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Lucile Dezerald
Lucile Dezerald
IJL
Adresse e-mail validée de univ-lorraine.fr
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Année
Plastic anisotropy and dislocation trajectory in BCC metals
L Dezerald, D Rodney, E Clouet, L Ventelon, F Willaime
Nature communications 7 (1), 11695, 2016
1452016
Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
L Dezerald, L Ventelon, E Clouet, C Denoual, D Rodney, F Willaime
Physical Review B 89 (2), 024104, 2014
1282014
First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe
L Dezerald, L Proville, L Ventelon, F Willaime, D Rodney
Physical Review B 91 (9), 094105, 2015
952015
Stability of self-interstitial clusters with C15 Laves phase structure in iron
L Dézerald, MC Marinica, L Ventelon, D Rodney, F Willaime
Journal of Nuclear Materials 449 (1-3), 219-224, 2014
402014
Simulating the mechanisms of serrated flow in interstitial alloys with atomic resolution over diffusive timescales
Y Zhao, L Dezerald, M Pozuelo, X Zhou, J Marian
Nature communications 11 (1), 1227, 2020
342020
Non-glide effects and dislocation core fields in BCC metals
A Kraych, E Clouet, L Dezerald, L Ventelon, F Willaime, D Rodney
npj Computational Materials 5 (1), 109, 2019
342019
Screw dislocations in BCC transition metals: from ab initio modeling to yield criterion
E Clouet, B Bienvenu, L Dezerald, D Rodney
Comptes Rendus. Physique 22 (S3), 83-116, 2021
272021
Electronic structure calculations of oxygen atom transport energetics in the presence of screw dislocations in tungsten
Y Zhao, L Dezerald, J Marian
Metals 9 (2), 252, 2019
252019
Cement As a Waste Form for Nuclear Fission Products: The Case of 90Sr and Its Daughters
L Dezerald, JJ Kohanoff, AA Correa, A Caro, RJM Pellenq, FJ Ulm, A Saúl
Environmental Science & Technology 49 (22), 13676-13683, 2015
242015
Production of H2 by water radiolysis in cement paste under electron irradiation: A joint experimental and theoretical study
S Le Caër, L Dezerald, K Boukari, M Lainé, S Taupin, RM Kavanagh, ...
Cement and Concrete Research 100, 110-118, 2017
172017
Ab initio informed yield criterion across body-centered cubic transition metals
B Bienvenu, L Dezerald, D Rodney, E Clouet
Acta Materialia 236, 118098, 2022
92022
Using first-principles calculations to predict the mechanical properties of transmuting tungsten under first wall fusion power-plant conditions
Y Qian, MR Gilbert, L Dezerald, D Cereceda
Journal of Physics: Condensed Matter 33 (34), 345901, 2021
52021
Modélisation ab-initio des dislocations dans les métaux de transition cubiques centrés
L Dezerald
Grenoble, 2014
22014
Modélisation ab initio des dislocations vis dans les métaux de transition cubiques centrés
L Dézerald
CEA Saclay, Direction des systèmes d'information, 2014
22014
Erratum: Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals [Phys. Rev. B 89, 024104 (2014)]
L Dezerald, L Ventelon, E Clouet, C Denoual, D Rodney, F Willaime
Physical Review B 91 (1), 019902, 2015
12015
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
2024
Ab initio study of tungsten-based alloys under fusion power-plant conditions
Y Qian, MR Gilbert, L Dezerald, D Nguyen-Manh, D Cereceda
Journal of Nuclear Materials 581, 154422, 2023
2023
Cement As a Waste Form for Nuclear Fission Products: The Case of ⁹⁰Sr and Its Daughters
L Dezerald, JJ Kohanoff, AA Correa, A Caro, RJM Pellenq, FJ Ulm, A Saúl
American Chemical Society (ACS), 2015
2015
Ab initio modelling of screw dislocations in body-centered cubic transition metals; Modelisation ab initio des dislocations vis dans les metaux de transition cubiques centres
L Dezerald
2014
Ab initio modelling of screw dislocations in body-centered cubic transition metals
L Dezerald
Universite de Grenoble, 2014
2014
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