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Title: Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model

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.
Authors:
; ;  [1] ;  [2]
  1. Department of Physics, Faculty of Science, Yildiz Technical University, Davutpaþa Campus, Esenler, 34210, Istanbul (Turkey)
  2. Kýrklareli University Department of Physics, Faculty of Science, Kavaklý, 39060, Kýrklareli (Turkey)
Publication Date:
OSTI Identifier:
22261694
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1569; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS METHOD; NUCLEAR INDUSTRY; PLUTONIUM; PLUTONIUM OXIDES; RADIATION EFFECTS; SIMULATION; SPECIFIC HEAT; THERMAL EXPANSION; TOXICITY