Back to main page
Complete list of publications
List of publications limited to point defects or precipitation kinetics

Plasticity in metals and oxides: list of publications

Contributions to books and overview articles

• Ab initio models of dislocations
  Emmanuel Clouet
  In W. Andreoni et S. Yip (Eds.), Handbook of Materials Modeling, in press (2018).
  (preprint, journal, pdf)
  

• Ab initio modeling of dislocation core properties in metals and semiconductors
  David Rodney, Lisa Ventelon, Emmanuel Clouet, Laurent Pizzagalli and François Willaime
  Acta Mater. 124 (2017), pp. 633-659.
  (journal, pdf)
  Typos in published version
  • Eq. 3: wrong sign in the sum of the numerator which should read "b_k A_l + b_l A_k"

Articles in peer-reviewed journals

• Interaction of C, N and O interstitial solute atoms with screw dislocations in HfNbTaTiZr high entropy alloy
  Thomas Leveau, Lisa Ventelon, and Emmanuel Clouet
  Acta Mater. 275, 120062 (2024)
  (journal, pdf)
  

• Atomistically informed dislocation dynamics simulations: application to dislocation-loop interactions in zirconium
  Laurent M. Dupuy, Wassim Kassem, Emmanuel Clouet, and Fabien Onimus
  Modelling Simul. Mater. Sci. Eng. 32, 035015 (2024)
  (journal, pdf)
  

• Interplay between magnetic excitations and plasticity in body-centered cubic chromium
  Baptiste Bienvenu, Chu Chun Fu, and Emmanuel Clouet
  Phys. Rev. B 107, 134105 (2023)
  (journal, pdf)
  

• Mobility of carbon-decorated screw dislocations in bcc iron
  Lisa Ventelon, Daniel Caillard, Bérengère Lüthi, Emmanuel Clouet, David Rodney, and François Willaime
  Acta Mater. 247, 118716 (2023)
  (journal, pdf)
  

• Competition between prismatic and basal slip in hexagonal titanium–aluminum alloys with short-range order
  Piotr Kwasniak, Stéphanie Delannoy, Frédéric Prima, and Emmanuel Clouet
  Mater. Res. Lett. 11, 407-413 (2023)
  (journal, pdf)
  

• Numerical investigation of climb under stress and irradiation
  D. Da Fonseca, F. Onimus, F. Mompiou, M.-C. Marinica, E. de Sonis, E. Clouet, T. Jourdan
  Acta Mater. 242, 118431 (2023)
  (journal, pdf)
  

• Anomalous slip in body-centred cubic metals
  Daniel Caillard, Baptiste Bienvenu, and Emmanuel Clouet
  Nature 609, 936 (2022)
  (journal, pdf)
  Supplementary data: discussion and videos for figures 1, 2, 4, ED1, ED2, ED3ab, ED3de, and ED3gh.
  CNRS communication: CNRS news

• Ab initio informed yield criterion across body-centered cubic transition metals
  Baptiste Bienvenu, Lucile Dezerald, David Rodney, and Emmanuel Clouet
  Acta Mater. 236, 118098 (2022)
  (journal, pdf)
  Supplementary data: Tension/compression asymmetry in Cr, V, and Fe
  

• Ab initio investigation of the screw dislocation-hydrogen interaction in bcc tungsten and iron
  Pedro P.P.O Borges, Emmanuel Clouet, and Lisa Ventelon
  Acta Mater. 234, 118048 (2022)
  (journal, pdf)
  

• Ab initio modeling of slip activity in body-centered cubic chromium
  Baptiste Bienvenu and Emmanuel Clouet
  Acta Mater. 224, 117485 (2022)
  (journal, pdf)
  Supplementary data: Yield stress and slip activity in the AF phase
  

• Secondary slip of screw dislocations in zirconium
  Émile Maras and Emmanuel Clouet
  Acta Mater. 223, 117398 (2022)
  (preprint, journal, pdf)
  

• Mobility of screw dislocation in BCC tungsten at high temperature in presence of carbon
  Guillaume Hachet, Daniel Caillard, Lisa Ventelon and Emmanuel Clouet
  Acta Mater. 222, 117440 (2022)
  (preprint, journal, pdf)
  Supplemental videos for figures 3 and 4
  

