[2D10-14] Fundamental Properties

[2D13] First-principles calculations of mechanical properties of (Th,Pu)O₂

*Hiroki Nakamura¹, Masahiko Machida¹ (1. Japan Atomic Energy Agency)

Keywords:MOX fuels, first-priciples calculations

In developing safer and more efficient nuclear fuels, it is crucial to understand their physical properties of oxide fuels using numerical simulations. In this paper, we evaluate elastic constants of (Th,Pu)O₂ using first-principles calculations, where the structures of (Th,Pu)O₂ are constructed through the special quasi-random structure method.