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Andrés-Thió, N., Audet, C., Diago, M., Gheribi, A. E., Le Digabel, S., Lebeuf, X., Lemyre Garneau, M., & Tribes, C. (2025). Solar: a solar thermal power plant simulator for blackbox optimization benchmarking. Optimization and Engineering, 47 pages. External link
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). External link
Alarie, S., Audet, C., Gheribi, A. E., Kokkolaras, M., & Le Digabel, S. (2020). Two decades of blackbox optimization applications. (Technical Report n° G-2020-58). External link
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. External link
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. External link
Bale, C. W., Bélisle, È., 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. Available
Bale, C. W., Bélisle, È., 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. External link
Bélisle, È., 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. External link
Bélisle, E., Huang, Z., & Gheribi, A. E. (2015, June). Truth Discovery in Material Science Databases [Paper]. 26th Australasian Database Conference (ADC 2015), Melbourne, Australia. External link
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. (2014, February). Recent developments in FactSage thermochemical software and databases [Paper]. 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. External link
Bélisle, È., Huang, Z., & Gheribi, A. E. (2014, July). Scalable gaussian process regression for prediction of material properties [Paper]. 25th Australasian Database Conference (ADC 2014), Brisbane, QLD, Australia. External link
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). Available
Castillo-Sánchez, J.-R., Gheribi, A. E., Lafaye, P., Salloum-Abou-Jaoude, G., & Harvey, J.-P. (2023, June). Investigation of silicon sublattice substitution within (Al,Si)3Zr intermetallics via DFT simulations [Paper]. 16th International Conference on Modelling of Casting Welding and Advanced Solidification Processes (MCWASP 2023), Banff, Alberta, Canada (8 pages). Published in IOP Conference Series: Materials Science and Engineering, 1281(1). Available
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. Available
Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (2018, June). Thermodynamic and physical-property models for the production of primary aluminum [Presentation]. In Canadian Materials Science Conference, Edmonton, Canada. Unavailable
Chartrand, P., Gheribi, A. E., Wang, K., Ouzilleau, P., & Robelin, C. (2017, June). Thermodynamic and physical-property models for the production of primary aluminum [Presentation]. In CALPHAD XLVI, Saint-Malo, France. Unavailable
Gheribi, A. E., Phan, A. T., Yang, H., Gallagher, R. C., & Chartrand, P. (2024). The role of the local structure on the thermal transport within dissociated and complexed Molten salt mixtures. Journal of Molecular Liquids, 408, 125239 (15 pages). External link
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. External link
Gheribi, A. E., & Lee, J. J. (2023). Modeling solid-state detonation based on thermochemical equilibrium calculations. Combustion Science and Technology, 195(7), 1-6. External link
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). External link
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). External link
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. External link
Gheribi, A. E., Harvey, J.-P., & Pelton, A. (2021, December). Prediction of optimal high entropy alloys using new thermodynamic multi-objective criteria [Presentation]. In 2nd World Congress on High Entropy Alloys (HEA 2021), Charlotte, NC, USA. Unavailable
Gheribi, A. E., & Chartrand, P. (2021, June). Principles Simulations for the Prediction and Modelling of the Thermal Properties in Complex Solid Salt Systems [Paper]. 21st Symposium on Thermophysical Properties, Boulder, CO, USA. Unavailable
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). External link
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. External link
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). Available
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. External link
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. External link
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. External link
Gheribi, A. E. (2018, May). Determination of optimal compositions and properties for phase change materials. Case study: Solar electric generating station IX [Presentation]. In Optimization Days 2018, Montréal, QC. Unavailable
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. External link
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. External link
Gheribi, A. E., & Lee, J. J. (2017, July). Calculation of thermo-chemical equilibrium using phase diagram methods [Paper]. 26th International Colloquium on the Dynamics of Explosions and Reactive Systems (ICDERS 2017), Boston, MA. External link
Gheribi, A. E., & Chartrand, P. (2017, June). DFT/CALPHAD mixed method for the prediction of the thermal transport properties within aluminium electrolysis cells [Presentation]. In 46th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2017), Saint-Malo, France. Unavailable
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. External link
Gheribi, A. E., Pelton, A., Chartrand, P., & Bale, C. W. (2017, October). Optimization of Compositions and Physical Properties of Salt Systems for Latent Heat Storage in Thermal Solar Energy Applications [Presentation]. In Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA. Unavailable
