Dr. Pierre Hirel

English

Articles de recherche
Publiés dans des journaux internationaux à comité de lecture

  1. "Dislocations and plasticity of KTaO3 perovskite modeled with an interatomic potential"
    Pierre Hirel, Franck Junior Kakdeu Yewou, Jiawen Zhang, Wenjun Lu, Xufei Fang, Philippe Carrez
    Phys. Rev. Materials (accepted) | https://journals.aps.org/prmaterials/accepted/99072Z5eOed1c80d32225144454bafd3011ac0755

  2. "Grain Boundary Diffusion of Ferropericlase: Implications for the Core-Mantle Interaction"
    Yihang Peng, Pierre Hirel, Philippe Carrez, Jie Deng
    Geophys. Res. Lett. (accepted) |

  3. "All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides"
    Jean Furstoss, Carlos R. Salazar, Philippe Carrez, Pierre Hirel, Julien Lam
    Comput. Phys. Commun. 309 (2025) 109480 | doi: 10.1016/j.cpc.2024.109480

  4. "⟨110⟩{110} edge dislocations in strontium titanate: Charged vs neutral, glide vs climb"
    Pierre Hirel, Patrick Cordier, Philippe Carrez
    Acta Mater. 285 (2025) 120636 | doi: 10.1016/j.actamat.2024.120636

  5. "Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries"
    Houssam Kharouji, Lucile Dezerald, Pierre Hirel, Philippe Carrez, Patrick Cordier, Vincent Taupin, Julien Guénolé
    Int. J. Plast. 177 (2024) 103990 | doi: 10.1016/j.ijplas.2024.103990

  6. "Structures and energies of twist grain boundaries in Mg2SiO4 forsterite"
    Jean Furstoss, Pierre Hirel, Philippe Carrez, Karine Gouriet, Victoire Meko-Fotso, Patrick Cordier
    Comput. Mater. Science 233 (2024) 112768 | doi: 10.1016/j.commatsci.2023.112768

  7. "Pinning of domain walls by strontium layer in BaTiO3 perovskite: an atomic-scale study"
    Aris Dimou, Pierre Hirel, Anna Grünebohm
    Phys. Rev. B 106 (2022) 094104 | doi: 10.1103/PhysRevB.106.094104

  8. "Why do compact grain boundary complexions prevail in rock-salt materials?"
    Pierre Hirel, Philippe Carrez, Patrick Cordier
    Acta Mater. 240 (2022) 118297 | doi: 10.1016/j.actamat.2022.118297

  9. "Complexions and stoichiometry of the 60.8°//[100](011) symmetrical tilt grain boundary in Mg2SiO4 forsterite: a combined empirical potential and first-principles study"
    Jean Furstoss, Pierre Hirel, Philippe Carrez, Patrick Cordier
    Amer. Miner. 107 (2022) 2034-2043 | doi: 10.2138/am-2022-8420

  10. "A critical assessment of interatomic potentials for modelling lattice defects in forsterite Mg2SiO4 from 0 to 12 GPa"
    Pierre Hirel, Jean Furstoss, Philippe Carrez
    Phys. Chem. Miner. 48 (2021) 46 | doi: 10.1007/s00269-021-01170-6

  11. "Ferroelasticity in MgSiO3 bridgmanite: Assessing the intrinsic structure and motion of (110) twin walls with atomic-scale simulations"
    Pierre Hirel, Philippe Carrez, Patrick Cordier
    Scripta Mater. 188 (2020) 102-106 | doi: 10.1016/j.scriptamat.2020.07.016

  12. "Atomic-scale properties of jogs along ½<110>{110} edge dislocations in MgO"
    Jian-Hui Zhai, Pierre Hirel, Philippe Carrez
    Scripta Mater. 181 (2020) 66-69 | doi: 10.1016/j.scriptamat.2020.02.013

  13. "Systematic theoretical study of [001] symmetric tilt grain boundaries in MgO from 0 to 120 GPa"
    Pierre Hirel, Gabriel Frank Bouobda Moladje, Philippe Carrez, Patrick Cordier
    Phys. Chem. Minerals 46 (2019) 37-49 | doi: 10.1007/s00269-018-0985-7

  14. "On low-temperature glide of dissociated <110> dislocations in strontium titanate"
    Sebastian Ritterbex, Pierre Hirel, Philippe Carrez
    Philos. Mag. 98 (2018) 1397-1411 | doi: 10.1080/14786435.2018.1438682

  15. "Pure climb creep mechanism drives flow in the Earth’s lower mantle"
    Francesca Boioli, Philippe Carrez, Patrick Cordier, Benoît Devincre, Karine Gouriet, Pierre Hirel, Antoine Kraych, Sebastian Ritterbex
    Science Advances 3 (2017) e1601958 | doi: 10.1126/sciadv.1601958

