Structure and properties of amorphous uranium dioxide

Experimental and numerical assessment of grain boundary energies in polycrystalline uranium dioxide

(2020) A. Ksibi et al.   JOURNAL OF THE EUROPEAN CERAMIC SOCIETY

Short communication on further elucidating the structure of amorphous U2O7 by extended X-ray absorption spectroscopy and DFT simulations

(2020) Nathan B.A. Thompson et al.   JOURNAL OF NUCLEAR MATERIALS

Experimental and simulation study of grain boundaries in UO2

(2019) Emeric Bourasseau et al.   JOURNAL OF NUCLEAR MATERIALS

Evidence of excess oxygen accommodation in yttria partially-stabilized zirconia

(2019) Simon C. Middleburgh et al.   SCRIPTA MATERIALIA

Density functional theory model of amorphous zinc oxide (a-ZnO) and a-X0.375Z0.625O (X= Al, Ga and In)

(2017) Anup Pandey et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Calorimetric Measurements of Surface Energy of Amorphous HfO2 Nanoparticles Produced by Gas Phase Condensation

(2017) Geetu Sharma et al.   Journal of Physical Chemistry C

Amorphous zirconia: ab initio molecular dynamics simulations

(2017) Murat Durandurdu   PHILOSOPHICAL MAGAZINE

Formation and structure of V–Zr amorphous alloy thin films

(2015) D.J.M. King et al.   ACTA MATERIALIA

Synthesis and sintering of UN-UO 2 fuel composites

(2015) Brian J. Jaques et al.   JOURNAL OF NUCLEAR MATERIALS

Molecular dynamics simulations of intergranular fracture in UO2 with nine empirical interatomic potentials

(2014) Yongfeng Zhang et al.   JOURNAL OF NUCLEAR MATERIALS

Thermal conductivity and energetic recoils in UO2using a many-body potential model

(2014) M J Qin et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A many-body potential approach to modelling the thermomechanical properties of actinide oxides

(2014) M W D Cooper et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Peroxide defect formation in zirconate perovskites

(2014) S. C. Middleburgh et al.   Journal of Materials Chemistry A

Grain boundary complexions

(2013) Patrick R. Cantwell et al.   ACTA MATERIALIA

On the role of strong electron correlations in the surface properties and chemistry of uranium dioxide

(2013) Philippe F. Weck et al.   DALTON TRANSACTIONS

The role of charge and ionic radius on fission product segregation to a model UO2 grain boundary

(2013) Minki Hong et al.   JOURNAL OF APPLIED PHYSICS

Partition of soluble fission products between the grey phase, ZrO2 and uranium dioxide

(2013) M.W.D. Cooper et al.   JOURNAL OF NUCLEAR MATERIALS

Amorphous Alumina Nanoparticles: Structure, Surface Energy, and Thermodynamic Phase Stability

(2013) Amir H. Tavakoli et al.   Journal of Physical Chemistry C

Physics-based modelling of fission gas swelling and release in UO2 applied to integral fuel rod analysis

(2013) Giovanni Pastore et al.   NUCLEAR ENGINEERING AND DESIGN

Accommodation of excess oxygen in fluorite dioxides

(2013) S.C. Middleburgh et al.   SOLID STATE IONICS

Effect of trivalent dopants on local coordination and electronic structure in crystalline and amorphous ZnO

(2013) D. Muñoz Ramo et al.   THIN SOLID FILMS

The structure of fluoride-containing bioactive glasses: new insights from first-principles calculations and solid state NMR spectroscopy

(2012) Alfonso Pedone et al.   JOURNAL OF MATERIALS CHEMISTRY

Predicted structure, thermo-mechanical properties and Li ion transport in LiAlF4 glass

(2012) T.R. Stechert et al.   JOURNAL OF NON-CRYSTALLINE SOLIDS

Solution of trivalent cations into uranium dioxide

(2011) S.C. Middleburgh et al.   JOURNAL OF NUCLEAR MATERIALS

Fluorine Environment in Bioactive Glasses:ab InitioMolecular Dynamics Simulations

(2011) Jamieson K. Christie et al.   JOURNAL OF PHYSICAL CHEMISTRY B

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

(2011) Boris Dorado et al.   PHYSICAL REVIEW B

Stability of oxygen point defects inUO2by first-principlesDFT+Ucalculations: Occupation matrix control and Jahn-Teller distortion

(2010) Boris Dorado et al.   PHYSICAL REVIEW B

Neutron Diffraction Study of the in Situ Oxidation of UO2

(2009) Lionel Desgranges et al.   INORGANIC CHEMISTRY

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The role of grain boundary structure in stress-induced phase transformation in UO2

(2009) Tapan G Desai et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

DFT+Ucalculations of the ground state and metastable states of uranium dioxide

(2009) Boris Dorado et al.   PHYSICAL REVIEW B

Surface modelling on heavy atom crystalline compounds: HfO2 and UO2 fluorite structures

(2008) Robert Evarestov et al.   ACTA MATERIALIA

B3LYP Simulation of the Full Vibrational Spectrum of 45S5 Bioactive Silicate Glass Compared tov-Silica

(2008) Marta Corno et al.   CHEMISTRY OF MATERIALS

Predicted Changes to Alkali Concentration Adjacent to Glass–Crystal Interfaces

(2008) Michael J. D. Rushton et al.   JOURNAL OF THE AMERICAN CERAMIC SOCIETY