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Thermophysical Properties of PuO2 and AmO2 Solid Solutions Simulated by Molecular Dynamics

Published online by Cambridge University Press:  01 February 2011

Tosawat Seetawan
Affiliation:
tosawatseetawan@yahoo.com, Sakon Nakhon Rajabhat University, Physics, Nittayo Road, Sakon Nakhon, 47000, Thailand, +66 874283459, +66 42970029
Thaweewat Khuangthip
Affiliation:
khuangthip@hotmail.com, Sakon Nakhon Rajabhat University, Program of Physics, Faculty of Science and Technology, 680 Nittayo Road, Sakon Nakhon 4700, Thailand, Sakon Nakhon, 47000, Thailand
Vittaya Amornkitbamrung
Affiliation:
vittaya@kku.ac.th, Khon Kaen, Integrated Nanotechnology Research Center and Departments of Physics, 123 Mittraparb Road, Muang District, Khon Kaen 40002, Thailand, Khon Kaen, 40002, Thailand
Ken Kurosaki
Affiliation:
kurosaki@see.eng.osaka-u.ac.jp, Osaka University, Division of Sustainable Energy and Environmental Engineering, Graduate School of, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan, Suita, 565-0871, Japan
Jun Adachi
Affiliation:
adachi@nucl.eng.osaka-u.ac.jp, Osaka University, Division of Sustainable Energy and Environmental Engineering, Graduate School of, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan, Suita, 565-0871, Japan
Masahito Katayama
Affiliation:
katayama@ms.see.eng.osaka-u.ac.jp, Osaka University, Division of Sustainable Energy and Environmental Engineering, Graduate School of, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan, Suita, 565-0871, Japan
Anek Charoenphakdee
Affiliation:
anek@ms.see.eng.oska-u.ac.jp, Osaka University, Division of Sustainable Energy and Environmental Engineering, Graduate School of, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan, Suita, 565-0871, Japan
Shinsuke Yamanaka
Affiliation:
yamanaka@nucl.eng.osaka-u.ac.jp, Osaka University, Division of Sustainable Energy and Environmental Engineering, Graduate School of, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan, Suita, 565-0871, Japan
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Abstract

PuO2 and AmO2 solid solutions: (Pu, Am)O2 are one of the candidates of fuels in a sub-critical accelerator-driven system (ADS). To understand the fuel performance, the thermophysical properties such as thermal conductivity and heat capacity are quite important. However, it is very hard to experimentally determine the physical properties of plutonium as well as americium compounds due to their handling-difficulties. Molecular dynamics (MD) would be a specific method to describe the physical properties of such materials. In the present study, we have investigated thermophysical properties of PuO2, AmO2, and their solid solutions in the temperature range from 300 to 2,500 K. The lattice parameter, compressibility, heat capacity, linear thermal expansion coefficient, and thermal conductivity were evaluated. A Morse-type potential function added to the Busing-Ida type potential was employed as the potential for interatomic interactions. The calculated lattice parameters of (Pu, Am)O2 obeyed Vegard's law, and the values increased with temperature. The heat capacities of (Pu, Am)O2 were similar in any compositions. The thermal conductivities of (Pu, Am)O2 were lower than those of PuO2 and AmO2, indicating that a point-defect scattering effect of phonons could be realized in the MD calculations.

Type
Research Article
Copyright
Copyright © Materials Research Society 2008

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