  16. "From glissile to sessile: effect of temperature on <110> dislocations in perovskite materials"
    Pierre Hirel, Philippe Carrez, Patrick Cordier
    Scripta Mater. 120 (2016) 67-70 | doi: 10.1016/j.scriptamat.2016.04.001

  17. "Effects of sublattice symmetry and frustration on ionic transport in garnet solid electrolytes"
    Boris Kozinsky, Sneha A. Akhade, Pierre Hirel, Adham Hashibon, Christian Elsässer, Prateek Mehta, Alan Logéat, Ulrich Eisele
    Editors' Suggestion Phys. Rev. Lett. 116 (2016) 055901 | doi: 10.1103/PhysRevLett.116.055901

  18. "The electric charge and climb of edge dislocations in perovskite oxides: the case of high-pressure MgSiO3 bridgmanite"
    Pierre Hirel, Philippe Carrez, Emmanuel Clouet, Patrick Cordier
    Acta Mater. 106 (2016) 313-321 | doi: 10.1016/j.actamat.2016.01.019

  19. "Peierls potential and kink-pair mechanism in high-pressure MgSiO3 perovskite: an atomic scale study"
    Antoine Kraych, Philippe Carrez, Pierre Hirel, Emmanuel Clouet, Patrick Cordier
    Phys. Rev. B 93 (2016) 014103 | doi: 10.1103/PhysRevB.93.014103

  20. "Theoretical and experimental study of the core structure and mobility of dislocations and their influence on the ferroelectric polarization in perovskite KNbO3"
    Pierre Hirel, Alison F. Mark, Miguel Castillo-Rodriguez, Wilfried Sigle, Matous Mrovec, Christian Elsässer
    Editors' SuggestionPhys. Rev. B 92 (2015) 214101 | doi: 10.1103/PhysRevB.92.214101

  21. "Atomsk: a tool for converting and manipulating atomic data files"
    Pierre Hirel
    Comput. Phys. Comm. 197 (2015) 212-219 | doi: 10.1016/j.cpc.2015.07.012

  22. "Fe-Mg interdiffusion profiles in rimed forsterite grains in the Allende matrix: time-temperature constraints for the parent body metamorphism"
    Priscille Cuvillier, Hugues Leroux, Damien Jacob, Pierre Hirel
    Meteorit. Planet. Sci. 50 (2015) 1529-1545 | doi: 10.1111/maps.12493

  23. "Atomic core structure and mobility of [100](010) and [010](100) dislocations in MgSiO3 perovskite"
    Pierre Hirel, Antoine Kraych, Philippe Carrez, Patrick Cordier
    Acta Mater. 79 (2014) 117-125 | doi: 10.1016/j.actamat.2014.07.001

  24. "Atomistic simulation study of <110> dislocations in strontium titanate"
    Pierre Hirel, Matous Mrovec, Christian Elsässer
    Acta Mater. 60 (2012) 329-338 | doi: 10.1016/j.actamat.2011.09.049

  25. "Theoretical study of {110} generalized stacking faults and their influence on dislocation properties in perovskite oxides"
    Pierre Hirel, Pavel Marton, Matous Mrovec, Christian Elsässer
    Acta Mater. 58 (2010) 6072-6079 | doi: 10.1016/j.actamat.2010.07.025

  26. "Elastic limit for surface step dislocation nucleation in face-centered cubic metals: temperature and step height dependence"
    Sandrine Brochard, Pierre Hirel, Laurent Pizzagalli, Julien Godet
    Acta Mater. 58 (2010) 4182-4190 | doi: 10.1016/j.actamat.2010.04.009

  27. "Dislocation nucleation from surface step in silicon: The glide set versus the shuffle set"
    Julien Godet, Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli
    Phys. Status Solidi A 206 (2009) 1885-1891 | doi: 10.1002/pssa.200881460

  28. "Evidence of two plastic regimes controlled by dislocation nucleation in silicon nanostructures"
    Julien Godet, Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli
    J. Appl. Phys. 105 (2009) 026104 | doi: 10.1063/1.3072707

  29. "Determination of activation parameters for dislocation formation from a surface in fcc metals by atomistic simulations"
    Pierre Hirel, Julien Godet, Sandrine Brochard, Laurent Pizzagalli, Pierre Beauchamp
    Phys. Rev. B 78 (2008) 064109 | doi: 10.1103/PhysRevB.78.064109

  30. "Effects of temperature and surface step on the incipient plasticity in strained aluminium by atomistic simulations"
    Pierre Hirel, Sandrine Brochard, Laurent Pizzagalli, Pierre Beauchamp
    Scripta Mater. 57 (2007) 1141-1144 | doi: 10.1016/j.scriptamat.2007.08.016

Copyright © Pierre Hirel 2009-2025