Gheribi, A. E., & Chartrand, P. (2017). Thermal Conductivity of Compounds Present in the Side Ledge in Aluminium Electrolysis Cells. JOM, 69(11), 2412-2417. External link
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. External link
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. External link
Gheribi, A. E., Harvey, J.-P., Chartrand, P., Bélisle, E., Bale, C. W., & Pelton, A. (2016, February). Identifying optimal conditions for alloys and process design using the Mesh Adaptive Direct Search algorithm [Presentation]. In 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Unavailable
Gheribi, A. E., & Chartrand, P. (2016, February). Prediction of the thermal conductivity of oxide microstructures by a new self consistent thermodynamics method supported by first principle calculations [Presentation]. In 145th TMS Annual Meeting & Exhibition (TMS 2016), Nashville, TN, USA. Unavailable
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. External link
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. External link
Gheribi, A. E., Harvey, J.-P., Bélisle, È., 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. External link
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). External link
Gheribi, A. E. (2015, June). Alloy and Process Design using the Mesh Adaptive Direct Search Algorithm [Presentation]. In CORS/INFORMS International (CORS/INFORMS 2015), Montréal, QC. Unavailable
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. External link
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). External link
Gheribi, A. E., & Chartrand, P. (2015, May). Prediction of the thermal conductivity of ionic materials by a new self consistent thermodynamics method [Presentation]. In 44th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2015), Loano, Italy. Unavailable
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). External link
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. External link
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). Available
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. External link
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. External link
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. External link
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. External link
Gheribi, A. E., & Chartrand, P. An in silico method to predict the thermal conductivity in insulating crystals [Paper]. 31st International Thermal Conductivity Conference (Thermal Conductivity 31), Chicoutimi, Québec, Canada. External link
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. External link
Gheribi, A. E., Audet, C., Le Digabel, S., Belisle, È., 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. External link
Gheribi, A. E., Chartrand, P., Belisle, E., Bale, C. W., Jin, L., & Pelton, A. (2012, July). Identifying optimal conditions for Mg alloy design using thermodynamic and properties databases, the Factsage software and the mesh adaptive direct searches algorithm [Paper]. 9th International Conference on Magnesium Alloys and Their Applications (Mg2012), Vancouver, Canada. Unavailable
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
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 [Presentation]. In 50th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2023), Boston, MA, USA. Unavailable
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). Available
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. External link
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. External link
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. External link
Harvey, J.-P., & Gheribi, A. E. (2012). Comment on "Rapid Chemical and Topological Ordering in Supercooled Liquid Cu46zr54" [Discussion or Letter]. Physical Review B, 85(6), 3-3. External link
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). External link
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). External link
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). External link
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'' [Discussion or Letter]. Physical Review. B, Condensed Matter and Materials Physics, 84(9), 096102-096102. External link
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. External link
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). External link
Jofré, J., Gheribi, A. E., & Harvey, J.-P. (2019, June). Toward the Generation of an Engineering- type Thermodynamic Database for Aluminum Heat Treatable Alloys Based on Fully Self-consistent DFT- based Thermodynamic Properties [Poster]. 48th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry (CALPHAD 2019), Singapore. External link
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. External link
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. External link
Letessier, J., Gardarein, J.-L., Vanson, J.-M., Duguay, C., Rigollet, F., Gheribi, A. E., & Vicente, J. (2022, May). Influence des propriétés des grains sur la conductivité thermique d'un lit de poudre d'alumine α-Al2O3 [Paper]. 30e Congrès Français de Thermique (Congrès annuel de la Société française de thermique 2022), Valenciennes, France (8 pages). External link
LeBreux, M., Gheribi, A. E., Desilets, M., Soucy, G., Chartrand, P., Pelletier, P., Bilodeau, J.-F., & Lombard, D. (2018, October). 3D flow of deposits on the surface of cathode blocks in an aluminium electrolysis cell [Paper]. 36th International ICSOBA, Belem, Brazil. External link
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. External link
