Thermophysical properties of ?-Pu2O3: A new potential model
Özet
?-Pu 2 O 3 is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into ?-Pu 2 O 3 and PuO 2 which are in the form of layers one on another [1]. Here we have investigated thermal properties of ?-Pu 2 O 3 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. © 2013 AIP Publishing LLC.
