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Castillo-Sánchez, J.-R., Salloum-Abou-Jaoude, G., Gheribi, A. E., Lafaye, P., Oishi, K., Masse, J.-P., Bousser, É., L'Espérance, G., & Harvey, J.-P. (2024). Synthesis and characterization of (Al,Si)₃(Zr,Ti)-D0₂₂/D0₂₃ intermetallics: Understanding the stability of silicon substitution. Acta Materialia, 262, 119455 (18 pages). Disponible
Castillo-Sánchez, J.-R., Gheribi, A. E., Lafaye, P., Salloum-Abou-Jaoude, G., & Harvey, J.-P. (juin 2023). Investigation of silicon sublattice substitution within (Al,Si)3Zr intermetallics via DFT simulations [Communication écrite]. 16th International Conference on Modelling of Casting Welding and Advanced Solidification Processes (MCWASP 2023), Banff, Alberta, Canada (8 pages). Publié dans IOP Conference Series: Materials Science and Engineering, 1281(1). Disponible
Rincent, C., Castillo-Sánchez, J.-R., Gheribi, A. E., & Harvey, J.-P. (2023). On the exploration of the melting behavior of metallic compounds and solid solutions via multiple classical molecular dynamics approaches: application to Al-based systems. Physical Chemistry Chemical Physics, 25(15), 10866-10884. Disponible
Gheribi, A. E., Phan, A. T., & Chartrand, P. (2023). Electrochemical description of the interfacial tension between the liquid metal pad and cryolitic melts in industrial electrolysis cells. Journal of Molecular Liquids, 369, 12 pages. Lien externe
Ruszczynski, L., Gheribi, A. E., & Smith, A. L. Coupled modelling of structural, thermodynamic and physicochemical properties of NaF-KF-UF4 fuel salt [Présentation]. Dans NuFuel 2023, Marseille, France. Non disponible
Jofré, J., Gheribi, A. E., & Harvey, J.-P. (2023). Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 83, 102624 (16 pages). Lien externe
Yang, H., Gallagher, R., Chartrand, P., & Gheribi, A. E. (2023). Development of a molten salt thermal conductivity model and database for advanced energy systems. Solar Energy, 256, 158-178. Lien externe
ter Veer, N., Gheribi, A. E., Ocadiz-Flores, J. A., Abbink, M., de Vries, K., Vlieland, J., Couvweleers, S., Konings, R. J. M., & Smith, A. L. (novembre 2023). Experimental insight and modelling of the NaCl-ThCl4-PuCl3 fuel salt properties [Présentation]. Dans NuFuel 2023, Marseille, France. Non disponible
Roger, T., Dion, L., Kiss, L., Chartrand, P., Phan, A. T., Gheribi, A. E., Guérard, S., & Bilodeau, J.-F. (novembre 2023). Modeling of the Distribution of Alumina Aggregates in an Electrolysis Cell based on a Three-Layer Method [Présentation]. Dans 41st International Conference and Exhibition of ICSOBA (ICSOBA 2023), Dubai, United Arab Emirates. Non disponible
Gheribi, A. E., & Lee, J. J. (2023). Modeling solid-state detonation based on thermochemical equilibrium calculations. Combustion Science and Technology, 195(7), 1-6. Lien externe
Yang, H., Gallagher, R. C., Phan, A.-T., Chartrand, P., & Gheribi, A. E. (2023). A predictive approach for the compositional and temperature representation of thermal conductivity in multicomponent molten salt systems for advanced energy applications. Materials Today Energy, 38, 23 pages. Lien externe
Letessier, J., Gheribi, A. E., Vanson, J.-M., Duguay, C., Rigollet, F., Ehret, N., Vicente, J., & Gardarein, J.-L. (2023). Thermal transport-porosity-microstructural characteristics: unpicking the relationship in ultra-porous -Al2O3 powder. International Journal of Heat and Mass Transfer, 205. Lien externe
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2023). Undissolved alumina in dynamic chunks piercing through the bath-metal interface in industrial aluminum electrolysis cells. Chemical Engineering Science, 276, 118799 (14 pages). Lien externe
Harvey, J.-P., Gheribi, A. E., Robelin, C., Chartrand, P., Lafaye, P., Oishi, K., & Castillo-Sánchez, J.-R. A virtual laboratory for the aluminum industry [Présentation]. Dans 50th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2023), Boston, MA, USA. Non disponible
Castillo-Sánchez, J.-R., Rincent, C., Gheribi, A. E., & Harvey, J.-P. (2022). On the transferability of classical pairwise additive atomistic force field to the description of unary and multi-component systems: applications to the solidification of Al-based alloys. Physical Chemistry Chemical Physics, 24(37), 22605-22623. Disponible
