Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model
- Department of Physics, Faculty of Science, Yildiz Technical University, Davutpaþa Campus, Esenler, 34210, Istanbul (Turkey)
α−Pu{sub 2}O{sub 3} is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into α−Pu{sub 2}O{sub 3} and PuO{sub 2} which are in the form of layers one on another. Here we have investigated thermal properties of α−Pu{sub 2}O{sub 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.
- OSTI ID:
- 22261694
- Journal Information:
- AIP Conference Proceedings, Vol. 1569, Issue 1; Conference: 3. international advances in applied physics and materials science congress, Antalya (Turkey), 24-28 Apr 2013; Other Information: (c) 2013 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
- Country of Publication:
- United States
- Language:
- English
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