UMET - Liste des publications de Pierre HIREL

Publications in international research journals

• 2024
  25. J. Furstoss, P. Hirel, P. Carrez, K. Gouriet, V. Meko-Fotso, P. Cordier, Structures and energies of twist grain boundaries in Mg2SiO4 forsterite, Computational Materials Science 233, 112768 (2024), [doi: 10.1016/j.commatsci.2023.112768, LillOA]
• 2022
  24. A. Dimou, P. Hirel, A. Grünebohm, Pinning of domain walls by strontium layer in the BaTiO3 perovskite: An atomic-scale study, Physical Review B 106;9, 094104 (2022), [doi: 10.1103/physrevb.106.094104, LillOA]
  23. P. Hirel, P. Carrez, P. Cordier, Why do compact grain boundary complexions prevail in rock-salt materials?, Acta Materialia 118297 (2022), [doi: 10.1016/j.actamat.2022.118297, LillOA]
  22. J. Furstoss, P. Hirel, P. Carrez, P. Cordier, Complexions and stoichiometry of the 60.8°//[100](011) symmetrical tilt grain boundary in Mg2SiO4 forsterite: a combined empirical potential and first-principles study, American Mineralogist (2022), [doi: 10.2138/am-2022-8420, LillOA]
• 2021
  21. P. Hirel, J. Furstoss, P. Carrez, A critical assessment of interatomic potentials for modelling lattice defects in forsterite Mg2SiO4 from 0 to 12 GPa, Physics and chemistry of minerals 48;12, (2021), [doi: 10.1007/s00269-021-01170-6, LillOA]
• 2020
  20. P. Hirel, P. Carrez, P. Cordier, Ferroelasticity in MgSiO3 bridgmanite: Assessing the intrinsic structure and motion of (-110) twin walls with atomic-scale simulations, Scripta Materialia 188, 102-106 (2020), [doi: 10.1016/j.scriptamat.2020.07.016, LillOA]
  19. J.-H. Zhai, P. Hirel, P. Carrez, Atomic-scale properties of jogs along 1/2〈110〉{1¯10} edge dislocations in MgO, Scripta Materialia 181, 66-69 (2020), [doi: 10.1016/j.scriptamat.2020.02.013, LillOA]
• 2018
  18. S. Ritterbex, P. Hirel, P. Carrez, On low temperature glide of dissociated 〈1 1 0〉 dislocations in strontium titanate, Philosophical Magazine 98, 1397-1411 (2018), [doi: 10.1080/14786435.2018.1438682, LillOA]
  17. P. Hirel, G.F.B. Moladje, P. Carrez, P. Cordier, Systematic theoretical study of [001] symmetric tilt grain boundaries in MgO from 0 to 120 GPa, Physics and chemistry of minerals 46;1, 37-49 (2018), [doi: 10.1007/s00269-018-0985-7, LillOA]
• 2017
  16. F. Boioli, P. Carrez, P. Cordier, B. Devincre, K. Gouriet, P. Hirel, A. Kraych, S. Ritterbex, Pure climb creep mechanism drives flow in Earth's lower mantle, Science Advances 3, e1601958 (2017), [doi: 10.1126/sciadv.1601958, LillOA]
• 2016
  15. P. Hirel, P. Carrez, P. Cordier, From glissile to sessile: Effect of temperature on <110> dislocations in perovskite materials, Scripta Materialia 120, 67-70 (2016), [doi: 10.1016/j.scriptamat.2016.04.001, LillOA]
  14. B. Kozinsky, S.A. Akhade, P. Hirel, A. Hashibon, C. Elsässer, P. Mehta, A. Logeat, U. Eisele, Effects of Sublattice Symmetry and Frustration on Ionic Transport in Garnet Solid Electrolytes, Physical Review Letters 116, (2016), [doi: 10.1103/PhysRevLett.116.055901, LillOA]
  13. A. Kraych, P. Carrez, P. Hirel, E. Clouet, P. Cordier, Peierls potential and kink-pair mechanism in high-pressure MgSiO3 perovskite: an atomic scale study, Physical Review B 93, 14103 (2016), [doi: 10.1103/PhysRevB.93.014103, LillOA]