Letessier, J., Gardarein, J.-L., Vanson, J.-M., Duguay, C., Rigollet, F., Gheribi, A. E., & Vicente, J. (mai 2022). Influence des propriétés des grains sur la conductivité thermique d'un lit de poudre d'alumine α-Al2O3 [Communication écrite]. 30e Congrès Français de Thermique (Congrès annuel de la Société française de thermique 2022), Valenciennes, France (8 pages). Lien externe
Gallagher, R. C., Birri, A., Russell, N. G., Phan, A. T., & Gheribi, A. E. (2022). Investigation of the thermal conductivity of molten LiF-NaF-KF with experiments, theory, and equilibrium molecular dynamics. Journal of Molecular Liquids, 361, 119151 (13 pages). Lien externe
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2022). A reliable framework to predict the temperature dependent thermal conductivity of multicomponent salt based PCMs in both solid and liquid state. Solar Energy, 233, 309-325. Lien externe
Gheribi, A. E., Phan, A. T., & Chartrand, P. (2022). A theoretical framework for reliable predictions of thermal conductivity of multicomponent molten salt mixtures: KCl-NaCl-MgCl2 as a case study. Solar Energy Materials and Solar Cells, 236, 111478 (9 pages). Lien externe
Ocadiz-Flores, J. A., Gheribi, A. E., Vlieland, J., de Haas, D., Dardenne, K., Rothe, J., Konings, R. J. M., & Smith, A. L. (2021). Examination of the short-range structure of molten salts: ThF₄, UF₄, and related alkali actinide fluoride systems. Physical Chemistry Chemical Physics, 23(18), 11091-11103. Lien externe
Schreuder, M. B. J. W., Flores, J. A. O., Gheribi, A. E., Beneš, O., Griveau, J.-C., Colineau, E., Konings, R. J. M., & Smith, A. L. (2021). Experimental and computational exploration of the naf-thf4 fuel system: Structure and thermochemistry. Journal of Physical Chemistry B, 125(30), 8558-8571. Disponible
Gheribi, A. E., Rouaut, G., & Chartrand, P. (2021). Mapping the Electronic Transference Number of Cryolitic Melts. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 52(2), 586-589. Lien externe
Ocadiz-Flores, J. A., Gheribi, A. E., Vlieland, J., Dardenne, K., Rothe, J., Konings, R. J. M., & Smith, A. L. (2021). New insights and coupled modelling of the structural and thermodynamic properties of the LiF-UF4 system. Journal of Molecular Liquids, 331, 16 pages. Lien externe
Gheribi, A. E., Harvey, J.-P., & Pelton, A. (décembre 2021). Prediction of optimal high entropy alloys using new thermodynamic multi-objective criteria [Présentation]. Dans 2nd World Congress on High Entropy Alloys (HEA 2021), Charlotte, NC, USA. Non disponible
Gheribi, A. E., & Chartrand, P. (juin 2021). Principles Simulations for the Prediction and Modelling of the Thermal Properties in Complex Solid Salt Systems [Communication écrite]. 21st Symposium on Thermophysical Properties, Boulder, CO, USA. Non disponible
Alarie, S., Audet, C., Gheribi, A. E., Kokkolaras, M., & Le Digabel, S. (2021). Two decades of blackbox optimization applications. EURO Journal on Computational Optimization, 9, 100011 (13 pages). Lien externe
Smith, A. L., Capelli, E., Konings, R. J. M., & Gheribi, A. E. (2020). Erratum to : "A new approach for coupledmodelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF2 (vol 299, 112165, 2020)". Journal of Molecular Liquids, 314, 113421 (1 page). Disponible
Harvey, J.-P., Lebreux-Desilets, F., Marchand, J., Oishi, K., Bouarab, A.-F., Robelin, C., Gheribi, A. E., & Pelton, A. (2020). On the application of the factsage thermochemical software and databases in materials science and pyrometallurgy. Processes, 8(9), 1156 (31 pages). Disponible
Smith, A. L., Capelli, E., Konings, R. J. M., & Gheribi, A. E. (2020). A new approach for coupled modelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF₂. Journal of Molecular Liquids, 299, 112165 (24 pages). Disponible
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2020). Coherent and para-equilibrium phase transformations in Mn-doped-LiFePO₄ cathode materials: Implications for lithium ion battery performances. Journal of Alloys and Compounds, 838, 18 pages. Lien externe
Bernhard, M., Kang, Y.-B., Presoly, P., Gheribi, A. E., & Bernhard, C. (2020). Critical evaluation and thermodynamic modeling of the FeP and FeCP system. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 70, 14 pages. Lien externe
