Journal ArticleDOI
Evaluation of thermal properties of UO2 and PuO2 by equilibrium molecular dynamics simulations from 300 to 2000 K
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TLDR
In this paper, the thermal properties of UO2 and PuO2 were investigated by the equilibrium molecular dynamics simulations between 300 and 2000 K using the Born-Mayer-Huggins interatomic potential with the partially ionic model (PIM).About:
This article is published in Journal of Alloys and Compounds.The article was published on 2005-09-01. It has received 124 citations till now. The article focuses on the topics: Interatomic potential & Thermal conductivity.read more
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Comparison of interatomic potentials for UO2. Part I: Static calculations
TL;DR: In this paper, the authors assess the range of applicability of the available interatomic potentials for UO 2 by static calculations, together with defect properties: the formation and activation energies of vacancies and interstitials, the binding energy of small clusters of these defects and the volume change associated with them.
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A many-body potential approach to modelling the thermomechanical properties of actinide oxides
TL;DR: A many-body potential model for the description of actinide oxide systems, which is robust at high temperatures, is reported for the first time and is also used to predict the energies of Schottky and Frenkel pair disorder processes.
Journal ArticleDOI
Comparison of interatomic potentials for UO2. Part II: Molecular dynamics simulations
TL;DR: In this article, the authors used semi-empirical potentials to simulate the temperature evolution of different elastic properties (lattice parameter, specific heat, bulk modulus and Gruneisen parameter) and by calculations of bulk melting temperature.
Journal ArticleDOI
Molecular dynamics simulation of premelting and melting phase transitions in stoichiometric uranium dioxide.
TL;DR: A novel fast method of computation of Coulomb forces reveals characteristic features of a premelting lambda transition at a temperature near to that experimentally observed (T(lambda)=2670 K) and predictions for liquid UO2 are in good agreement with existing experimental data and theoretical calculations.
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Fission gas release from UO2 nuclear fuel: A review
TL;DR: A review of existing research on the basic mechanisms of fission gas release during normal reactor operation is summarized in this paper, and critical areas where further work is needed are identified and discussed.
References
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Book
Introduction to solid state physics
TL;DR: In this paper, the Hartree-Fock Approximation of many-body techniques and the Electron Gas Polarons and Electron-phonon Interaction are discussed.
Journal ArticleDOI
Potential models for ionic oxides
G. V. Lewis,C. R. A. Catlow +1 more
TL;DR: In this article, the authors present a systematic approach to the derivation of empirical potential parameters for binary oxides; they also consider their modification for use in mixed oxide systems, and discuss successful applications of the potentials to the calculation of perfect lattice properties.
Journal ArticleDOI
Thermophysical properties of uranium dioxide
TL;DR: The thermophysical properties of uranium dioxide from room temperature to 6000 K are reviewed in this article, including enthalpy, heat capacity, vapor pressure, density, thermal expansion, compressibility, thermal conductivity, viscosity, and emissivity.