To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …

Abstract The molecular Monte Carlo method, combined with the CRG interatomic potential,
is used for the first time to investigate stoichiometric mixed oxides U 1-y Pu y O 2 (with y in …

Phase-change materials (crystalline at low temperatures and partial-crystalline partial-liquid
state at high temperatures) are widely used as thermoelectric converters and battery …

Crystalline materials at elevated temperatures and pressures can exhibit properties more
reminiscent of simple liquids than ideal crystalline materials. Superionic crystalline materials …

We assess five empirical interatomic potentials in the approximation of rigid ions and pair
interactions for the (U 1− y, Pu y) O solid solution. The assessment compares available …

High‐temperature time‐of‐flight neutron diffraction experiments were performed on cubic
yttria‐stabilized zirconia (YSZ, 10 mol% YO1. 5) and lanthanum zirconate (LZ) prepared by …

The melting behaviors of pure ThO 2, UO 2 and PuO 2 as well as (Th, U) O 2 and (Th, Pu) O
2 mixed oxides (MOX) have been studied using molecular dynamics (MD) simulations. The …

Both the mechanical properties of oxide nuclear fuel and the high burn-up grain
restructuring are known to be related to dislocation motion. Previous studies show that at …

In nuclear engineering, thermal conductivity of nuclear fuel materials is one of the most
essential thermophysical data in analyzing nuclear reactor safety and fuel performance. In …

In the present work, calculations of the thermal conductivity of UO2 were carried out applying
classical Molecular Dynamics for the isothermal-isobaric (NPT) statistical ensemble, using …