Gheribi, A. E., Pelton, A., & Harvey, J.-P. (2020). Determination of optimal compositions and properties for phase change materials in a solar electric generating station. Solar Energy Materials and Solar Cells, 210, 110506 (15 pages). Lien externe
Gheribi, A. E., Salanne, M., Zanghi, D., Machado, K., Bessada, C., & Chartrand, P. (2020). First-Principles Determination of Transference Numbers in Cryolitic Melts. Industrial & Engineering Chemistry Research, 59(29), 13305-13314. Lien externe
Rouaut, G., Gheribi, A. E., & Chartrand, P. (2020). Modelling the electronic conduction in metals-molten salts mixtures. Application to cryolitic melts in Hall-Heroult cells. Journal of Fluorine Chemistry, 237, 109597 (11 pages). Lien externe
Harvey, J.-P., Gheribi, A. E., Rincent, C., Jofré, J., & Lafaye, P. (2020). On the elaboration of the next generation of thermodynamic models of solid solutions. Physical Chemistry Chemical Physics, 35(22), 19999-20013. Lien externe
Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (2019). Why some carbons may or may not graphitize? The point of view of thermodynamics. Carbon, 149, 419-435. Disponible
Gheribi, A. E., & Chartrand, P. (2019). Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals. Scientific Reports, 9(1), 7113 (9 pages). Disponible
Smith, A. L., Verleg, M. N., Vlieland, J., de Haas, D., Ocadiz-Flores, J. A., Martin, P., Rothe, J., Dardenne, K., Salanne, M., Gheribi, A. E., Capelli, E., van Eijck, L., & Konings, R. J. M. (2019). In situ high-temperature EXAFS measurements on radioactive and air-sensitive molten salt materials. Journal of Synchrotron Radiation, 26(Pt .1), 124-136. Disponible
Gheribi, A. E., Fini, M. F., Rivoaland, L., Lombard, D., Soucy, G., & Chartrand, P. (2019). Cathodic Wear by Delamination of the Al₄C₃ Layer During Aluminium Electrolysis. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 51(1), 161-172. Lien externe
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Coherent phase equilibria of systems with large lattice mismatch. Physical Chemistry Chemical Physics, 21(20), 10808-10822. Lien externe
Smith, A. L., Ocadiz-Flores, J. A., Capelli, E., Alders, D., van Oudenaren, G., Gheribi, A. E., Martin, P., Rothe, J., Dardenne, K., & Konings, R. J. M. (mai 2019). Coupled structural and thermodynamic modelling of molten salt fuel properties [Présentation]. Dans 11th International Symposium on Molten Salts (MS11 2019), Orléans, France. Non disponible
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Modeling of coherent phase transformation and particle size effect in LiFePO4 cathode material and application to the charging/discharging process. Electrochimica Acta, 295, 632-644. Lien externe
Phan, A. T., Gheribi, A. E., & Chartrand, P. (2019). Modelling of Phase Equilibria of LiFePO₄-FePO₄ Olivine Join for Cathode Material. Canadian Journal of Chemical Engineering, 97(8), 2224-2233. Lien externe
Gheribi, A. E., Vermot des Roches, M., & Chartrand, P. (2019). Modelling the surface tension of liquid metals as a function of oxygen content. Journal of Non-Crystalline Solids, 505, 154-161. Lien externe
Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (avril 2019). Pourquoi certains carbones graphitent ou ne graphitent pas? Une interprétation phénoménologique inspirée de la thermodynamique [Résumé]. Colloque annuel de la Société francophone d’étude des carbones (SFEC 2019), Samatan, France. Lien externe
Gheribi, A. E., Serva, A., Salanne, M., Machado, K., Zanghi, D., Bessada, C., & Chartrand, P. (2019). Study of the Partial Charge Transport Properties in the Molten Alumina via Molecular Dynamics. ACS Omega, 4(5), 8022-8030. Lien externe
Jofré, J., Gheribi, A. E., & Harvey, J.-P. (juin 2019). Toward the Generation of an Engineering- type Thermodynamic Database for Aluminum Heat Treatable Alloys Based on Fully Self-consistent DFT- based Thermodynamic Properties [Affiche]. 48th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2019), Singapore. Lien externe
Vermot des Roches, M., Gheribi, A. E., & Chartrand, P. (2019). A versatile multicomponent database for the surface tension of liquid metals. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 65, 326-339. Lien externe
Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (juillet 2019). Why some carbons may or may not graphitize? Interpreting graphitization data with a phenomenological model inspired from thermodynamics [Présentation]. Dans The World's Carbon Conference (CARBON 2019), Lexington, KY, USA. Non disponible
LeBreux, M., Gheribi, A. E., Desilets, M., Soucy, G., Chartrand, P., Pelletier, P., Bilodeau, J.-F., & Lombard, D. (octobre 2018). 3D flow of deposits on the surface of cathode blocks in an aluminium electrolysis cell [Communication écrite]. 36th International ICSOBA, Belem, Brazil. Lien externe
Gheribi, A. E. (mai 2018). Determination of optimal compositions and properties for phase change materials. Case study: Solar electric generating station IX [Présentation]. Dans Optimization Days 2018, Montréal, QC. Non disponible
Poncsák, S., Gheribi, A. E., Kiss, L. I., Chartrand, P., Guérard, S., & Bilodeau, J. F. (2018). Experimental determination of the thermal diffusivity of industrial grade synthetic cryolite between 200 and 850 °C and comparison with theoretical predictions. Journal of Thermal Analysis and Calorimetry, 135(4), 2059-2068. Lien externe
Smith, A. L., Gheribi, A. E., Ocadiz-Flores, J. A., Capelli, E., Alders, D., van Oudenaren, G., Martin, P., & Rothe, J. (octobre 2018). A new approach for comprehensive modelling of molten salt properties [Présentation]. Dans Thorium Energy Conference 2018, Brussels, Belgium. Non disponible
Gheribi, A. E., Machado, K., Zanghi, D., Bessada, C., Salanne, M., & Chartrand, P. (2018). On the determination of ion transport numbers in molten salts using molecular dynamics. Electrochimica Acta, 274, 266-273. Lien externe
Gheribi, A. E., Pelton, A., Bélisle, E., Le Digabel, S., & Harvey, J.-P. (2018). On the prediction of low-cost high entropy alloys using new thermodynamic multi-objective criteria. ACTA Materialia, 161, 73-82. Lien externe
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mai 2018). Prédiction de la formation de CO2/CO par le processus anodique primaire durant l'électrolyse de l'aluminium par un modèle électro-thermodynamique pour les cristallites de coke [Présentation]. Dans 86e Congrès de l'ACFAS, Chicoutimi, QC. Non disponible
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018). Prediction of CO2/CO formation from the (primary) anode process in aluminium electrolysis using an electrothermodynamic model (for coke crystallites). Electrochimica Acta, 259, 916-929. Lien externe
Pilote, L., Gheribi, A. E., & Chartrand, P. (2018). Study of the solubility of Pb, Bi and Sn in aluminum by mixed CALPHAD/DFT methods: Applicability to aluminum machining alloys. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 61, 275-287. Lien externe
Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (juin 2018). Thermodynamic and physical-property models for the production of primary aluminum [Présentation]. Dans Canadian Materials Science Conference, Edmonton, Canada. Non disponible
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018). Thermodynamic description of graphitizable carbons and the irreversible graphitization process. Carbon, 132, 556-564. Lien externe
Gheribi, A. E., & Lee, J. J. (juillet 2017). Calculation of thermo-chemical equilibrium using phase diagram methods [Communication écrite]. 26th International Colloquium on the Dynamics of Explosions and Reactive Systems (ICDERS 2017), Boston, MA. Lien externe
Gheribi, A. E., & Chartrand, P. (juin 2017). DFT/CALPHAD mixed method for the prediction of the thermal transport properties within aluminium electrolysis cells [Présentation]. Dans 46th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2017), Saint-Malo, France. Non disponible
Gheribi, A. E., Poncsák, S., Kiss, L., Guérard, S., Bilodeau, J.-F., & Chartrand, P. (2017). Experimental determination of the thermal diffusivity of α-cryolite up to 810 K and comparison with first principles predictions. ACS Omega, 2(5), 2224-2230. Lien externe
Gheribi, A. E., Pelton, A., Chartrand, P., & Bale, C. W. (octobre 2017). Optimization of Compositions and Physical Properties of Salt Systems for Latent Heat Storage in Thermal Solar Energy Applications [Présentation]. Dans Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA. Non disponible
Gheribi, A. E., & Chartrand, P. (2017). Thermal Conductivity of Compounds Present in the Side Ledge in Aluminium Electrolysis Cells. JOM, 69(11), 2412-2417. Lien externe
