[1E08-13] Fundamental Properties of Nuclear Fuel Material

[1E11] Evaluation of fundamental properties of CaF₂

(2)DFT analysis of high-temperature properties

*Hiroki Nakamura¹, Masahiko Machida¹, Masato Kato¹ (1. JAEA)

Keywords:first-principles calculation, CaF2

It is difficult to measure thermal properties of nuclear fuel materials such as uranium dioxide, at high temperature just below their melting points. Employing calcium fluoride as alternative nuclear fuel materials, we aim to clarify its thermophysical properties and to understand the mechanism and behavior of nuclear fuel at high temperature. In this paper, we evaluate thermal properties of calcium fluoride using first-principles calculations and confirm the reliability of the calculations comparing with experimental data. Besides, we analyze the mechanism of the Bredig transition.