Using Molecular Dynamics, this paper investigates the thermophysical properties and oxygen transport of (Thx,Pu1−x)O2 (0 ≤ x ≤ 1) between 300-3500 K. In particular, the superionic transition is investigated and viewed via the thermal dependence of lattice parameter, linear thermal expansion coefficient, enthalpy and specific heat at constant pressure. Oxygen diffusivity and activation enthalpy are also investigated. Below the superionic temperature an increase of oxygen diffusivity for certain compositions of (Thx,Pu1−x)O2 compared to the pure end members is predicted. Oxygen defect formation enthalpies are also examined, as they underpin the superionic transition temperature and the increase in oxygen diffusivity. The increase in oxygen di...
International audienceOne way of increasing significantly the efficiency in designing and qualifying...
The thermophysical properties of nuclear fuels being developed in generation IV nuclear reactors are...
International audienceThe molecular Monte Carlo method, combined with the CRG interatomic potential,...
Using molecular dynamics, the thermophysical properties of the (U-x,Pu1-x)O-2 system have been inves...
Molecular dynamics (MD) simulations were performed to determine thermal expansion, thermal conductiv...
Values are reported of specific heat, thermal conductivity and thermal diffusivity of UO2 from 1500 ...
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-...
Plutonium is considered to provide more than one third of the reactor’s energy output. Pu-239 is mos...
Uranium, a common element that can be found across the world, can be used in nuclear reactors as UO2...
Control of the defect chemistry in UO2±x is important for manipulating nuclear fuel properties and f...
There is still no clear understanding of the plutonium content influence on the thermal conductivity...
In the present work, calculations of the thermal conductivity of UO2 were carried out applying class...
Values are presented for thermal conductivity, specific heat, spectral and total hemispherical emiss...
Uranium dioxide (UO₂) is the most commonly used fuel in light-water nuclear reactors and thermal con...
Received: 04.02.2021. Revised: 30.03.2021. Accepted: 30.03.2021. Available online: 31.03.2021.This a...
International audienceOne way of increasing significantly the efficiency in designing and qualifying...
The thermophysical properties of nuclear fuels being developed in generation IV nuclear reactors are...
International audienceThe molecular Monte Carlo method, combined with the CRG interatomic potential,...
Using molecular dynamics, the thermophysical properties of the (U-x,Pu1-x)O-2 system have been inves...
Molecular dynamics (MD) simulations were performed to determine thermal expansion, thermal conductiv...
Values are reported of specific heat, thermal conductivity and thermal diffusivity of UO2 from 1500 ...
Our series of articles is devoted to high-precision molecular dynamics simulation of mixed actinide-...
Plutonium is considered to provide more than one third of the reactor’s energy output. Pu-239 is mos...
Uranium, a common element that can be found across the world, can be used in nuclear reactors as UO2...
Control of the defect chemistry in UO2±x is important for manipulating nuclear fuel properties and f...
There is still no clear understanding of the plutonium content influence on the thermal conductivity...
In the present work, calculations of the thermal conductivity of UO2 were carried out applying class...
Values are presented for thermal conductivity, specific heat, spectral and total hemispherical emiss...
Uranium dioxide (UO₂) is the most commonly used fuel in light-water nuclear reactors and thermal con...
Received: 04.02.2021. Revised: 30.03.2021. Accepted: 30.03.2021. Available online: 31.03.2021.This a...
International audienceOne way of increasing significantly the efficiency in designing and qualifying...
The thermophysical properties of nuclear fuels being developed in generation IV nuclear reactors are...
International audienceThe molecular Monte Carlo method, combined with the CRG interatomic potential,...