Gheribi, A. E., Poncsák, S., Guérard, S., Bilodeau, J.-F., Kiss, L., & Chartrand, P. (2017). Thermal conductivity of the sideledge in aluminium electrolysis cells: Experiments and numerical modelling. Journal of Chemical Physics, 146(11), 10 pages. Lien externe
Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (juin 2017). Thermodynamic and physical-property models for the production of primary aluminum [Présentation]. Dans CALPHAD XLVI, Saint-Malo, France. Non disponible
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (octobre 2017). A Thermodynamic Model for Carbonaceous Electrodes [Présentation]. Dans Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA. Non disponible
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (juillet 2017). Thermodynamic rationalization of graphitization: the critical temperature threshold [Présentation]. Dans The World's Carbon Conference (CARBON 2017), Melbourne, Australia. Non disponible
Seifitokaldani, A., Gheribi, A. E., Phan, A. T., Chartrand, P., & Dollé, M. (2016). Important variation in vibrational properties of LiFePO4 and FePO4 induced by magnetism. Scientific Reports, 6(1), 1-10. Disponible
Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). FactSage thermochemical software and databases, 2010–2016. Calphad, 54, 35-53. Disponible
Gheribi, A. E., Salanne, M., & Chartrand, P. (2016). Formulation of Temperature-Dependent Thermal Conductivity of NaF, -Na3AlF6, Na5Al3F14, and Molten Na3AlF6Supported by Equilibrium Molecular Dynamics and Density Functional Theory. Journal of Physical Chemistry C, 120(40), 22873-22886. Lien externe
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2016). The graphitization temperature threshold analyzed through a second-order structural transformation. Carbon, 109, 896-908. Lien externe
Gheribi, A. E., Harvey, J.-P., Chartrand, P., Bélisle, E., Bale, C. W., & Pelton, A. (février 2016). Identifying optimal conditions for alloys and process design using the Mesh Adaptive Direct Search algorithm [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Non disponible
Seifitokaldani, A., Gheribi, A. E., & Dollé, M. (2016). On the limitation of density functional theory (DFT) for the treatment of the anharmonicity in FCC metals. Solid State Communications, 247, 78-81. Lien externe
Gheribi, A. E., & Chartrand, P. (février 2016). Prediction of the thermal conductivity of oxide microstructures by a new self consistent thermodynamics method supported by first principle calculations [Présentation]. Dans 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Non disponible
Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I. H., Kang, Y. B., Melançon, J., Pelton, A., Petersen, S., Robelin, C., Sangster, J., Spencer, P., & Van Ende, M. A. (2016). Reprint of: FactSage thermochemical software and databases, 2010-2016 (vol 54, pg 35, 2016). CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 55(1), 1-19. Lien externe
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mai 2016). Le seuil de graphitisation traité par une approche structurelle et thermodynamique [Présentation]. Dans Colloque annuel de la Société Francophone d'Études des Carbones (SFEC 2016), Carqueiranne, France.. Non disponible
Ouzilleau, P., Gheribi, A. E., Lindberg, D. K., & Chartrand, P. (2016). A Size-Dependent Thermodynamic Model for Coke Crystallites: The Carbon-Sulfur System Up to 2500 K (2227 °C). Metallurgical and Materials Transactions B, 47(3), 1817-1831. Lien externe
Thibodeau, É., Gheribi, A. E., & In-Ho, J. (2016). A structural molar volume model for oxide melts part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 melts-binary systems. Metallurgical and Materials Transactions B, 47(2), 1147-1164. Lien externe
Thibodeau, É., Gheribi, A. E., & Jung, I.-H. (2016). A Structural Molar Volume Model for Oxide Melts Part II: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Ternary and Multicomponent Systems. Metallurgical and Materials Transactions B, 47(2), 1165-1186. Lien externe
Thibodeau, É., Gheribi, A. E., & In-Ho, J. (2016). A structural molar volume model for oxide melts Part III: Fe oxide-containing melts. Metallurgical and Materials Transactions B, 47(2), 1187-1202. Lien externe
