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. FFT-based disclination mechanics for high angle grain boundaries and comparisons with atomistic simulations
    A. Wazne, J. Petrazoller, J. Guénolé, T. Richeton,  S. Berbenni
    Mechanics Research Communications 149 (2025) 104529
    DOI: 10.1016/j.mechrescom.2025.104529 [open access] (Postprint hal-05290382)
  2. Revealing nanoscale plasticity of metallic nanosponges with correlative and scale-bridging 3D microscopy and modelling
    T. Przybilla, Z. Xie, A. Prakash, E. Thiess, F. Niekiel, B.A. Zubiri, M. Mačković, P. Schweizer, J. Guénolé, S.T. Kelly, H.A. Bale, D. Wang, S. Sandfeld, E. Bitzek, E. Spiecker
    Communications Materials 6 (2025) 204
    DOI: 10.1038/s43246-025-00914-z [open access] (Postprint hal-05262460)
  3. Nanoscale Mechanisms Limiting Non-Basal Plasticity in Magnesium
    J. Jeong, Z. Xie, M. Alfreider, S. Korte-Kerzel, D. Kiener, J. Guénolé*, S.H. Oh*
    Acta Materialia 296 (2025) 121261
    DOI: 10.1016/j.actamat.2025.121261 (Postprint hal-04095159)
  4. 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 13 (2025) 2636
    DOI: 10.1016/j.jma.2025.03.021 [open access] (Postprint hal-05165142)
  5. 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)
  6. 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] (Postprint hal-04806348)
  7. 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)
  8. 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)
  9. 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)
  10. 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)
  11. 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)
  12. 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)
  13. 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)
  14. 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)
  15. 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)
  16. 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)
  17. 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 )
  18. 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)
  19. 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)
  20. 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)
  21. 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]
  22. 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)
  23. 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)
  24. 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)
  25. 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 )
  26. 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]
  27. 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)
  28. 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)
  29. 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
  30. 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)
  31. 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
  32. 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)
  33. 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
  34. 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
  35. 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]