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George B. Bokas
George B. Bokas
European Climate, Infrastructure and Environmental Executive Agency (CINEA)
Dirección de correo verificada de ec.europa.eu
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Probing the structure of a liquid metal during vitrification
K Georgarakis, L Hennet, GA Evangelakis, J Antonowicz, GB Bokas, ...
Acta Materialia 87, 174-186, 2015
422015
Efficient hydrogen storage in defective graphene and its mechanical stability: A combined density functional theory and molecular dynamics simulation study
GK Sunnardianto, G Bokas, A Hussein, C Walters, OA Moultos, P Dey
International journal of Hydrogen energy 46 (7), 5485-5494, 2021
402021
On the role of Sm in solidification of Al-Sm metallic glasses
GB Bokas, L Zhao, JH Perepezko, I Szlufarska
Scripta Materialia 124, 99-102, 2016
352016
Increased stability of CuZrAl metallic glasses prepared by physical vapor deposition
GB Bokas, L Zhao, D Morgan, I Szlufarska
Journal of Alloys and Compounds 728, 1110-1115, 2017
332017
Nucleation kinetics in Al-Sm metallic glasses
L Zhao, GB Bokas, JH Perepezko, I Szlufarska
Acta Materialia 142, 1-7, 2018
242018
Clustering, microalloying and mechanical properties in Cu/Zr-based glassy models by molecular dynamics simulations and ab-initio computations
CE Lekka, GB Bokas, GA Almyras, DG Papageorgiou, GA Evangelakis
Journal of Alloys and Compounds 536, S65-S69, 2012
242012
A map of single-phase high-entropy alloys
W Chen, A Hilhorst, G Bokas, S Gorsse, PJ Jacques, G Hautier
Nature Communications 14 (1), 2856, 2023
192023
Unveiling the thermodynamic driving forces for high entropy alloys formation through big data ab initio analysis
GB Bokas, W Chen, A Hilhorst, PJ Jacques, S Gorsse, G Hautier
Scripta Materialia 202, 114000, 2021
192021
On the role of Icosahedral-like clusters in the solidification and the mechanical response of Cu–Zr metallic glasses by Molecular Dynamics simulations and Density Functional …
GB Bokas, AE Lagogianni, GA Almyras, CE Lekka, DG Papageorgiou, ...
Intermetallics 43, 138-141, 2013
192013
Visualizing temperature-dependent phase stability in high entropy alloys
D Evans, J Chen, G Bokas, W Chen, G Hautier, W Sun
npj Computational Materials 7 (1), 151, 2021
152021
Modifications of CuxZr12− xY Icosahedra upon (0< x< 12, Y= Be, Mg, Al, Si, P, Nb, Ag) substitutions by density functional theory computations
GB Bokas, GA Evangelakis, CE Lekka
Computational materials science 50 (9), 2658-2662, 2011
102011
Microalloying effect in ternary Al-Sm-X (X= Ag, Au, Cu) metallic glasses studied by ab initio molecular dynamics
J Xi, G Bokas, LE Schultz, M Gao, L Zhao, Y Shen, JH Perepezko, ...
Computational Materials Science 185, 109958, 2020
82020
Microalloying effects in ternary Cu-Zr-X (X= Be, Mg, Al, Si, P, Nb, Ag) icosahedral clusters and super-clusters from density functional theory computations
GB Bokas, CE Lekka, DG Papageorgiou, GA Evangelakis
Polyhedron 133, 1-7, 2017
52017
Synthesis of Sm–Al metallic glasses designed by molecular dynamics simulations
GB Bokas, Y Shen, L Zhao, HW Sheng, JH Perepezko, I Szlufarska
Journal of materials science 53, 11488-11499, 2018
32018
Using large scale Ab initio computing to predict and understand high entropy alloys formation
G Hautier, GB Bokas, W Chen, S Gorsse, PJ Jacques
TMS 2021 Annual Meeting & Exhibition, 2021
2021
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Artículos 1–15