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Communications

Upcoming communication events

  • Euromech colloquium 653 on Mechanics of interfaces, Metz (France), August 26-28, 2025.
    • Invited talk: Dislocation density fields for bridging length scales in interface-dominated nanomechanics. Presenter: J. Guénolé.
  • FEMS Euromat 2025, Grenada (Spain), September 14-18, 2025.
    • Highlighted talk: Interfaces as dislocation density fields for bridging length scales in nanomechanics. Presenter: J. Guénolé.
  • ICSMA 20, Kyoto (Japan), June 2-6, 2025.
    • Talk: Understanding dislocation - grain boundary interactions by quasi in-situ nanoindentation and electron channeling imaging at the example of a tensile twin boundary in MgY. Presenter: F.Z. Mouhib.

Last communication events

  • 19th Journées de la Matière Condensée (JMC), Marseille (France), October 28-31, 2024.
    • Talk: Understanding dislocation - grain boundary interactions by quasi in-situ nanoindentation and electron channeling imaging at the example of a tensile twin boundary in MgY. Presenter: F.Z. Mouhib.
    • Talk: Basal grain boundaries in HCP materials (Ti, Mg): atomistically informed characterization by the Nye dislocation density tensor. Presenter: Y.F. Woguem.
  • 11th Multiscale Materials Modeling (MMM) international conference, Prague (Czech Republic), September 22-27, 2024.
    • Talk: Exploring the potential of dislocation density fields for bridging length scales in nanomechanics. Presenter: J. Guénolé.
    • Talk: Bridging Atomistic and Continuum Mechanics for describing Crystal Defects and Grain Boundary Excess Energy. Presenter: H. Kharouji.
    • Talk: Multiscale modeling of the solute atom segregation towards grain boundaries. Presenter: J. Petrazoller.
  • 8th International Conference on Material Modelling (ICMM8), London (UK), July 15-17, 2024.
    • talk: Micromechanical modelling and atomistic simulations of the solute atom segregation towards grain boundaries. Presenter: J. Petrazoller.
  • MecaNano 2nd General Meeting 2024 (COST action CA21121), Vienna (Austria), May 1-3, 2024.
    • Poster: Exploring the potential of dislocation density fields for the discrete-to-continuum crossover in nanomechanics. Presenter:  J. Guénolé
  • Colloque Plasticité 2024, Marseille (France), April 2-4, 2024.
    • Talk: On the origin of plasticity at twist basal grain boundaries in Ti-Al alloy. Presenter: D. Iabbaden.
    • Talk: Modélisations micromécaniques et simulations atomistiques de la ségrégation des atomes de soluté aux joints de grains. Presenter: J. Petrazoller.
    • Poster: Atomistic-to-Continuum Crossover for Crystal Defects Descriptions and Grain Boundary Excess Energy. Presenter: H. Kharouji.
    • Poster: Characterization of basal twist grain boundaries in HCP materials using atomistic simulations and 3D Nye dislocation density tensor. Presenter: Y.F. Woguem.

