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Bidimensional phases in Co–Pt surface alloys: A theoretical study of ordering and surface segregation

Surface science, 2019-01, Vol.679, p.128-138

2019

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Insights on the capabilities and improvement ability of classical many-body potentials: Application to α-zirconium

Computational materials science, 2024-01, Vol.231, p.112544, Article 112544

2024

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Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys

Surface science, 2020-10, Vol.700, p.121626, Article 121626

2020

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How to take into account local concentration in Ising-based Monte-Carlo: illustration with zirconium hydrides

Computational materials science, 2021-09, Vol.197, p.110547, Article 110547

2021

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Atomistic study of porosity impact on phonon driven thermal conductivity: Application to uranium dioxide

Journal of applied physics, 2014-01, Vol.115 (3)

2014

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Atomistic modelling of residual stress at UO2 surfaces

Journal of physics. Condensed matter, 2016-01, Vol.28 (1), p.015006-015006

2016

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Effect of magnetism on surface segregation in FeNi alloys

Journal of physics. Condensed matter, 2016-02, Vol.28 (6), p.064003-064003

2016

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Theoretical study of xenon adsorption in UO2 nanoporous matrices

Journal of physics. Condensed matter, 2014-12, Vol.26 (48), p.485015-485015

2014

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How to derive tight-binding spd potentials? Application to zirconium

Journal of physics. Condensed matter, 2015-08, Vol.27 (33), p.336301-336301

2015

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Theoretical study of xenon adsorption on UO2 surfaces

Journal of physics communications, 2018-03, Vol.2 (3)

2018

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Theoretical study of xenon adsorption on UO 2 surfaces

Journal of physics communications, 2018-03, Vol.2 (3), p.35041

2018

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Tight-binding modeling of interstitial ordering processes in metals: Application to zirconium hydrides

Physical review. B, 2020-06, Vol.101 (22), p.1, Article 224106

2020

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Effect of magnetism on the atomic structure and properties of 5 grain boundaries in fcc Fe and fcc Ni

Acta materialia, 2022, Vol.226

2022

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Influence of surface stress in the missing row reconstruction of fcc transition metals

Surface science, 2006-12, Vol.600 (24), p.5131-5135

2006

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Molecular dynamics simulation of silicon oxidization

Thin solid films, 2010-02, Vol.518 (9), p.2422-2426

2010

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Site segregation in size-mismatched nanoalloys: Application to Cu–Ag

Surface science, 2006-11, Vol.600 (22), p.5011-5020

2006

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Atomistic modelling of residual stress at UO sub(2) surfaces

Journal of physics. Condensed matter, 2016-01, Vol.28 (1)

2016

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Theoretical study of xenon adsorption in UO sub(2) nanoporous matrices

Journal of physics. Condensed matter, 2014-12, Vol.26 (48), p.1-9

2014

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Theoretical study of xenon adsorption in UO2nanoporous matrices

Journal of physics. Condensed matter, 2014-11, Vol.26

2014

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Theoretical and Experimental Evidences of Sequential Phase Formation during Sub-Nanometric-Thick Film Reactive Diffusion

Diffusion and defect data, 2011-06, Vol.172-174, p.633-639

2011

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Self-organization of Ge tetramers on Ag(0 0 1) surface: A 2D realization of unusual substrate mediated interactions

Surface science, 2008-01, Vol.602 (2), p.506-510

2008

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Effect of magnetism on the atomic structure and properties of Σ5 grain boundaries in fcc Fe and fcc Ni

Acta materialia, 2022-03, Vol.226, Article 117636

2022

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Electronic Structure of Nanoalloys: A Guide of Useful Concepts and Tools

Nanoalloys, 2012, p.159-195

2012

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Model of surface segregation driving forces and their coupling

Physical review. B, Condensed matter and materials physics, 2008-08, Vol.78 (7), Article 075413

2008

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Effect of magnetism on the atomic structure and properties of Σ 5 grain boundaries in fcc Fe and fcc Ni

Acta materialia, 2022-03, Vol.226, p.117636, Article 117636

2022

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Bidimensional phases in Co–Pt surface alloys: A theoretical study of ordering and surface segregation

Insights on the capabilities and improvement ability of classical many-body potentials: Application to α-zirconium

Tight-binding Ising modeling of the interplay between bulk ordering and surface segregation in Pt-Ag nanoalloys

How to take into account local concentration in Ising-based Monte-Carlo: illustration with zirconium hydrides

Atomistic study of porosity impact on phonon driven thermal conductivity: Application to uranium dioxide

Atomistic modelling of residual stress at UO2 surfaces

Effect of magnetism on surface segregation in FeNi alloys

Theoretical study of xenon adsorption in UO2 nanoporous matrices

How to derive tight-binding spd potentials? Application to zirconium

Theoretical study of xenon adsorption on UO2 surfaces

Theoretical study of xenon adsorption on UO 2 surfaces

Tight-binding modeling of interstitial ordering processes in metals: Application to zirconium hydrides

Effect of magnetism on the atomic structure and properties of 5 grain boundaries in fcc Fe and fcc Ni

Influence of surface stress in the missing row reconstruction of fcc transition metals

Molecular dynamics simulation of silicon oxidization

Site segregation in size-mismatched nanoalloys: Application to Cu–Ag

Atomistic modelling of residual stress at UO sub(2) surfaces

Theoretical study of xenon adsorption in UO sub(2) nanoporous matrices

Theoretical study of xenon adsorption in UO2nanoporous matrices

Theoretical and Experimental Evidences of Sequential Phase Formation during Sub-Nanometric-Thick Film Reactive Diffusion

Self-organization of Ge tetramers on Ag(0 0 1) surface: A 2D realization of unusual substrate mediated interactions

Effect of magnetism on the atomic structure and properties of Σ5 grain boundaries in fcc Fe and fcc Ni

Electronic Structure of Nanoalloys: A Guide of Useful Concepts and Tools

Model of surface segregation driving forces and their coupling

Effect of magnetism on the atomic structure and properties of Σ 5 grain boundaries in fcc Fe and fcc Ni

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