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Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance

Acta materialia, 2021-07, Vol.213, p.116951, Article 116951

2021

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Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

Philosophical magazine (Abingdon, England), 2009-12, Vol.89 (34-36), p.3531-3546

2009

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A DFT study of H solubility and diffusion in the Fe-Cr system

Computational materials science, 2018-11, Vol.154, p.243-250

2018

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Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks

Computational materials science, 2018-06, Vol.148, p.116-130

2018

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Iron chromium potential to model high-chromium ferritic alloys

Philosophical magazine (Abingdon, England), 2011-04, Vol.91 (12), p.1724-1746

2011

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Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the art

Journal of nuclear materials, 2009-03, Vol.385 (2), p.268-277

2009

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Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Journal of nuclear materials, 2010-11, Vol.406 (1), p.7-18

2010

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Determination of the phase diagram from interatomic potentials: The iron–chromium case

Computational materials science, 2011-05, Vol.50 (7), p.2216-2220

2011

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Probing radiation resistance in simulated metallic core–shell nanoparticles

Computational materials science, 2023-08, Vol.227, p.112304, Article 112304

2023

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Interatomic potentials consistent with thermodynamics: The Fe–Cu system

Journal of nuclear materials, 2007-02, Vol.360 (2), p.118-127

2007

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Hydrogen diffusion and trapping in nanocrystalline tungsten

Journal of nuclear materials, 2015-03, Vol.458, p.233-239

2015

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ATOMIC SIMULATIONS OF VOIDS IN U-10wt%Mo FUEL

Anales AFA, 2023-03, Vol.34 (1), p.17-21

2023

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THEORETICAL AND NUMERICAL STUDY OF HYDROGEN DIFFUSION IN Zr-Nb ALLOYS

Anales AFA, 2022-01, Vol.32 (4), p.112-119

2022

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Computer simulation of SIA migration in bcc and hcp metals

Journal of nuclear materials, 2000, Vol.276 (1), p.230-234

2000

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Predicting vacancy migration energies in lattice-free environments using artificial neural networks

Computational materials science, 2014-03, Vol.84, p.217-225

2014

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Issues in the ab-initio assessment of hcp transition metals self-diffusion

Physica. B, Condensed matter, 2012-08, Vol.407 (16), p.3298-3300

2012

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First-principles appraisal of solute ultra-fast diffusion in hcp Zr and Ti

Journal of nuclear materials, 2013-03, Vol.434 (1-3), p.158-161

2013

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Fitting interatomic potentials consistent with thermodynamics: Fe, Cu, Ni and their alloys

Philosophical magazine (Abingdon, England), 2009-12, Vol.89 (34-36), p.3451-3464

2009

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Gauge transformations to combine multi-component many-body interatomic potentials

Philosophical magazine letters, 2010-08, Vol.90 (8), p.559-563

2010

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Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

Philosophical magazine (Abingdon, England), 2010-07, Vol.90 (19), p.2585-2595

2010

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Interatomic potentials for alloys: Fitting concentration dependent properties

Philosophical magazine (Abingdon, England), 2009-03, Vol.89 (8), p.711-725

2009

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Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriers

Journal of nuclear materials, 2009-07, Vol.392 (1), p.100-104

2009

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Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

Journal of nuclear materials, 2011-02, Vol.409 (2), p.167-175

2011

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Search of hydrogen transition states on α-Fe: The monomer adapted to first principles calculations

Physica. B, Condensed matter, 2009-10, Vol.404 (18), p.2880-2882

2009

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Small interstitials clusters migration in bcc metals: A Molybdenum model

Computational materials science, 2010-06, Vol.48 (4), p.783-789

2010

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Simulations of primary damage in a High Entropy Alloy: Probing enhanced radiation resistance

Ternary Fe-Cu-Ni many-body potential to model reactor pressure vessel steels: First validation by simulated thermal annealing

A DFT study of H solubility and diffusion in the Fe-Cr system

Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks

Iron chromium potential to model high-chromium ferritic alloys

Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the art

Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Determination of the phase diagram from interatomic potentials: The iron–chromium case

Probing radiation resistance in simulated metallic core–shell nanoparticles

Interatomic potentials consistent with thermodynamics: The Fe–Cu system

Hydrogen diffusion and trapping in nanocrystalline tungsten

ATOMIC SIMULATIONS OF VOIDS IN U-10wt%Mo FUEL

THEORETICAL AND NUMERICAL STUDY OF HYDROGEN DIFFUSION IN Zr-Nb ALLOYS

Computer simulation of SIA migration in bcc and hcp metals

Predicting vacancy migration energies in lattice-free environments using artificial neural networks

Issues in the ab-initio assessment of hcp transition metals self-diffusion

First-principles appraisal of solute ultra-fast diffusion in hcp Zr and Ti

Fitting interatomic potentials consistent with thermodynamics: Fe, Cu, Ni and their alloys

Gauge transformations to combine multi-component many-body interatomic potentials

Kinetics versus thermodynamics in materials modeling: The case of the di-vacancy in iron

Interatomic potentials for alloys: Fitting concentration dependent properties

Ab initio approach to the effect of Fe on the diffusion in hcp Zr II: The energy barriers

Further development of large-scale atomistic modelling techniques for Fe–Cr alloys

Search of hydrogen transition states on α-Fe: The monomer adapted to first principles calculations

Small interstitials clusters migration in bcc metals: A Molybdenum model

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