Invited seminars & conferences

  1. TimeMan Virtual Seminar (List of all invited speakers)
    Online, March 24, 2022 [related news] [video]
    Atomistic Aspects of the Plasticity in Complex Intermetallics.
  2. First workshop of the GE@2M>, Research federation "Grand Est Mécanique des Matériaux"
    Remote (Metz, France), December 13, 2021.
    Impact of Crystal Defects on Mechanical Properties: Contribution of Atomistic Modelling.
  3. Doctoral Seminary, SFB1394
    Remote (Aachen, Germany), December 9, 2021
    Large-scale atomistic simulations: An overview of the scientific, computational and societal aspects.
  4. Invited Lecture, Beijing Jiaotong University
    Remote due to COVID-19 (China), June 25, 2021 <hal-03388532>
    Contributions of atomistic simulations to the understanding of the formation and evolution of defects in crystalline materials.
  5. Institute of Materials Simulation (WW8), Friedrich-Alexander University Erlangen-Nurenberg
    Fürth (Germany), February 18, 2020 [link]
    On the numerical atomistic characterization of interfacial plasticity.
  6. Conséquence et mitigation des défauts introduit par FIB : un point de vue atomistique.
    63ièmes journées du Groupe des Utilisateurs de Microscopie électronique Philips-FEI (GUMP)
    Centre de Sciences Nucléaires et de Sciences de la Matière (CSNSM), Orsay (France), June 13, 2019
  7. Improved Understanding of Plasticity Mechanisms in Metals and Ceramics in Light of Atomic Scale Simulations Results.
    Institute of Materials Simulation (WW8), Friedrich-Alexander University Erlangen-Nurenberg
    Fürth (Germany), December 6, 2017 [related news]
  8. Modelling and Understanding the Elementary Mechanisms of Plasticity: Strengths and Weaknesses of Atomistic Simulations.
    Institute Jean Lamour (IJL) and LEM3
    Nancy and Metz (France), September 27 and 29, 2017 [related news]
  9. Improved Understanding of Plasticity Mechanisms in Metals and Ceramics in Light of Atomic Scale Simulations Results.
    Institut für Metallkunde und Metallphysik (IMM), RWTH Aachen
    Aachen (Germany), September 18, 2017
  10. Towards Multiscale Modeling and Understanding of the Life of Defects in Crystals.
    Unité Matériaux et Transformation (UMET), University of Lille 1
    Lille (France), April 28, 2017
  11. Contribution of Atomistic Simulations towards Multiscale Modeling and Understanding of the Life of Defects in Crystalline Materials.
    Process and Engineering in Mechanics and Materials laboratory (PIMM)
    Paris (France), November 19, 2015 [related news]
  12. From atoms to dislocations and back: examples for information passing accoss the scales.
    International Workshop on Trends and Challenges in Dynamics Simulations
    Saclay (France), December 10, 2014