Gheribi, A. E., & Chartrand, P. (2016). Thermal conductivity of molten salt mixtures: theoretical model supported by equilibrium molecular dynamics simulations. Journal of Chemical Physics, 144(8), 12 pages. Lien externe
Gheribi, A. E., Autissier, E., Gardarein, J. L., & Richou, M. (2016). Thermal transport properties of multiphase sintered metals microstructures. The copper-tungsten system: Experiments and modeling. Journal of Applied Physics, 119(14), 8 pages. Lien externe
Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. Thermophysical Properties of LiFePO4: DFT+U Computations Combined with a Thermodynamically Self-Consistent (TSC) Method [Résumé]. 229th ECS Meeting, San Diego, CA, USA. Publié dans ECS Meeting Abstracts, MA2016-01(4). Lien externe
Seifitokaldani, A., Gheribi, A. E., Dolle, M., & Chartrand, P. (2016). Thermophysical properties of titanium and vanadium nitrides: Thermodynamically self-consistent approach coupled with density functional theory. Journal of Alloys and Compounds, 662, 240-251. Lien externe
Gheribi, A. E., Harvey, J.-P., Belisle, E., Robelin, C., Chartrand, P., Pelton, A., Bale, C. W., & Le Digabel, S. (2016). Use of a biobjective direct search algorithm in the process design of material science applications. Optimization and Engineering, 17(1), 27-45. Lien externe
Gheribi, A. E., Seifitokaldani, A., Wu, P., & Chartrand, P. (2015). An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li₂O and K₂O. Journal of Applied Physics, 118(14), 145101 (5 pages). Lien externe
Gheribi, A. E. (juin 2015). Alloy and Process Design using the Mesh Adaptive Direct Search Algorithm [Présentation]. Dans CORS/INFORMS International (CORS/INFORMS 2015), Montréal, QC. Non disponible
Gheribi, A. E., & Chartrand, P. (2015). Effect of grain boundaries on the lattice thermal transport properties of insulating materials: A predictive model. Journal of the American Ceramic Society, 98(3), 888-897. Lien externe
Belisle, E., Huang, Z., Le Digabel, S., & Gheribi, A. E. (2015). Evaluation of machine learning interpolation techniques for prediction of physical properties. Computational Materials Science, 98(1), 170-177. Lien externe
Gheribi, A. E., Gardarein, J. L., Autissier, E., Rigollet, F., Richou, M., & Chartrand, P. (2015). Experimental study of the thermal conductivity of sintered tungsten: Evidence of a critical behaviour with porosity. Applied Physics Letters, 107(9), 094102 (4 pages). Lien externe
Gheribi, A. E., & Chartrand, P. (mai 2015). Prediction of the thermal conductivity of ionic materials by a new self consistent thermodynamics method [Présentation]. Dans 44th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2015), Loano, Italy. Non disponible
Harvey, J.-P., Gheribi, A. E., & Asimow, P. D. (2015). A self-consistent optimization of multicomponent solution properties: Ab initio molecular dynamic simulations and the MgO-SiO₂ miscibility gap under pressure. Geochimica Et Cosmochimica Acta, 161, 146-165. Lien externe
Ouzilleau, P., Gheribi, A. E., Eriksson, G., Lindberg, D. K., & Chartrand, P. (2015). A size-dependent thermodynamic model for coke crystallites: The carbon-hydrogen system up to 2500 K. Carbon, 85, 99-118. Lien externe
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (juillet 2015). A size-dependent thermodynamic model for graphitic crystallites integrating the binary interactions of sulfur/hydrogen with carbon up to 2500 K [Présentation]. Dans The World's Carbon Conference (CARBON 2015), Dresden, Germany. Non disponible
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (mars 2015). A size-dependent thermodynamic model for the carbon-hydrogen-sulfur system in coke crystallites: Application to the production of pre-baked carbon anodes [Présentation]. Dans 144th TMS Annual Meeting & Exhibition (TMS 2015), Orlando, FL, USA. Lien externe
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2015). A Size-Dependent Thermodynamic Model for the Carbon/Hydrogen/Sulfur System in Coke Crystallites: Application to the Production of Pre-Baked Carbon Anodes. Dans Light Metals 2015 (p. 1067-1072). Lien externe
Gheribi, A. E., Salanne, M., & Chartrand, P. (2015). Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics. Journal of Chemical Physics, 142(12). Lien externe
Gheribi, A. E., Lee, J. J., & Thibault, P. (2015). A thermodynamic approach for identifying the conditions for gasless detonation. Materials Chemistry and Physics, 149-150, 27-33. Lien externe
