Evelyne Martin Directrice de recherche au CNRS

Identifiants chercheurs

IdHAL :

evelyne-martin

ORCID :

0000-0002-6311-6954

IdRef :

119721112

Publications

Article dans une revue (32)

Thermal conductivities of amorphous SiO2 films by approach-to-equilibrium molecular dynamics Louis Petit,Cheick O Diarra,Achille Lambrecht,Ibrahim Bel-Hadj,Mauro Boeroet al. Solid State Sciences, 2026, 175, ⟨10.1016/j.solidstatesciences.2026.108262⟩ Article dans une revue hal-05514396v1
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 Journal of Physical Chemistry B, 2025, ⟨10.1021/acs.jpcb.5c04516⟩ Article dans une revue hal-05227333v1
Amorphous structures and statistical sampling in first-principles molecular dynamics: The prototypical case of glassy GeSe&lt;sub&gt;3&lt;/sub&gt; Evelyne Martin,Carlo Massobrio Journal of Non-Crystalline Solids, 2025, 653, pp.123415. ⟨10.1016/j.jnoncrysol.2025.123415⟩ Article dans une revue hal-04944159v2
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 Physical Chemistry Chemical Physics, 2025, ⟨10.1039/D5CP02084K⟩ Article dans une revue hal-05198298v1
Assessing the thermal conductivity of amorphous SiN by approach-to-equilibrium molecular dynamics Achille Lambrecht,Guido Ori,Carlo Massobrio,Mauro Boero,Évelyne Martin The Journal of Chemical Physics, 2024, 160 (9), pp.094505. ⟨10.1063/5.0193566⟩ Article dans une revue hal-04490310v1
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 Massobrioet al. Journal of Physics D: Applied Physics, 2024, 57, pp.235303. ⟨10.1088/1361-6463/ad316b⟩ Article dans une revue hal-04495079v2
Impact of the local atomic structure on the thermal conductivity of amorphous Ge2Sb2Te5 Mohammed Guerboub,Steve Dave Wansi Wendji,Carlo Massobrio,Assil Bouzid,Mauro Boeroet al. The Journal of Chemical Physics, 2023, 158, ⟨10.1063/5.0139590⟩ Article dans une revue hal-04014339v1
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 Guerboubet al. physica status solidi (b), 2023, ⟨10.1002/pssb.202300209⟩ Article dans une revue hal-04280276v1
Exciton diffusion in poly(3-hexylthiophene) by first-principles molecular dynamics Cheick Oumar Diarra,Mauro Boero,Emilie Steveler,Thomas Heiser,Évelyne Martin Physical Chemistry Chemical Physics, 2023, 25 (22), pp.15539-15546. ⟨10.1039/d3cp00533j⟩ Article dans une revue hal-04255894v1
Thermal conductivity of amorphous SiO2 by first-principles molecular dynamics Evelyne Martin,Guido Ori,Thuy-Quynh Duong,Carlo Massobrio,Mauro Boero Journal of Non-Crystalline Solids, 2022, 581, pp.121434. ⟨10.1016/j.jnoncrysol.2022.121434⟩ Article dans une revue hal-03560461v1
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 Oriet al. Molecules, 2022, 27 (24), ⟨10.3390/molecules27249034⟩ Article dans une revue hal-04014336v1
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 Computational Materials Science, 2022, 211, pp.111555. ⟨10.1016/J.COMMATSCI.2022.111555⟩ Article dans une revue hal-03688862v1
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 Boeroet al. RSC Advances, 2021, 11 (18), pp.10747-10752. ⟨10.1039/d0ra10408f⟩ Article dans une revue hal-03169059v1
Thermal resistance of an interfacial molecular layer by first-principles molecular dynamics Thuy-Quynh Duong,Carlo Massobrio,Guido Ori,Mauro Boero,Évelyne Martin The Journal of Chemical Physics, 2020, 153 (7), pp.074704. ⟨10.1063/5.0014232⟩ Article dans une revue hal-02990565v1
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 Computational Materials Science, 2020, 177, pp.109607. ⟨10.1016/j.commatsci.2020.109607⟩ Article dans une revue hal-02990579v1
Chalcogenide glasses for innovation in applied science: fundamental issues and new insights Carlo Massobrio,Assil Bouzid,Mauro Boero,Guido Ori,Évelyne Martinet al. Journal of Physics D: Applied Physics, 2020, 53 (3), pp.033002. ⟨10.1088/1361-6463/ab48a4⟩ Article dans une revue hal-02349413v1