Conferences & seminars as speaker

  1. 11th Multiscale Materials Modeling (MMM) international conference, Prague (Czech Republic), September 22-27, 2024.
    Exploring the potential of dislocation density fields for bridging length scales in nanomechanics
    J. Guénolé
  2. COMPLAS 2023 , Barcelona (Spain), September 5-7, 2023.
    Propagation of zonal dislocations: the case of the synchroshear mechanism in Laves phases.     J. Guénolé, Z. Xie.
  3. MecaNano 1st General Meeting 2023 (COST action CA21121), Madrid (Spain), April 26-27, 2023.
    Propagation of zonal dislocations: the case of the synchroshear mechanism in Laves phases.     J. Guénolé, Z. Xie.
  4. 19th International Conference on Strength of Materials (ICSMA), Metz (France), June 26 - July 1, 2022
    On the numerical atomistic characterization of interfacial plasticity: the case of complex lightweight intermetallics.     J. Guénolé, V. Taupin, A. Guitton, Z. Xie, S. Korte-Kerzel.
  5. 1st Colloquium on Theoretical and Experimental Micro-Mechanics, Metz (France), 18-19 Nov. 2019 [news]
    Slip across complex interfaces: the case of Mg based Laves phases    . J. Guénolé, M. Zubair, S. Roy, F.-Z. Mouhib, S. Korte-Kerzel.
  6. Evidences of matrix slip across complex precipitate interfaces
    J. Guénolé, M. Zubair, S. Roy, F.-Z. Mouhib, S. Korte-Kerzel
    Intergranular and Interphase Boundaries in Materials (IIB), Paris (France), 1-5 July 2019.
  7. Basal slip in Laves phases: the synchroshear dislocation
    J. Guénolé, F.-Z. Mouhib, L. Huber, B. Grabowski, S. Korte-Kerzel
    Colloque Plasticité 2019, Lille (France), 15-17 April 2019
  8. Atomic scale investigation of plasticity in Laves phases
    F.Z. Mouhib, J. Guénolé, C. Zehnder, J. Gibson, B. Grabowski and S. Korte-Kerzel
    9th Multiscale Materials Modeling (MMM) international conference, Osaka (Japan), 28 Oct. - 2 Nov. 2018
  9. Irradiation induced amorphization and related intrinsic stress in silicon
    J. Guénolé, A. Prakash and E. Bitzek
    24th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM), Donostia-San Sebastian (Spain), 18-23 June 2017
  10. Stress and strain fields induced during focused ion beam machining : a multiscale simulation study
    J. Guénolé, E. Salvati, A. Prakash, A. M Korsunsky and E. Bitzek
    General Meeting on the GDRi CNRS MECANO, Toulouse (France), 10-12 May 2017
  11. On the interplay between stress and FIB irradiation damage in strained materials
    J. Guénolé, J. Godet, E. Salvati, A. Prakash, A. M Korsunsky and E. Bitzek
    Colloque Plasticité 2017, Rennes (France), 10-12 April 2017
  12. Atomistic simulations of irradiation induced damage and eigenstrain
    J. Guénolé and E. Bitzek
    Internal meeting of the iStress EU project, Rome (Italy), 6-7 December 2016
  13. From atomistic simulations towards a mesoscale representation of the absorption of dislocations in grain boundaries
    J Guénolé, A Prakash, S Sandfeld, K E Aifantis and E Bitzek
    8th Multiscale Materials Modeling (MMM) international conference, Dijon (France), 9-14 October 2016
  14. Towards an experimentally informed multiscale model of FIB-induced irradiation damage
    J Guénolé, D Courty, E Salvati, T Sui, R Spolenak, A M Korsunsky and E Bitzek
    8th Multiscale Materials Modeling (MMM) international conference, Dijon (France), 9-14 October 2016
  15. Atomistic simulations of focused ion beam machining and resulting irradiation damage induced eigenstrains in metals and ceramics.
    J. Guénolé and E. Bitzek
    The 30th International Conference on Surface Modification Technologies (SMT30), Milano (Italy), 29-1 July 2016
  16. Atomistic simulations of irradiation induced damage in pre-strained materials.
    J. Guénolé and E. Bitzek
    Internal meeting of the iStress EU project, Brescia (Italy), 27-28 June 2016
  17. Irradiation damage induced eigenstrains in metals and ceramics: an atomistic simulations of focussed ion beam machining.
    J. Guénolé, A. Prakash and E. Bitzek
    Computer Simulation of Radiation Effects in Solids (COSIRES), Loughborough (UK), 19-24 June 2016
  18. Evidence of pre-strain influence on FIB machining and resulting mechanical properties in silicon.
    J. Guénolé, C. Breuning, A. Prakash and E. Bitzek
    General Meeting on the Mechanics of Nano Objects GDRi CNRS MECANO, Marseille (France), 5-6 November 2015