Seifitokaldani, A., & Gheribi, A. E. (2015). Thermodynamically self-consistent method to predict thermophysical properties of ionic oxides. Computational Materials Science, 108(Part A.), 17-26. Lien externe
Bélisle, E., Huang, Z., & Gheribi, A. E. (juin 2015). Truth Discovery in Material Science Databases [Communication écrite]. 26th Australasian Database Conference (ADC 2015), Melbourne, Australia. Lien externe
Gheribi, A. E., Gardarein, J.-L., Rigollet, F., & Chartrand, P. (2014). Evidence of second order transition induced by the porosity in the thermal conductivity of sintered metals. APL Materials, 2(7), 076105 (6 pages). Disponible
Gheribi, A. E., Corradini, D., Dewan, L., Chartrand, P., Simon, C., Madden, P. A., & Salanne, M. (2014). Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles. Molecular Physics, 112(9-10), 1306-1312. Lien externe
Harvey, J.-P., & Gheribi, A. E. (2014). Process simulation and control optimization of a blast furnace using classical thermodynamics combined to a direct search algorithm. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science, 45(1), 307-327. Lien externe
Bale, C. W., Bélisle, E., Chartrand, P., Decterov, S., Eriksson, G., Gheribi, A. E., Hack, K., Jung, I.-H., Melançon, J., Pelton, A., Petersen, S., & Robelin, C. (février 2014). Recent developments in FactSage thermochemical software and databases [Communication écrite]. Celebrating the Megascale: Extraction and Processing Division Symposium on Pyrometallurgy in Honor of David G.C. Robertson - TMS 2014 143rd Annual Meeting and Exhibition, Orlando, Florida. Lien externe
Gheribi, A. E., Torres, J. A., & Chartrand, P. (2014). Recommended values for the thermal conductivity of molten salts between the melting and boiling points. Solar Energy Materials and Solar Cells, 126, 11-25. Lien externe
Belisle, E., Huang, Z., & Gheribi, A. E. (juillet 2014). Scalable gaussian process regression for prediction of material properties [Communication écrite]. 25th Australasian Database Conference (ADC 2014), Brisbane, QLD, Australia. Lien externe
Gheribi, A. E., Poncsák, S., St-Pierre, R., Kiss, L. I., & Chartrand, P. (2014). Thermal conductivity of halide solid solutions: Measurement and prediction. Journal of Chemical Physics, 141(10), 12-12. Lien externe
Robelin, C., Gheribi, A. E., & Chartrand, P. (juillet 2014). Thermodynamic models for chloro-fluoride and fluoro-oxide reciprocal salt systems of industrial interest [Présentation]. Dans EUCHEM Conference on Molten Salts and Ionic Liquids XXV, Tallinn, Estonia. Non disponible
Zhou, T. H., Gheribi, A. E., & Zurob, H. S. (2013). Austenite particle coarsening and delta-ferrite grain growth in model Fe-Al alloy. Canadian Metallurgical Quarterly, 52(1), 90-97. Lien externe
Mostafa, A. O., Gheribi, A. E., Kevorkov, D., Mezbahul-Islam, M., & Medraj, M. (2013). Experimental investigation and first-principle calculations coupled with thermodynamic modeling of the Mn-Nd phase diagram. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 42, 27-37. Lien externe
Gheribi, A. E., Le Digabel, S., Audet, C., & Chartrand, P. (2013). Identifying optimal conditions for magnesium based alloy design using the Mesh Adaptive Direct Search algorithm. Thermochimica Acta, 559, 107-110. Lien externe
Gheribi, A. E., & Chartrand, P. An in silico method to predict the thermal conductivity in insulating crystals [Communication écrite]. 31st International Thermal Conductivity Conference (Thermal Conductivity 31), Chicoutimi, Québec, Canada. Lien externe
Arzpeyma, G., Gheribi, A. E., & Medraj, M. (2013). On the prediction of Gibbs free energy of mixing of binary liquid alloys. Journal of Chemical Thermodynamics, 57, 82-91. Lien externe
Gheribi, A. E., & Chartrand, P. (2012). Application of the CALPHAD method to predict the thermal conductivity in dielectric and semiconductor crystals. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 39, 70-79. Lien externe
Gheribi, A. E., Audet, C., Le Digabel, S., Belisle, E., Bale, C. W., & Pelton, A. (2012). Calculating Optimal Conditions for Alloy and Process Design Using Thermodynamic and Property Databases, the Fact Sage Software and the Mesh Adaptive Direct Search Algorithm. Calphad-Computer Coupling of Phase Diagrams and Thermochemistry, 36, 135-143. Lien externe
