Ab-initio calculations of thermal properties of actinide dioxides

Machida, Masahiko ; Nakamura, Hiroki ; Kato, Masato

In this talk, we report recent advancement of first principle's calculations for high temperature material properties of Uranium and Plutonium dioxides. Firstly, we introduce methodological scheme and then focus on the thermal conductivity calculation. We present the temperature dependences of thermal conductivity together with the comparison with experimental data.

Language	:	English
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Meeting title	:	ACTINIDES 2017
Held date	:	2017/07
Location (city)	:	Sendai
Location (country)	:	Japan
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Keywords	:	第一原理計算; 核燃料酸化物; 熱伝導率
Research Facility	:	大型計算機・スパコン(東海)
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Registration No. : BB20170585
JAEA Abstracts No. :
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