  19. Evidence of pre-strain on irradiation induced damage from atomistic simulations.
    J. Guénolé and E. Bitzek
    TESCAN workshop in the framework of iStress, Brno (Czech Republic), 30-01 October 2015
  20. Evidence of pre-strain influence on early stages of focused ion beam machining in silicon.
    J. Guénolé, A. Prakash and E. Bitzek
    Internal retreat symposium, Sattelbogen (Germany), 28-30 September 2015
  21. Atomistic simulations of irradiation induced damage in pre-strained materials.
    J. Guénolé and E. Bitzek
    Internal meeting of the iStress EU project, Oxford (England), 11-12 May 2015
  22. Atomistic Simulations of Dislocation-Interface Interactions in γ/γ´ Microstructure of Ni-base Superalloys.
    J. Guénolé, A. Prakash, J. Wang and E. Bitzek
    Colloque Plasticité 2015, Autrans (France), 28-30 April 2015
  23. Absorption of dislocations in graind boundaries: from atomistic simulations towards a mesoscale representation.
    J. Guénolé, A. Prakash, K.E. Aifantis and E. Bitzek
    DPG Spring Meeting of the Condensed Matter Section, Berlin (Germany), 15-20 Mars 2015
  24. Dislocation - grain boundary interactions in aluminium: insights from atomistic simulations.
    J. Guénolé, A. Prakash and E. Bitzek
    Internal retreat symposium, Sattelbogen (Germany), 29-01 October 2014
  25. Atomistic simulations of irradiation induced damage.
    J. Guénolé and E. Bitzek
    Internal meeting of the iStress EU project, Rom (Italy), 8 October 2014
  26. Dislocation - grain boundary interactions in aluminium bicrystals: insights from atomistic simulations.
    J. Guénolé, A. Prakash and E. Bitzek
    General Meeting of the CNRS research group MECANO, Thun (Switzerland), 4-5 September 2014
  27. Dislocation - grain boundary interactions in aluminium: insights from atomistic simulations.
    J. Guénolé, A. Prakash and E. Bitzek
    25th Conference of the Condensed Matter Division (CMD25), Paris (France), 24-29 August 2014
  28. Dislocation - grain boundary interactions in aluminium bicrystals: an atomistic simulations study.
    J. Guénolé, A. Prakash, E. Bitzek and K.E. Aifantis
    Meeting of the working group Microstructural Mechanics of the DGM, Fürth (Germany), 23 June 2014
  29. Dislocation - grain boundary interactions in aluminium: insights from atomistic simulations.
    J. Guénolé, A. Prakash, E. Bitzek and K.E. Aifantis
    DPG Spring Meeting of the Condensed Matter Section, Dresden (Germany), 30-04 April 2014
  30. Dislocation-grain boundary interaction in fcc metals: the case of high angle twist grain boundaries.
    J. Guénolé, E. Bitzek and K.E. Aifantis
    40th internal retreat symposium, Sattelbogen (Germany), 30-02 October 2013
  31. First stages of plasticity in core-shell silicon nanostructures controlled by native interface defects.
    J. Guénolé, J. Godet, F. A. El Nabi and S. Brochard
    General Meeting of the CNRS research group MECANO, Düsseldorf (Germany), 18-19 July 2013
  32. L’origine de la plasticité dans les nanostructures semiconductrices coeur-coquille : défauts natifs à l’interface cristal-amorphe.
    J. Guénolé, J. Godet and S. Brochard
    Colloque Plasticité 2013, Paris (France), 17-19 April 2013
  33. First Stages of Plasticity Governed by Amorphous Shell in Silicon Nanopillar: an Atomistic Study.
    J. Guénolé, S. Brochard and J. Godet
    International Conference on Extended Defects in Semiconductors (EDS), Thessaloniki (Greece), 24-29 June 2012
  34. Study of the deformation of silicon nanowires by molecular dynamics.
    J. Guénolé, J. Godet and S. Brochard
    Plenary meeting of the CNRS research group MECANO, Poitiers (France), 7-8 April 2011
  35. Study of the deformation of silicon nanowires by molecular dynamics.
    J. Guénolé, J. Godet and S. Brochard
    Journées Nanosciences et Nanotechnologies du Nord Ouest (J2NO), Rouen (France), 24-25 Mars 2011
  36. Study of the plasticity of silicon nanowires by molecular dynamics.
    J. Guénolé, J. Godet and S. Brochard
    12e Journées de la Matière Condensée (JMC 12), Troyes (France), 23-27 August 2010
  37. Investigation of plasticity in silicon nanowires by molecular dynamics simulations.
    J. Guénolé, J. Godet and S. Brochard
    Internal seminar at EMPA, Thun (Switzerland), 17-20 mai 2010.

