Thermophysical properties of α-Pu2O3: A new potential model
3rd International Advances in Applied Physics and Materials Science Congress, APMAS 2013, Antalya, Türkiye, 24 - 28 Nisan 2013, cilt.1569, ss.208-211, (Tam Metin Bildiri)
- Yayın Türü: Bildiri / Tam Metin Bildiri
- Cilt numarası: 1569
- Doi Numarası: 10.1063/1.4849260
- Basıldığı Şehir: Antalya
- Basıldığı Ülke: Türkiye
- Sayfa Sayıları: ss.208-211
- Anahtar Kelimeler: alpha-Pt2O3, molecular dynamics simulation, beta-Pu2O3, lattice constant, elastic modulus, bulk modulus, coordiantion number
- Kırklareli Üniversitesi Adresli: Evet
Özet
α-Pu 2 O 3 is an important material among plutonium based materials in nuclear industry. Pure plutonium surfaces quickly oxidizes into α-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 α-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.