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Thermal conductivities of amorphous SiO2 films by approach-to-equilibrium molecular dynamics
Louis Petit
,
Cheick O Diarra
,
Achille Lambrecht
,
Ibrahim Bel-Hadj
,
Mauro Boero
et al.
Article dans une revue
hal-05514396v1
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Exciton Radiative Lifetime and Diffusion Length from First-Principles Atomic Trajectories: Method Assessment for P3HT
Cheick Oumar Diarra
,
Julien Taillieu
,
Mauro Boero
,
Thomas Heiser
,
Evelyne Martin
Article dans une revue
hal-05227333v1
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Amorphous structures and statistical sampling in first-principles molecular dynamics: The prototypical case of glassy GeSe<sub>3</sub>
Evelyne Martin
,
Carlo Massobrio
Article dans une revue
hal-04944159v2
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Heat transfer through covalent versus non-covalent bonding: a case study in the crystalline π-conjugated P3HT polymer by approach-to-equilibrium molecular dynamics
Cheick Oumar Diarra
,
Carlo Massobrio
,
Évelyne Martin
Article dans une revue
hal-05198298v1
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Assessing the thermal conductivity of amorphous SiN by approach-to-equilibrium molecular dynamics
Achille Lambrecht
,
Guido Ori
,
Carlo Massobrio
,
Mauro Boero
,
Évelyne Martin
Article dans une revue
hal-04490310v1
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Thermal conductivity of crystalline Ge2Sb2Te5: lattice contribution and size effects in the cubic phase quantified by approach-to-equilibrium molecular dynamics
Ibrahim Bel-Hadj
,
Mohammed Guerboub
,
Achille Lambrecht
,
Guido Ori
,
Carlo Massobrio
et al.
Article dans une revue
hal-04495079v2
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Impact of the local atomic structure on the thermal conductivity of amorphous Ge2Sb2Te5
Mohammed Guerboub
,
Steve Dave Wansi Wendji
,
Carlo Massobrio
,
Assil Bouzid
,
Mauro Boero
et al.
Article dans une revue
hal-04014339v1
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On the actual difference between the Nosé and the Nosé‐Hoover thermostats : a critical review of canonical temperature control by molecular dynamics
Carlo Massobrio
,
Irene Amiehe Essomba
,
Mauro Boero
,
Cheick Oumar Diarra
,
Mohammed Guerboub
et al.
Article dans une revue
hal-04280276v1
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Exciton diffusion in poly(3-hexylthiophene) by first-principles molecular dynamics
Cheick Oumar Diarra
,
Mauro Boero
,
Emilie Steveler
,
Thomas Heiser
,
Évelyne Martin
Article dans une revue
hal-04255894v1
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Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics
Evelyne Martin
,
Guido Ori
,
Thuy-Quynh Duong
,
Carlo Massobrio
,
Mauro Boero
Article dans une revue
hal-03560461v1
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Impact of Dispersion Force Schemes on Liquid Systems: Comparing Efficiency and Drawbacks for Well-Targeted Test Cases
Evelyne Martin
,
Irene Berenger Amiehe Essomba
,
Kana Ishisone
,
Mauro Boero
,
Guido Ori
et al.
Article dans une revue
hal-04014336v1
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Atomic structure of amorphous SiN: Combining Car–Parrinello and Born–Oppenheimer first-principles molecular dynamics
Achille Lambrecht
,
Carlo Massobrio
,
Mauro Boero
,
Guido Ori
,
Évelyne Martin
Article dans une revue
hal-03688862v1
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First-principles thermal transport in amorphous Ge 2 Sb 2 Te 5 at the nanoscale
Thuy-Quynh Duong
,
Assil Bouzid
,
Carlo Massobrio
,
Guido Ori
,
Mauro Boero
et al.
Article dans une revue
hal-03169059v1
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Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics
Thuy-Quynh Duong
,
Carlo Massobrio
,
Guido Ori
,
Mauro Boero
,
Évelyne Martin
Article dans une revue
hal-02990565v1
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Heat transport in disordered network forming materials: Size effects and existence of propagative modes
Thuy-Quynh Duong
,
Carlo Massobrio
,
Mauro Boero
,
Guido Ori
,
Évelyne Martin
Article dans une revue
hal-02990579v1
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Atomic Structure of Glassy GeTe 4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces
Pier Luigi Silvestrelli
,
Évelyne Martin
,
Mauro Boero
,
Assil Bouzid
,
Guido Ori
et al.
