Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps J Guénolé, WG Nöhring, A Vaid, F Houllé, Z Xie, A Prakash, E Bitzek Computational Materials Science 175, 109584, 2020 | 151 | 2020 |
Ti and its alloys as examples of cryogenic focused ion beam milling of environmentally-sensitive materials Y Chang, W Lu, J Guénolé, LT Stephenson, A Szczpaniak, P Kontis, ... Nature communications 10 (1), 942, 2019 | 120 | 2019 |
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, ... Journal of Physics: Condensed Matter 25 (5), 055801, 2013 | 90 | 2013 |
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, ... Acta Materialia 92, 33-45, 2015 | 88 | 2015 |
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, ... Nature communications 11 (1), 2367, 2020 | 46 | 2020 |
Basal slip in Laves phases: The synchroshear dislocation J Guénolé, FZ Mouhib, L Huber, B Grabowski, S Korte-Kerzel Scripta Materialia 166, 134-138, 2019 | 45 | 2019 |
Quantifying eigenstrain distributions induced by focused ion beam damage in silicon AM Korsunsky, J Guénolé, E Salvati, T Sui, M Mousavi, A Prakash, ... Materials Letters 185, 47-49, 2016 | 45 | 2016 |
Atomistic simulations of basal dislocations in Mg interacting with Mg17Al12 precipitates A Vaid, J Guénolé, A Prakash, S Korte-Kerzel, E Bitzek Materialia 7, 100355, 2019 | 38 | 2019 |
Plasticity in crystalline-amorphous core-shell Si nanowires controlled by native interface defects J Guénolé, J Godet, S Brochard Physical Review B—Condensed Matter and Materials Physics 87 (4), 045201, 2013 | 33 | 2013 |
Deformation of silicon nanowires studied by molecular dynamics simulations J Guénolé, J Godet, S Brochard Modelling and Simulation in Materials Science and Engineering 19 (7), 074003, 2011 | 31 | 2011 |
Atomistic simulations of focused ion beam machining of strained silicon J Guénolé, A Prakash, E Bitzek Applied Surface Science 416, 86-95, 2017 | 30 | 2017 |
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, 34-39, 2021 | 24 | 2021 |
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, GC Mather, MJ Pascual, ... Physical Chemistry Chemical Physics 21 (43), 23966-23977, 2019 | 24 | 2019 |
Unexpected slip mechanism induced by the reduced dimensions in silicon nanostructures: Atomistic study J Guénolé, S Brochard, J Godet Acta materialia 59 (20), 7464-7472, 2011 | 24 | 2011 |
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, ... Materials & Design 202, 109572, 2021 | 21 | 2021 |
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, 115432, 2023 | 19* | 2023 |
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, 405-413, 2016 | 18 | 2016 |
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 (6), 065001, 2010 | 17 | 2010 |
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 (5), 053605, 2023 | 11* | 2023 |
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, 101376, 2022 | 11 | 2022 |