the Sandia National Laboratories’ I3TEM facility.

The TDE probability distributions show strong anisotropy ...