• Screw dislocations in BCC transition metals: from ab initio modeling to yield criterion
  Emmanuel Clouet, Baptiste Bienvenu, Lucile Dezerald, and David Rodney
  C. R. Phys. 22 S3 (2021)
  (preprint, journal, pdf)
  

• Impact of magnetism on screw dislocations in body-centered cubic chromium
  Baptiste Bienvenu, Chu Chun Fu and Emmanuel Clouet
  Acta Mater. 200 (2020), pp. 570-580
  (preprint, journal, pdf)
  

• Screw dislocation-carbon interaction in BCC tungsten: an ab initio study
  Guillaume Hachet, Lisa Ventelon, François Willaime and Emmanuel Clouet
  Acta Mater. 200 (2020), pp. 481-489
  (preprint, journal, pdf)
  

• Mobility of ⟨c+a⟩ dislocations in zirconium
  Thomas Soyez, Daniel Caillard, Fabien Onimus and Emmanuel Clouet
  Acta Mater. 197 (2020), pp. 97-107
  (preprint, journal, pdf)
  Supplemental videos for figures 3, 6, 7, 8, 9, 10, 13
  

• Non-glide effects and dislocation core fields in BCC metals
  Antoine Kraych, Emmanuel Clouet, Lucile Dezerald, Lisa Ventelon, François Willaime and David Rodney
  npj Computational Materials 5 (2019), 109
  (journal, pdf)
  

• Influence of simple metals on the stability of ⟨a⟩ basal screw dislocations in hexagonal titanium alloys
  Piotr Kwasniak and Emmanuel Clouet
  Acta Mater. 180 (2019), pp. 42-50
  (preprint, journal, pdf)
  

• Basal slip of ⟨a⟩ screw dislocations in hexagonal titanium
  Piotr Kwasniak and Emmanuel Clouet
  Scripta Mater. 162 (2019), pp. 296-299
  (preprint, journal, pdf)
  

• Oxygen - dislocation interaction in titanium from first principles
  Nermine Chaari, David Rodney and Emmanuel Clouet
  Scripta Mater. 162 (2019), pp. 200-203
  (preprint, journal, pdf)
  

• Atomistically-informed thermal glide model for edge dislocations in uranium dioxide
  Aurélien Soulié, Jean-Paul Crocombette, Antoine Kraych, Frédérico Garrido, Gaël Sattonnay, Emmanuel Clouet
  Acta Mater. 150 (2018), pp. 248-261
  (journal, pdf)
  

• Oxygen - dislocation interaction in zirconium from first principles
  Nermine Chaari, David Rodney and Emmanuel Clouet
  Acta Mater. 132 (2017), pp. 416-424
  (preprint, journal, pdf)
  

• Atomic-scale modeling of twinning disconnections in zirconium
  Olivier Mackain, Maeva Cottura, David Rodney and Emmanuel Clouet
  Phys. Rev. B 95 (2017), 134102
  (preprint, journal, pdf)

• Plastic anisotropy and dislocation trajectory in BCC metals
  Lucile Dezerald, David Rodney, Emmanuel Clouet, Lisa Ventelon and François Willaime
  Nature Commun. 7 (2016), 11695
  (journal, pdf)
  About this article:
• CEA news

• Onset of plasticity in zirconium in relation with hydrides precipitation
  Wojciech Szewc, Laurent Pizzagalli, Sandrine Brochard and Emmanuel Clouet
  Acta Mater. 114 (2016), pp. 126–135.
  (journal, pdf)

• 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), pp. 313-321.
  (journal, pdf)

• 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.
  (journal, pdf)

• Dislocation locking versus easy glide in titanium and zirconium
  Emmanuel Clouet, Daniel Caillard, Nermine Chaari, Fabien Onimus, David Rodney
  Nature Mater. 14 (2015), pp. 931-936.
  (journal, pdf)
  About this article:
• News & Views by Andrew Minor (Univ. of California, Berkeley) in Nature Mater. 14 (2015), pp. 866-867 (pdf).
• CEA and CNRS press release (in French)
• Genci and Prace news
• Download atomic structures for the different dislocation configurations: Ti and Zr 6x8 quadrupole supercells

• Dislocation core reconstruction induced by carbon segregation in bcc iron
  Lisa Ventelon, Bérengère Lüthi, Emmanuel Clouet, Laurent Proville, Bernard Legrand, David Rodney, and François Willaime
  Phys. Rev. B 91 (2015), 220102(R).
  (journal, pdf)

• First order pyramidal slip of 1/3 <1-210> screw dislocations in zirconium
  Nermine Chaari, Emmanuel Clouet and David Rodney
  Metall. Mater. Trans. A 45 (2014), pp. 5898-5905.
  (preprint, journal, pdf)

• First-principles study of secondary slip in zirconium
  Nermine Chaari, Emmanuel Clouet and David Rodney
  Phys. Rev. Lett. 112 (2014), 075504.
  (preprint, journal, pdf)
  Supplemental material:
• Movies showing the successive differential displacement maps for a screw dislocation cross-slipping in a pyramidal or a basal plane.

• Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
  Lucile Dezerald, Lisa Ventelon, Emmanuel Clouet, Christophe Denoual, David Rodney and François Willaime
  Phys. Rev. B 89 (2014), 024104
  (journal, pdf)
  

• Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W
  Lisa Ventelon, François Willaime, Emmanuel Clouet and David Rodney
  Acta Mater. 61 (2013), pp. 3973-3985
  (journal, pdf)

• Screw dislocation in zirconium: An ab initio study
  Emmanuel Clouet
  Phys. Rev. B 86 (2012), 144104
  (preprint, journal, pdf)

• Dislocation core field. I. Modeling in anisotropic linear elasticity theory
  Emmanuel Clouet
  Phys. Rev. B 84 (2011), 224111
  (preprint, journal, pdf)

• Dislocation core field. II. Screw dislocation in iron
  Emmanuel Clouet, Lisa Ventelon and François Willaime
  Phys. Rev. B 84 (2011), 224107
  (preprint, journal, pdf)

• Predicting dislocation climb: Classical modeling versus atomistic simulations
  Emmanuel Clouet
  Phys. Rev. B 84 (2011), 092106
  (preprint, journal, pdf)

• Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in alpha-iron
  Roberto G. A. Veiga, Michel Pérez, Charlotte S. Becquart, Emmanuel Clouet and Christophe Domain
  Acta Mater. 59 (2011), pp. 6963-6974.
  (journal, pdf)

• Dislocation dynamics simulations with climb: kinetics of dislocation loop coarsening controlled by bulk diffusion
  Botond Bakó, Emmanuel Clouet, Laurent Dupuy and Marc Blétry
  Philos. Mag. 91 (2011), pp. 3173-3191.
  (preprint, journal, pdf)

• Elastic energy of a straight dislocation and contribution from core tractions
  Emmanuel Clouet
  Philos. Mag. 89 (2009), pp. 1565-1584.
  (preprint, journal, pdf)

• Dislocation core energies and core fields from first principle
  Emmanuel Clouet, Lisa Ventelon and François Willaime
  Phys. Rev. Lett. 102 (2009), 055502.
  (preprint, journal, pdf)

• Dislocation Interaction with C in alpha-Fe: a Comparison between Atomic Simulations and Elasticity Theory
  Emmanuel Clouet, Sébastien Garruchet, Hoang Nguyen, Michel Perez and Charlotte S. Becquart
  Acta Mater. 56 (2008), pp. 3450-3460.
  (preprint, journal, pdf)

• Introducing Dislocation Climb by Bulk Diffusion in Discrete Dislocation Dynamics
  Dan Mordehai, Emmanuel Clouet, Marc Fivel and Marc Verdier
  Philos. Mag. 88 (2008), 899.
  (journal, pdf)

• The Vacancy - Edge Dislocation Interaction in FCC Metals: a Comparison between Atomic Simulations and Elasticity Theory
  Emmanuel Clouet
  Acta Mater. 54 (2006), pp. 3543-3552.
  (preprint, journal, pdf)
  Typos in published version (see correction on arxiv):
  • Fig. 3d is for Au (duplicate of Fig. 3b)
  • Paragraph in the left column on p.3547 sould start with "Below the glide plane..." and not "Above..."

Articles in conference proceedings

• Annealing of Dislocation Loops in Dislocation Dynamics Simulations
  Dan Mordehai, Emmanuel Clouet, Marc Fivel and Marc Verdier
  IOP Conf. Series: Mater. Sci. Eng. 3 (2009), 012001.
  (journal, pdf)

Accreditation thesis

• Étude par simulations numériques de la plasticité dans les métaux
  HDR, Université Lille 1 (2013).
  (full text in French, pdf)

Back to main page
Complete list of publications
List of publications limited to point defects or precipitation kinetics