Article dans une revue
hal-03086320v1
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Chalcogenide glasses for innovation in applied science: fundamental issues and new insights
Carlo Massobrio
,
Assil Bouzid
,
Mauro Boero
,
Guido Ori
,
Évelyne Martin
et al.
Article dans une revue
hal-02349413v1
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Thermal conductivity and transport modes in glassy GeTe 4 by first-principles molecular dynamics
Thuy-Quynh Duong
,
Carlo Massobrio
,
Guido Ori
,
Mauro Boero
,
Évelyne Martin
Article dans une revue
hal-02312816v1
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Interface thermal behavior in nanomaterials by thermal grating relaxation
Pier Luca Palla
,
Sonia Zampa
,
Évelyne Martin
,
Fabrizio Cleri
Article dans une revue
hal-02128371v1
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Chalcogenide glasses as a playground for the application of first-principles molecular dynamics to disordered materials
Guido Ori
,
Assil Bouzid
,
Évelyne Martin
,
Carlo Massobrio
,
Sébastien Le Roux
et al.
Article dans une revue
hal-02349474v1
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Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides
Carlo Massobrio
,
Évelyne Martin
,
Ziyad Chaker
,
Mauro Boero
,
Assil Bouzid
et al.
Article dans une revue
hal-02312708v1
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The role of dispersion forces on the atomic structure of glassy chalcogenides: The case of GeSe4 and GeS4
Ziyad Chaker
,
Guido Ori
,
Christine Tugène
,
Sébastien Le Roux
,
Mauro Boero
et al.
Article dans une revue
hal-02312769v1
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Thermal conductivity of deca-nanometric patterned Si membranes by multiscale simulations
Hayat Zaoui
,
Pier Luca Palla
,
Stefano Giordano
,
Fabrizio Cleri
,
Maxime Verdier
et al.
Article dans une revue
hal-01826181v1
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On the occurrence of size effects in the calculation of thermal conductivity by first-principles molecular dynamics: The case of glassy GeTe4
Évelyne Martin
,
Pier Luca Palla
,
Fabrizio Cleri
,
Assil Bouzid
,
Guido Ori
et al.
Article dans une revue
hal-02128447v1
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Influence of amorphous layers on the thermal conductivity of phononic crystals
Maxime Verdier
,
David Lacroix
,
Stanislav Didenko
,
J.F. Robillard
,
Évelyne Martin
et al.
Article dans une revue
hal-01754618v1
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Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2
Évelyne Martin
,
Assil Bouzid
,
Guido Ori
,
Mauro Boero
,
Carlo Massobrio
Article dans une revue
hal-02349387v1
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Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics
Assil Bouzid
,
Hayat Zaoui
,
Pier Luca Palla
,
Guido Ori
,
Mauro Boero
et al.
Article dans une revue
hal-02349381v1
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Fourier-like conduction and finite one-dimensional thermal conductivity in long silicon nanowires by approach-to-equilibrium molecular dynamics
Hayat Zaoui
,
Pier Luca Palla
,
Fabrizio Cleri
,
Évelyne Martin
Article dans une revue
hal-03407494v1
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Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics
Hayat Zaoui
,
Pier Luca Palla
,
Fabrizio Cleri
,
Évelyne Martin
Article dans une revue
hal-03408271v1
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Molecular dynamics simulation of the recrystallization of amorphous Si layers: Comprehensive study of the dependence of the recrystallization velocity on the interatomic potential
Christophe Krzeminski
,
Quentin Brulin
,
Valérie Cuny
,
Emmanuel Lecat
,
Évelyne Martin
et al.
Article dans une revue
hal-00605238v1
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Auger and Coulomb Charging Effects in Semiconductor Nanocrystallites
Christophe Delerue
,
Michel Lannoo
,
Guy Allan
,
Évelyne Martin
,
Irina Mihalcescu
et al.
Article dans une revue
hal-01628592v1
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Saturation and voltage quenching of porous-silicon luminescence and the importance of the Auger effect
Irina Mihalcescu
,
Jean-Claude Aimé Vial
,
Ahmad Bsiesy
,
F. Muller
,
Robert Romestain
et al.
Article dans une revue
hal-01628598v1
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