Conferences & seminars as co-author
Non-exhaustive list

  1. Atomistic simulation of cracks versus generalized continua
    M Mousavi, J Guénolé, P Baranova, E Bitzek, A M Korsunsky
    14th International Conference on Fracture (ICF 14), Rhodes (Greece), 18-23 June 2017 | news
  2. [...]
  3. Plasticity in core/shell nanowires: Soft shell on hard core, Hard shell on soft core
    J.Godet, J. Guénolé, C. Furgeaud, F. Abed El Nabi, S. Brochard and L. Pizzagalli
    Mechanical properties of core-shell nanostructures - workshop, Toulouse (France), 1-2 October 2015
  4. [...]

Posters
Non-exhaustive list

  1. MecaNano 2nd General Meeting 2024 (COST action CA21121), Vienna (Austria), May 1-3, 2024.
    Exploring the potential of dislocation density fields for the discrete-to-continuum crossover in nanomechanics.     H. Kharouji, Y.-F. Woguem, V. Taupin, L. Dezerald, J. Guénolé
  2. On the numerical atomistic characterization of interfacial plasticity
    J. Guénolé, V. Taupin, A. Guitton
    Colloque Plasticité 2022, Toulouse (France), 4-6 April 2022
  3. Plasticity in Laves phases: an atomistic approach
    F.-Z. Mouhib, C. Zehnder, J. Guénolé, B. Grabowski, S. Korte-Kerzel
    Colloque Plasticité 2018, Nancy (France), 9-11 April 2018
  4. Atomic Scale Study of Deformation Induced Topological Anisotropy in Silica and Silicate Glasses
     S. Ganisetti, J. Guénolé, A. Prakash and E. Bitzek
    24th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM), Donostia-San Sebastian (Spain), 18-23 June 2017
  5. Dislocations content in grain boundaries: from atomistic simulations towards a mesoscale representation
    J. Guénolé, A. Prakash, K. E. Aifantis and E. Bitzek
    24th International Symposium on Metastable, Amorphous and Nanostructured Materials (ISMANAM), Donostia-San Sebastian (Spain), 18-23 June 2017
  6. On the coupling of simulations an experiments for the study of FIB-induced irradiation damage.
    J. Guénolé, A. Prakash and E. Bitzek
    15eme Journées de la Matière Condensée - JMC15, Bordeaux (France), 22-26 August 2016
  7. Influence of intrinsic strain on irradiation induced damage.
    J. Guénolé, A. Prakash and E. Bitzek
    Colloque Plasticité 2016, Poitiers (France), 11-13 April 2016
  8. Atomistic Simulations of Dislocation-Interface Interactions in γ/γ´ Microstructure of Ni-base Superalloys.
    F. Houllé, J. Wang, J. Guénolé, J.J. Möller, A. Prakash and E. Bitzek
    12th International Conference on the Mechanical Behavior of Materials, Karlsruhe (Germany), 10-14 May 2015
  9. Dislocation - grain boundary interactions in aluminium: insights from atomistic simulations.
    J. Guénolé, A. Prakash, K.E. Aifantis and E. Bitzek
    Colloque Plasticité 2014, Lyon (France), 28-30 April 2014
  10. [...]
  11. Onset of plasticity in silicon nanowires: a molecular dynamics study.
    J. Guénolé, J. Godet, S. Brochard and L. Thilly
    ECI Conference on Nanomechanical Testing in Materials Research and Development, Lanzarote (Canary Islands, Spain), 9-14 October 2011
  12. Study of the plasticity of silicon nanowires by molecular dynamics.
    J. Guénolé, S. Brochard and J. Godet
    25èmes Journées Surfaces et Interfaces, Poitiers (France), 26-28 January 2011
  13. Investigation of plasticity in silicon nanowires by molecular dynamics simulations.
    J. Guénolé, S. Brochard and J. Godet
    9th Japan-France Workshop on Nanomaterials, Toulouse (France), 24-26 November 2010
  14. Study of the deformation of silicon nanowires by molecular dynamics.
    J. Guénolé, J. Godet and S. Brochard
    CNRS summer school "Mécanique des Nano-Objets", Autrans (France), 14-19 Mars 2010.
  15. Study of the deformation of silicon nanowires by molecular dynamics.
    J. Guénolé, J. Godet and S. Brochard
    Colloque plasticité 2010, Toulouse (France), 8-10 Mars 2010

Publications

List of publications and related citations available on Google Scholar and Scopus (36570318300).
Find me also on ORCID (0000-0002-3288-8951) and ResearcherID (B-5932-2016).
Some preprint can be found on arXiv (guenole_j_1) and HAL (julien-guenole).

