Thermophysical Properties of alpha-Pu2O3: A New Potential Model


GÜNAY Ş. , Akgenc B., AKDERE Ü. , TAŞSEVEN Ç.

3rd International Congress on Advances in Applied Physics and Materials Science, Antalya, Turkey, 24 - 28 April 2013, vol.1569, pp.208-211 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 1569
  • Doi Number: 10.1063/1.4849260
  • City: Antalya
  • Country: Turkey
  • Page Numbers: pp.208-211

Abstract

alpha-Pu2O3 is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into alpha-Pu2O3 and PuO2 which are in the form of layers one on another [1]. Here we have investigated thermal properties of alpha-Pu2O3 by molecular dynamics simulation by using a partially ionic semi-empirical rigid ion potential. Mechanical properties, thermal expansion, and heat capacity are calculated. Results were compared with available experimental data and quantum calculation [2]. Due to the experimental limitations such as toxicity and radiation effects, studying the physical properties of such materials from molecular dynamics simulations have vital importance.