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 Oriet al. Journal of Physical Chemistry B, 2020, 124 (49), pp.11273-11279. ⟨10.1021/acs.jpcb.0c08628⟩ Article dans une revue hal-03086320v1
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 Physical Review Materials, 2019, 3 (10), ⟨10.1103/PhysRevMaterials.3.105401⟩ Article dans une revue hal-02312816v1
Interface thermal behavior in nanomaterials by thermal grating relaxation Pier Luca Palla,Sonia Zampa,Évelyne Martin,Fabrizio Cleri International Journal of Heat and Mass Transfer, 2019, 131, pp.932-943. ⟨10.1016/j.ijheatmasstransfer.2018.11.064⟩ Article dans une revue hal-02128371v1
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 Rouxet al. Solid State Sciences, 2019, 95, pp.105925. ⟨10.1016/j.solidstatesciences.2019.06.014⟩ Article dans une revue hal-02349474v1
Sensitivity to Dispersion Forces in First-Principles Modeling of Disordered Chalcogenides Carlo Massobrio,Évelyne Martin,Ziyad Chaker,Mauro Boero,Assil Bouzidet al. Frontiers in Materials. Computational Materials Science section, 2018, 5, ⟨10.3389/fmats.2018.00078⟩ Article dans une revue hal-02312708v1
Thermal conductivity of deca-nanometric patterned Si membranes by multiscale simulations Hayat Zaoui,Pier Luca Palla,Stefano Giordano,Fabrizio Cleri,Maxime Verdieret al. International Journal of Heat and Mass Transfer, 2018, 126, pp.830-835. ⟨10.1016/j.ijheatmasstransfer.2018.06.004⟩ Article dans une revue hal-01826181v1
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 Boeroet al. Journal of Non-Crystalline Solids, 2018, 499, pp.167-172. ⟨10.1016/j.jnoncrysol.2018.07.012⟩ Article dans une revue hal-02312769v1
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 Oriet al. Journal of Non-Crystalline Solids, 2018, 498, pp.190-193. ⟨10.1016/j.jnoncrysol.2018.05.014⟩ Article dans une revue hal-02128447v1
Influence of amorphous layers on the thermal conductivity of phononic crystals Maxime Verdier,David Lacroix,Stanislav Didenko,J.F. Robillard,Évelyne Martinet al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 97 (11), pp.115435 - 115435. ⟨10.1103/PhysRevB.97.115435⟩ Article dans une revue hal-01754618v1
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 The Journal of Chemical Physics, 2017, 147 (4), pp.044504. ⟨10.1063/1.4986166⟩ Article dans une revue hal-02349387v1
Thermal conductivity of glassy GeTe4 by first-principles molecular dynamics Assil Bouzid,Hayat Zaoui,Pier Luca Palla,Guido Ori,Mauro Boeroet al. Physical Chemistry Chemical Physics, 2017, 19 (15), pp.9729-9732. ⟨10.1039/c7cp01063j⟩ Article dans une revue hal-02349381v1
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 Physical Review B, 2017, 95 (10), 104309, 7 p. ⟨10.1103/PhysRevB.95.104309⟩ Article dans une revue hal-03407494v1
Length dependence of thermal conductivity by approach-to-equilibrium molecular dynamics Hayat Zaoui,Pier Luca Palla,Fabrizio Cleri,Évelyne Martin Physical Review B, 2016, 94 (5), pp.054304. ⟨10.1103/PhysRevB.94.054304⟩ Article dans une revue hal-03408271v1
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 Martinet al. Journal of Applied Physics, 2007, 101 (12), pp.123506. ⟨10.1063/1.2743089⟩ Article dans une revue hal-00605238v1
Auger and Coulomb Charging Effects in Semiconductor Nanocrystallites Christophe Delerue,Michel Lannoo,Guy Allan,Évelyne Martin,Irina Mihalcescuet al. Physical Review Letters, 1995, 75 (11), pp.2228 - 2231. ⟨10.1103/PhysRevLett.75.2228⟩ Article dans une revue hal-01628592v1
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 Romestainet al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 1995, 51 (24), pp.17605 - 17613. ⟨10.1103/PhysRevB.51.17605⟩ Article dans une revue hal-01628598v1

