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

Abstract

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]
  1. Department of Physics, Faculty of Science, Yildiz Technical University, Davutpaþa Campus, Esenler, 34210, Istanbul (Turkey)
Publication Date:
OSTI Identifier:
22261694
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
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); Journal ID: ISSN 0094-243X
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

Citation Formats

Günay, S. D., E-mail: sdgunay@gmail.com, Akdere, Ü., Taşseven, Ç., and Akgenç, B., E-mail: berna.akgenc@kirklareli.edu.tr. Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model. United States: N. p., 2013. Web. doi:10.1063/1.4849260.
Günay, S. D., E-mail: sdgunay@gmail.com, Akdere, Ü., Taşseven, Ç., & Akgenç, B., E-mail: berna.akgenc@kirklareli.edu.tr. Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model. United States. https://doi.org/10.1063/1.4849260
Günay, S. D., E-mail: sdgunay@gmail.com, Akdere, Ü., Taşseven, Ç., and Akgenç, B., E-mail: berna.akgenc@kirklareli.edu.tr. 2013. "Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model". United States. https://doi.org/10.1063/1.4849260.
@article{osti_22261694,
title = {Thermophysical properties of α−Pu{sub 2}O{sub 3}: A new potential model},
author = {Günay, S. D., E-mail: sdgunay@gmail.com and Akdere, Ü. and Taşseven, Ç. and Akgenç, B., E-mail: berna.akgenc@kirklareli.edu.tr},
abstractNote = {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.},
doi = {10.1063/1.4849260},
url = {https://www.osti.gov/biblio/22261694}, journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1569,
place = {United States},
year = {Mon Dec 16 00:00:00 EST 2013},
month = {Mon Dec 16 00:00:00 EST 2013}
}