Peer-reviewed articles

  1. Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach
    Z. Xie, A. Atila, J. Guénolé, S. Korte-Kerzel, T. Al-Samman, U. Kerzel
    Journal of Magnesium and Alloys (2025)
    DOI: 10.1016/j.jma.2025.03.021 [open access]
  2. On the effect of elastic anisotropy and polarizability on solute segregation at low-angle grain boundaries
    J. Petrazoller, J. Guénolé, S. Berbenni, T. Richeton
    Computational Materials Science 249 (2025) 113642
    DOI: 10.1016/j.commatsci.2024.113642 [open access] (Postprint hal-04866061)
  3. On the atomistic origin of internal length scale in strain-gradient plasticity models: The case of grain boundary structures and energies
    H. Kharouji, V. Taupin, J. Guénolé
    Acta Materialia 284 (2025) 120555
    DOI: 10.1016/j.actamat.2024.120555 [open access]
  4. Grain boundary segregation spectrum in basal-textured Mg alloys: From solute decoration to structural transition
    A. Ganguly, H. Wang, J. Guénolé, A. Prakash, S. Korte-Kerzel, T. Al-Samman, Z. Xie
    Acta Materialia 283 (2025) 120556
    DOI: 10.1016/j.actamat.2024.120556 [open access] (Postprint hal-04804037)
  5. Atomistic to continuum mechanics description of crystal defects with dislocation density fields: Application to dislocations and grain boundaries
    H. Kharouji, L. Dezerald, P. Hirel, P. Carrez, P. Cordier, V. Taupin, J. Guénolé 
    International Journal of Plasticity 177 (2024) 103990
    DOI: 10.1016/j.ijplas.2024.103990 [open access] (Postprint hal-04471501)
  6. Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials
    H. Wang, J Guénolé, S Korte-Kerzel, T. Al-Samman, Z. Xie 
    Computational Materials Science 240 (2024) 113025
    DOI: 10.1016/j.commatsci.2024.113025 [open access] (Postprint hal-04554563)
  7. Exploring Solute Behavior and Texture Selection in Magnesium Alloys at the Atomistic Level
    F. Mouhib, Z. Xie, A. Atilla, J Guénolé, S Korte-Kerzel, T. Al-Samman
    Acta Materialia 266 (2024) 119677
    DOI: 10.1016/j.actamat.2024.119677 [open access] (Preprint arXiv:2308.05811)
  8. The origin of deformation induced topological anisotropy in silica glass
    S Ganisetti, A Atila, J Guénolé, A Prakash, J Horbach, L Wondraczek, E Bitzek
    Acta Materialia 257 (2023) 119108
    DOI: 10.1016/j.actamat.2023.119108 [open access] (Preprint arXiv:2206.03039)
  9. Thermally activated nature of synchro-Shockley dislocations in Laves phases
    Z Xie, D Chauraud, A Atila, E Bitzek, S Korte-Kerzel, J Guénolé
    Scripta Materialia 235 (2023) 115588
    DOI: 10.1016/j.scriptamat.2023.115588 (Preprint arXiv:2303.03044)
  10. Unveiling the mechanisms of motion of synchro-Shockley dislocations in Laves phases
    Z Xie, D Chauraud, A Atila, E Bitzek, S Korte-Kerzel, J Guénolé
    Physical Review Materials 7 (2023) 053605
    DOI: 10.1103/PhysRevMaterials.7.053605 [free access: hal-03820232] (Preprint arXiv:2205.02669)
  11. Atomistic insights into the inhomogeneous nature of solute segregation to grain boundaries in magnesium
    R Pei, Z Xie, S Yi, S Korte-Kerzel, J Guénolé, T Al-Samman
    Scripta Materialia 230 (2023) 115432
    DOI: 10.1016/j.scriptamat.2023.115432 (Preprint hal-03820231 arXiv:2201.02884)
  12. Tailoring the plasticity of topologically close-packed phases via the crystals' fundamental building blocks
    W Luo, Z Xie, S Zhang, J Guénolé, P-L Sun, A Meingast, A Alhassan, X Zhou, F Stein, L Pizzagalli, B Berkels, C Scheu, S Korte-Kerzel
    Advanced Materials (2023) 2300586
    DOI: 10.1002/adma.202300586 [open access] (Preprint arXiv:2303.05858)
  13. Atomistic aspects of load transfer and fracture in CNT-reinforced aluminium
    S Nasiri, K Wang, M Yang, J Guénolé, Q Li, M Zaiser
    Materialia 22 (2022) 101376
    DOI: 10.1016/j.mtla.2022.101376 (Preprint arXiv:2110.14444)
  14. Features of a nano-twist phase in the nanolayered Ti3AlC2 MAX phase
    J. Guénolé, V. Taupin, M. Vallet, W. Yu, A. Guitton
    Scripta Materialia 210 (2022) 114425
    DOI: 10.1016/j.scriptamat.2021.114425 (Preprint hal-03207521 arXiv:2303.09180 )
  15. Laves phase crystal analysis (LaCA): Atomistic identification of lattice defects in C14 and C15 topologically close-packed phases
    Z. Xie, D. Chauraud, E. Bitzek, S. Korte-Kerzel, J. Guénolé
    Journal of Materials Research 36 (2021) 2010-2024
    DOI: 10.1557/s43578-021-00237-y [open access] (Postprint hal-03178464)
  16. Exploring the transfer of plasticity across Laves phase interfaces in a dual phase magnesium alloy
    J. Guénolé, M. Zubair, S. Roy, Z. Xie, M. Lipińska-Chwałek, S. Sandlöbes-Haut, S. Korte-Kerzel
