Computer Simulation of Radiation Effects in Zircon
EMSL Project ID
3534b
Abstract
Zircon is an extremely durable mineral proposed as a crystalline host for the disposal of high actinide waste forms. In order to minimize the release of actinides to the environment, it is essential to understand the production of defects by radiation, the subsequent migration of these defects, and basic diffusion mechanisms in zircon. In order to obtain such an understanding, molecular dynamics computer simulations employing nearly a million atoms are needed. These simulations will help in the interpretation of experimental results and in tailoring the waste isolation hosts to minimize actinide release.
Project Details
Project type
Exploratory Research
Start Date
2005-06-09
End Date
2007-06-27
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Devanathan R, and WJ Weber. 2007. "Radiation Effects in a Model Ceramic for Nuclear Waste Disposal." JOM. The Journal of the Minerals, Metals and Materials Society 59(4):32-35.
Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2006. "Molecular Dynamics Simulation of Energetic Uranium Recoil Damage in Zircon." Molecular Simulation 32(12-13):1069-1077.