Harvey, J.-P., & Gheribi, A. E. (2012). Comment on "Rapid Chemical and Topological Ordering in Supercooled Liquid Cu46zr54" [Commentaire ou lettre]. Physical Review B, 85(6), 3-3. Lien externe
Gheribi, A. E., Chartrand, P., Belisle, E., Bale, C. W., Jin, L., & Pelton, A. (juillet 2012). Identifying optimal conditions for Mg alloy design using thermodynamic and properties databases, the Factsage software and the mesh adaptive direct searches algorithm [Communication écrite]. 9th International Conference on Magnesium Alloys and Their Applications (Mg2012), Vancouver, Canada. Non disponible
Mostafa, A. O., Kevorkov, D., & Gheribi, A. E. (juillet 2012). The Mg-Mn-Nd System: Experimental investigation coupled with thermodynamic modeling [Communication écrite]. 9th International Conference on Magnesium Alloys and Their Applications (Mg2012), Vancouver, Canada. Non disponible
Robelin, C., Gheribi, A. E., & Chartrand, P. (août 2012). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Affiche]. EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales. Non disponible
Robelin, C., Gheribi, A. E., & Chartrand, P. (août 2012). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Présentation]. Dans EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales. Non disponible
Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2012). On the determination of the glass forming ability of AlxZr 1-x alloys using molecular dynamics, Monte Carlo simulations, and classical thermodynamics. Journal of Applied Physics, 112(7). Lien externe
Kang, Y.-B., Jin, L., Chartrand, P., Gheribi, A. E., Bai, K., & Wu, P. (2012). Thermodynamic evaluations and optimizations of binary Mg-light Rare Earth (La, Ce, Pr, Nd, Sm) systems. CALPHAD: Computer Coupling of Phase Diagrams and Thermochemistry, 38, 100-116. Lien externe
Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2012). Thermodynamic Integration Based on Classical Atomistic Simulations to Determine the Gibbs Energy of Condensed Phases: Calculation of the Aluminum-Zirconium System. Physical Review B, 86(22). Lien externe
Harvey, J.-P., Gheribi, A. E., & Chartrand, P. (2011). Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations. Journal of Chemical Physics, 135(8). Lien externe
Gheribi, A. E., Robelin, C., Le Digabel, S., Audet, C., & Pelton, A. (2011). Calculating all local minima on liquidus surfaces using the FactSage software and databases and the Mesh Adaptive Direct Search algorithm. Journal of Chemical Thermodynamics, 43(9), 1323-1330. Lien externe
Harvey, J.-P., & Gheribi, A. E. (2011). Comment on ``Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures'' [Commentaire ou lettre]. Physical Review. B, Condensed Matter and Materials Physics, 84(9), 096102-096102. Lien externe
Renaud, E., Robelin, C., Gheribi, A. E., & Chartrand, P. (2011). Thermodynamic evaluation and optimization of the Li, Na, K, Mg, Ca, Sr // F, Cl reciprocal system. Journal of Chemical Thermodynamics, 43(8), 1286-1298. Lien externe
Gheribi, A. E. (2009). Formulation of the thermal volume consistent with Swenson's concept of thermal pressure. Physics of the Earth and Planetary Interiors, 177(1-2), 59-64. Lien externe
Gheribi, A. E. (2009). Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential. Materials Chemistry and Physics, 116(2), 489-496. Lien externe
Gheribi, A. E., Rogez, J., & Mathieu, J. C. (2008). Formulation of the integral Gibbs energy of crystalline elements versus temperature and mechanical stress. Calphad, 32(2), 315-319. Lien externe
Hassam, S., & Gheribi, A. E. (2007). Enthalpies of mixing of Au–Pb and Ag–Au–Pb liquid alloys at 973K. Thermochimica Acta, 464(1), 1-6. Lien externe
Gheribi, A. E., Rogez, J., Marinelli, F., Mathieu, J. C., & Record, M. C. (2007). Introduction of pressure in binary phase diagram calculations. Application to the Ag–Cu system. Calphad, 31(3), 380-389. Lien externe
Gheribi, A. E., Roussel, J.-M., & Rogez, J. (2007). Phenomenological Hugoniot curves for transition metals up to 1 TPa. Journal of Physics: Condensed Matter, 19(47), 9 pages. Lien externe
Gheribi, A. E., Rogez, J., & Mathieu, J. C. (2006). Magnetic contribution to the Gibbs energy of elements versus temperature and pressure. Journal of Physics and Chemistry of Solids, 67(8), 1719-1723. Lien externe