    Materials & Design 202 (2021) 109572
    DOI: 10.1016/j.matdes.2021.109572 [open access] (Postprint hal-03146421)
  17. Frank partial dislocation in Ti2AlC-MAX phase induced by matrix-Cu diffusion
    W. Yu, J. Guénolé, J. Ghanbaja, M. Vallet & A. Guitton
    Scripta Materialia 191 (2021) 34-39
    DOI: 10.1016/j.scriptamat.2020.09.007 (Preprint hal-02940841)
  18. In-situ observation of the initiation of plasticity by nucleation of prismatic dislocation loops
    S. Lee, A. Vaid, J. Im, B. Kim, A. Prakash, J. Guénolé, D. Kiener, E. Bitzek & S. H. Oh
    Nature Communications 11 (2020) 2367
    DOI: 10.1038/s41467-020-15775-y     [open access]
  19. Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS
    J. Guénolé, W. G. Nöhring, A. Vaid, F. Houllé, Z. Xie, A. Prakash, E. Bitzek
    Computational Materials Science 175 (2020) 109584
    DOI: 10.1016/j.commatsci.2020.109584 [open access] (Preprint arXiv:1908.02038)
  20. Elucidating the formation of Al-NBO bonds, Al-O-Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations
    S. Ganisetti, A. Gaddam, R. Kumar, S. Balaji, G. C. Mather, M. J. Pascual, M. Fabian, R. Siegel, J. Senker, V. Kharton, J. Guénolé, N. M. A. Krishnan, J. M. F. Ferreira, A. R. Allu
    Physical Chemistry Chemical Physics 21 (2019) 23966-23977
    DOI: 10.1039/C9CP04332B (Preprint hal-02940841)
  21. Atomistic Simulations of Basal Dislocations Interacting with Mg17Al12 Precipitates in Mg
    A. Vaid, J. Guénolé, A. Prakash, S. Korte-Kerzel, E. Bitzek
    Materialia 7 (2019) 100355
    DOI: 10.1016/j.mtla.2019.100355 (Preprint arXiv:1902.09446)
  22. Basal slip in Laves phases: The synchroshear dislocation
    J. Guénolé, F.-Z. Mouhib, L. Huber, B. Grabowski, S. Korte-Kerzel
    Scripta Materialia 166 (2019) 134-138
    DOI: 10.1016/j.scriptamat.2019.03.016 (Preprint arXiv:1902.01646 )
  23. Ti and its alloys as examples of cryogenic focused ion beam milling of environmentally-sensitive materials
    Y Chang, W Lu, J Guénolé, L Stephenson, A Szczpaniak, P Kontis, A Ackerman, F Dear, I Mouton, X Zhong, S Zhang, D Dye, C Liebscher, D Ponge, S Korte-Kerzel, D Raabe, B Gault
    Nature Communications 10 (2019) 942 [related news]
    DOI: 10.1038/s41467-019-08752-7 [open access]
  24. Atomistic simulations of focused ion beam machining of strained silicon
    J Guénolé, A Prakash, E Bitzek
    Applied Surface Science 416 (2017) 86-95
    DOI: 10.1016/j.apsusc.2017.04.027 (Preprint hal-02459266)
  25. Influence of intrinsic strain on irradiation induced damage: the role of threshold displacement and surface binding energies
    J Guénolé, A Prakash, E Bitzek
    Materials & Design 111 (2016), 405-413
    DOI: 10.1016/j.matdes.2016.08.077 (Preprint hal-02459274)
  26. Quantifying eigenstrain distributions induced by focused ion beam damage in silicon
    A. M. Korsunsky, J Guénolé, E Salvati, T Sui, M Mousavi, A Prakash, E Bitzek
    Materials Letters 185 (2016), 47-49
    DOI: 10.1016/j.matlet.2016.08.111
  27. Atom probe informed simulations of dislocation–precipitate interactions reveal the importance of local interface curvature
    A Prakash, J Guénolé, J Wang, J Müller, E Spiecker, MJ Mills, I Povstugar, P Choi, D Raabe, E Bitzek
    Acta Materialia 92 (2015), 33-45
    DOI: 10.1016/j.actamat.2015.03.050 | Top25 (Preprint hal-02459286)
  28. A new parametrization of the Stillinger–Weber potential for an improved description of defects and plasticity of silicon
    L Pizzagalli, J Godet, J Guénolé, S Brochard, E Holmstrom, K Nordlund, T Albaret
    Journal of Physics: Condensed Matter 25 (2013), 055801
    DOI: 10.1088/0953-8984/25/5/055801
  29. Plasticity in crystalline-amorphous core-shell Si nanowires controlled by native interface defects
    J Guénolé, J Godet, S Brochard
    Physical Review B 87 (2013), 045201
    DOI: 10.1103/PhysRevB.87.045201 (Postprint: hal-02459314)
  30. Unexpected slip mechanism induced by the reduced dimensions in silicon nanostructures: Atomistic study
    J Guénolé, S Brochard, J Godet
    Acta Materialia 59 (2011), 7464-7472
    DOI: 10.1016/j.actamat.2011.08.039
  31. Deformation of silicon nanowires studied by molecular dynamics simulations
    J Guénolé, J Godet, S Brochard
    Modelling and Simulation in Materials Science and Engineering 19 (2011), 074003
    DOI: 10.1088/0965-0393/19/7/074003
  32. Determination of activation parameters for the core transformation of the screw dislocation in silicon
    J Guénolé, J Godet, L Pizzagalli
    Modelling and Simulation in Materials Science and Engineering 18 (2010), 065001
    DOI: 10.1088/0965-0393/18/6/065001