  12. P. Hirel, P. Carrez, E. Clouet, P. Cordier, The electric charge and climb of edge dislocations in perovskite oxides: The case of high-pressure MgSiO3 bridgmanite, Acta Materialia 106, 313-321 (2016), [doi: 10.1016/j.actamat.2016.01.019, LillOA]
• 2015
  11. P. Cuvillier, H. Leroux, D. Jacob, P. Hirel, Fe-Mg interdiffusion profiles in rimmed forsterite grains in the Allende matrix: Time-temperature constraints for the parent body metamorphism, Meteoritics and Planetary Science 50, 1529-1545 (2015), [doi: 10.1111/maps.12493, LillOA]
  10. P. Hirel, A.F. Mark, M. Castillo-Rodriguez, W. Sigle, M. Mrovec, C. Elsässer, Theoretical and experimental study of the core structure and mobility of dislocations and their influence on the ferroelectric polarization in perovskite KNbO3, Physical Review B 92, (2015), [doi: 10.1103/PhysRevB.92.214101, LillOA]
  9. P. Hirel, Atomsk: A tool for manipulating and converting atomic data files, Computer Physics Communications 197, 212-219 (2015), [doi: 10.1016/j.cpc.2015.07.012, LillOA]
• 2014
  8. P. Hirel, A. Kraych, P. Carrez, P. Cordier, Atomic core structure and mobility of [100](010) and [010](100) dislocations in MgSiO3 perovskite, Acta Materialia 79, 117-125 (2014), [doi: 10.1016/j.actamat.2014.07.001, LillOA]
• 2012
  7. P. Hirel, M. Mrovec, C. Elsässer, Atomistic simulation study of 〈1 1 0〉 dislocations in strontium titanate, Acta Materialia 60, 329-338 (2012), [doi: 10.1016/j.actamat.2011.09.049, LillOA]
• 2010
  6. P. Hirel, P. Marton, M. Mrovec, C. Elsässer, Theoretical investigation of {110} generalized stacking faults and their relation to dislocation behavior in perovskite oxides, Acta Materialia 58, 6072-6079 (2010), [doi: 10.1016/j.actamat.2010.07.025, LillOA]
  5. S. Brochard, P. Hirel, L. Pizzagalli, J. Godet, Elastic limit for surface step dislocation nucleation in face-centered cubic metals: Temperature and step height dependence, Acta Materialia 58, 4182-4190 (2010), [doi: 10.1016/j.actamat.2010.04.009, LillOA]
• 2009
  4. J. Godet, P. Hirel, S. Brochard, L. Pizzagalli, Dislocation nucleation from surface step in silicon: The glide set versus the shuffle set, physica status solidi (a) 206;8, 1885-1891 (2009), [doi: 10.1002/pssa.200881460, LillOA]
  3. J. Godet, P. Hirel, S. Brochard, L. Pizzagalli, Evidence of two plastic regimes controlled by dislocation nucleation in silicon nanostructures, Journal of Applied Physics 105;2, 026104 (2009), [doi: 10.1063/1.3072707, LillOA]
• 2008
  2. P. Hirel, J. Godet, S. Brochard, L. Pizzagalli, P. Beauchamp, Determination of activation parameters for dislocation formation from a surface in fcc metals by atomistic simulations, Physical Review B 78;6, (2008), [doi: 10.1103/physrevb.78.064109, LillOA]
• 2007
  1. P. Hirel, S. Brochard, L. Pizzagalli, P. Beauchamp, Effects of temperature and surface step on the incipient plasticity in strained aluminium studied by atomistic simulations, Scripta Materialia 57;12, 1141-1144 (2007), [doi: 10.1016/j.scriptamat.2007.08.016, LillOA]