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Building a DFT+U machine learning interatomic potential for uranium dioxide

Artificial intelligence chemistry, 2024-06, Vol.2 (1), p.100042, Article 100042

2024

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Modeling of fission gas diffusion and release for ▪ doped

Journal of nuclear materials, 2023-10, Vol.584, p.154575, Article 154575

2023

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

Journal of physics. Condensed matter, 2014-03, Vol.26 (10), p.105401-105401

2014

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Fission gas release from UO2 nuclear fuel: A review

Journal of nuclear materials, 2019-01, Vol.513, p.310-345

2019

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Ceramic nuclear fuel performance and the role of atomic scale simulations

Journal of nuclear materials, 2022-04, Vol.561, p.153531, Article 153531

Cooper, M.W.D.

2022

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Cluster dynamics simulation of uranium self-diffusion during irradiation in UO2

Journal of nuclear materials, 2019-12, Vol.527 (C), p.151787, Article 151787

2019

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The defect chemistry of UO2±x from atomistic simulations

Journal of nuclear materials, 2018-06, Vol.504, p.251-260

2018

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Modelling the thermal conductivity of (UxTh1−x)O2 and (UxPu1−x)O2

Journal of nuclear materials, 2015-11, Vol.466 (C), p.29-35

2015

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Cluster dynamics simulation of xenon diffusion during irradiation in UO2

Journal of nuclear materials, 2020-11, Vol.540, p.152326, Article 152326

2020

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Radiation induced athermal diffusivity in uranium mononitride

Journal of nuclear materials, 2024-12, Vol.601, p.155313, Article 155313

2024

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The role of dopant charge state on defect chemistry and grain growth of doped UO2

Acta materialia, 2018-05, Vol.150 (C), p.403-413

2018

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Assessment of uranium nitride interatomic potentials

Journal of nuclear materials, 2024-11, Vol.600 (C), p.155247, Article 155247

2024

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Thermophysical properties and oxygen transport in the (Ux,Pu1−x)O2 lattice

Journal of nuclear materials, 2015-06, Vol.461, p.206-214

2015

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Thermal Energy Transport in Oxide Nuclear Fuel

Chemical reviews, 2022-02, Vol.122 (3), p.3711-3762

2022

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First-principles investigation of uranium mononitride (UN): Effect of magnetic ordering, spin-orbit interactions and exchange correlation functional

Journal of nuclear materials, 2022-02, Vol.559 (C), p.153401, Article 153401

2022

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Machine learning method to determine concentrations of structural defects in irradiated materials

Computational materials science, 2024-06, Vol.242, p.113079, Article 113079

2024

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Modeling oxygen self-diffusion in UO2 under pressure

Solid state ionics, 2015-12, Vol.282, p.26-30

2015

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Simulations of self- and Xe diffusivity in uranium mononitride including chemistry and irradiation effects

Journal of nuclear materials, 2023-12, Vol.587, p.154685, Article 154685

2023

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Correlations for the specific heat capacity of ( U x Pu 1 − x ) 1 − y Gd y O 2 − z derived from molecular dynamics

Journal of nuclear materials, 2022-12, Vol.572, p.154028, Article 154028

2022

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A modified Embedded-Atom Method interatomic potential for uranium-silicide

Journal of nuclear materials, 2017-11, Vol.495 (C), p.267-276

2017

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Radiation driven diffusion in γU-Mo

Journal of nuclear materials, 2021-01, Vol.543 (n/a), p.152568, Article 152568

2021

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Bayesian calibration with summary statistics for the prediction of xenon diffusion in UO2 nuclear fuel

Computational materials science, 2023-06, Vol.225, p.112184, Article 112184

2023

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Development and application of a uranium mononitride (UN) potential: Thermomechanical properties and Xe diffusion

Journal of nuclear materials, 2022-04, Vol.562, p.153553, Article 153553

2022

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Phase-field simulations of fission gas bubbles in high burnup UO 2 during steady-state and LOCA transient conditions

Journal of nuclear materials, 2021-12, Vol.557, p.153267, Article 153267

2021

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First-principles investigation of uranium mononitride (UN): Effect of magnetic ordering, spin-orbit interactions and exchange correlation functional

Journal of nuclear materials, 2021-11, Vol.559

2021

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Building a DFT+U machine learning interatomic potential for uranium dioxide

Modeling of fission gas diffusion and release for ▪ doped

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

Fission gas release from UO2 nuclear fuel: A review

Ceramic nuclear fuel performance and the role of atomic scale simulations

Cluster dynamics simulation of uranium self-diffusion during irradiation in UO2

The defect chemistry of UO2±x from atomistic simulations

Modelling the thermal conductivity of (UxTh1−x)O2 and (UxPu1−x)O2

Cluster dynamics simulation of xenon diffusion during irradiation in UO2

Radiation induced athermal diffusivity in uranium mononitride

The role of dopant charge state on defect chemistry and grain growth of doped UO2

Assessment of uranium nitride interatomic potentials

Thermophysical properties and oxygen transport in the (Ux,Pu1−x)O2 lattice

Thermal Energy Transport in Oxide Nuclear Fuel

First-principles investigation of uranium mononitride (UN): Effect of magnetic ordering, spin-orbit interactions and exchange correlation functional

Machine learning method to determine concentrations of structural defects in irradiated materials

Modeling oxygen self-diffusion in UO2 under pressure

Simulations of self- and Xe diffusivity in uranium mononitride including chemistry and irradiation effects

Correlations for the specific heat capacity of ( U x Pu 1 − x ) 1 − y Gd y O 2 − z derived from molecular dynamics

A modified Embedded-Atom Method interatomic potential for uranium-silicide

Radiation driven diffusion in γU-Mo

Bayesian calibration with summary statistics for the prediction of xenon diffusion in UO2 nuclear fuel

Development and application of a uranium mononitride (UN) potential: Thermomechanical properties and Xe diffusion

Phase-field simulations of fission gas bubbles in high burnup UO 2 during steady-state and LOCA transient conditions

First-principles investigation of uranium mononitride (UN): Effect of magnetic ordering, spin-orbit interactions and exchange correlation functional

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