Book chapters

  1. Review on the mechanical properties of nanowires investigated by simulations
    J. Godet, J. Guénolé, S. Brochard, L. Pizzagalli
    PRESSE DES MINES editions (2011)
    Edited by Samuel Forest, Anne Ponchet and Olivier Thomas
    ISBN : 978-2911256-67-7

    ISBN : 978-2911256-67-7

Conference proceedings

  1. Investigation of Plasticity in Silicon Nanowires by Molecular Dynamics Simulations
    J Guénolé, J Godet, S Brochard
    Key Engineering Materials 465 (2011), 89-92
    DOI: 10.4028/www.scientific.net/KEM.465.89
  2. Dislocation cores in silicon: new aspects from numerical simulations
    L Pizzagalli, J Godet, J Guénolé, S Brochard
    Journal of Physics: Conference Series 281 (2011), 012002
    DOI: 10.1088/1742-6596/281/1/012002 [open access]

Research overview

SECTION IN CONSTRUCTION

Slip transfer at grain-boundaries in metals

  • Interactions dislocation - grain boundary in metals
  • Influence of the absorption of dislocions on grain boundary properties
  • Morphological aspect of slip transmission: does the curvateur of dislocation and grain boundary matter?

Slip transfer in superalloy

  • Slip transmission in monocrystalline superalloy: an experimentally informed numerical approach
  • Reconstruction of gamma/gamma' structure from experimental data.
  • Critical mechanism revealed by experimentally informed dislocation-interface interactions

Plasticity in magnesium alloys

  • Deformation of Mg matric containing Mg17Al12 intermetallic precipitates

Plasticity of complexe phases

  • Dislocation properties and behavior in Laves phases (C14, C15, C36).

Deformation behavior of nano-structures

  • Compression of nano-porous gold sub-micrometric pillars
  • Deformation of silicon nano-pillars and nano-wires

Atomistic - continuum bridging

  • Slip transfer at interfaces
  • Irradiation induced strain

Irradiation induced damage & strain

  • How instrinsic strain influence irradiation induced damage?
  • How to quantify the strain induced by irradiation damage?
  • Concept of eigenstrain to model the irradiation induced strain.

Anisotropic silica glasses

  • Origin of the structural anisotropy in silica glass
  • Influence of the structural anisotropy on the mechanical response of silica glass

Plasticity in Silicon

  • Transformation of dislocation core
  • Onset of plasticity in nanostructures
  • Plasticity initiated at interface
  • Anomalous slip system

Atomic to continuum aspects of fracture in metals

  • Fracture in atomistic sample is strongly dependant on the boundary conditions. A prescribed-generalized plane strain approach is shown to
  • Stresses profiles at crack tip are strongly discontinuous and hard to capture with continuum models. Atomistic simulations help bridging discret and continuum aspects.