3rd International Congress on Advances in Applied Physics and Materials Science, Antalya, Türkiye, 24 - 28 Nisan 2013, cilt.1569, ss.208-211
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 . 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 . 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.