Chapitre d'ouvrage (3)

Rapport de conjoncture 2024 Section 08 Micro- et nanotechnologies, micro- et nanosystèmes, photonique, électronique, électromagnétisme, énergie électrique Marie-Cécile Pera,Sébastien Cueff,Corinne Alonso,Jean-François Bryche,Jérôme Castellonet al. CNRS. Rapport de conjoncture, CNRS, pp.125-162, 2025 Chapitre d'ouvrage hal-05493567v1
Making Computer Materials Real: The Predictive Power of First-Principles Molecular Dynamics Carlo Massobrio,Mauro Boero,Sébastien Le Roux,Guido Ori,Assil Bouzidet al. Levchenko E.V., Dappe Y.J., Ori G. (Eds). Theory and Simulation in Physics for Materials Applications, 296 (chapitre 1), pp.3-21, 2020, ISBN 978-3-030-37789-2 ; e-ISBN 978-3-030-37790-8. ⟨10.1007/978-3-030-37790-8_1⟩ Chapitre d'ouvrage hal-02551137v1
Approach-to-equilibrium molecular dynamics Évelyne Martin,Pier Luca Palla,H. Zaoui,Fabrizio Cleri Termentzidis K. Nanostructured semiconductors: amorphization and thermal properties, Pan Stanford Publishing Pte. Ltd., Chapitre 8, 191-205, 2017, 9789814745659; 9789814745642. ⟨10.1201/9781315364452⟩ Chapitre d'ouvrage hal-03407456v1

Communication dans un congrès (5)

Atomic-scale simulation of thermal conduction by approach-to-equilibrium molecular dynamics Evelyne Martin Journées Nationales de Thermoélectricité 2024, 20-21 novembre 2024, Strasbourg, Nov 2024, Strasbourg, France Communication dans un congrès hal-05051739v1
The ICube Laboratory Strasbourg – research activities in nanomaterials and the nanosciences Frederic Antoni,Gerald Ferblantier,Sadiara Fall,Thomas Fix,Vincent Fricket al. Workshop de la Fédération de Recherche Matériaux et Nanosciences du Grand Est (FRMNGE) 2022, Troyes, France, 2022, Troyes, France Communication dans un congrès hal-04035524v1
Theoretical descriptions of porous silicon Christophe Delerue,Michel Lannoo,Guy Allan,Évelyne Martin E-MRS Strasbourg, 1994, Strasbourg, France Communication dans un congrès hal-03316848v1
Theory of the physical properties of Si nanocrystals Michel Lannoo,Christophe Delerue,Guy Allan,Évelyne Martin MRS Boston, 1994, Boston, United States Communication dans un congrès hal-03316852v1
Theory of silicon crystallites Christophe Delerue,Guy Allan,Évelyne Martin,Michel Lannoo Physics of the luminescence of porous silicon, 1994, Les Houches, France Communication dans un congrès hal-03316846v1

Poster de conférence (3)

Thermal conduction by approach-to-equilibrium molecular dynamics Evelyne Martin EMRS Fall meeting, Sep 2024, Varsovie, Poland. 2024 Poster de conférence hal-04946962v1
Thermal Conductivity of Amorphous Nanomaterials by Approach-to-Equilibrium Molecular Dynamics implemented in the framework of First-Principles Molecular Dynamics Evelyne Martin International Commission on Glasses (ICG), Berlin, Germany, juillet 2022, Jul 2022, Berlin, Germany. 2022 Poster de conférence hal-03797737v1
Thermal Conduction in Amorphous Nanomaterials by Atomic Scale Modelling Evelyne Martin 3rd International Congress on Advanced Materials Sciences and Engineering (AMSE-2022), July 21-25, 2022, Opatija, Croatia, Jul 2022, Opatija, Croatia. 2022 Poster de conférence hal-03797738v1