Mostafa, A. O., Kevorkov, D., & Gheribi, A. E. (2012, July). The Mg-Mn-Nd System: Experimental investigation coupled with thermodynamic modeling [Paper]. 9th International Conference on Magnesium Alloys and Their Applications (Mg2012), Vancouver, Canada. Unavailable
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. External link
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. External link
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. Available
Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (2019, April). Pourquoi certains carbones graphitent ou ne graphitent pas? Une interprétation phénoménologique inspirée de la thermodynamique [Abstract]. Colloque annuel de la Société francophone d’étude des carbones (SFEC 2019), Samatan, France. External link
Ouzilleau, P., Gheribi, A. E., Chartrand, P., Soucy, G., & Monthioux, M. (2019, July). Why some carbons may or may not graphitize? Interpreting graphitization data with a phenomenological model inspired from thermodynamics [Presentation]. In The World's Carbon Conference (CARBON 2019), Lexington, KY, USA. Unavailable
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018, May). 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 [Presentation]. In 86e Congrès de l'ACFAS, Chicoutimi, QC. Unavailable
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. External link
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2018). Thermodynamic description of graphitizable carbons and the irreversible graphitization process. Carbon, 132, 556-564. External link
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2017, October). A Thermodynamic Model for Carbonaceous Electrodes [Presentation]. In Materials Science & Technology 2017 (MS&T 2017), Pittsburgh, PA, USA. Unavailable
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2017, July). Thermodynamic rationalization of graphitization: the critical temperature threshold [Presentation]. In The World's Carbon Conference (CARBON 2017), Melbourne, Australia. Unavailable
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2016). The graphitization temperature threshold analyzed through a second-order structural transformation. Carbon, 109, 896-908. External link
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2016, May). Le seuil de graphitisation traité par une approche structurelle et thermodynamique [Presentation]. In Colloque annuel de la Société Francophone d'Études des Carbones (SFEC 2016), Carqueiranne, France.. Unavailable
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. External link
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. External link
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2015, July). A size-dependent thermodynamic model for graphitic crystallites integrating the binary interactions of sulfur/hydrogen with carbon up to 2500 K [Presentation]. In The World's Carbon Conference (CARBON 2015), Dresden, Germany. Unavailable
Ouzilleau, P., Gheribi, A. E., & Chartrand, P. (2015, March). A size-dependent thermodynamic model for the carbon-hydrogen-sulfur system in coke crystallites: Application to the production of pre-baked carbon anodes [Presentation]. In 144th TMS Annual Meeting & Exhibition (TMS 2015), Orlando, FL, USA. External link
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. In Light Metals 2015 (pp. 1067-1072). External link
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). External link
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
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. Available
Ruszczynski, L., Gheribi, A. E., & Smith, A. L. Coupled modelling of structural, thermodynamic and physicochemical properties of NaF-KF-UF4 fuel salt [Presentation]. In NuFuel 2023, Marseille, France. Unavailable
Roger, T., Dion, L., Kiss, L., Chartrand, P., Phan, A. T., Gheribi, A. E., Guérard, S., & Bilodeau, J.-F. (2023, November). Modeling of the Distribution of Alumina Aggregates in an Electrolysis Cell based on a Three-Layer Method [Presentation]. In 41st International Conference and Exhibition of ICSOBA (ICSOBA 2023), Dubai, United Arab Emirates. Unavailable
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). External link
Robelin, C., Gheribi, A. E., & Chartrand, P. (2014, July). Thermodynamic models for chloro-fluoride and fluoro-oxide reciprocal salt systems of industrial interest [Presentation]. In EUCHEM Conference on Molten Salts and Ionic Liquids XXV, Tallinn, Estonia. Unavailable
Robelin, C., Gheribi, A. E., & Chartrand, P. (2012, August). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Poster]. EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales. Unavailable
Robelin, C., Gheribi, A. E., & Chartrand, P. (2012, August). Models for the thermodynamic properties and physical properties (density, viscosity, electrical conductivity) of molten salt systems : perspectives for ionic liquids [Presentation]. In EUCHEM Conference on Molten Salts and Ionic Liquids XXIV, Celtic Manor, Wales. Unavailable
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. External link
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. Available
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). Available
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). Available
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. Available
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. (2019, May). Coupled structural and thermodynamic modelling of molten salt fuel properties [Presentation]. In 11th International Symposium on Molten Salts (MS11 2019), Orléans, France. Unavailable
Smith, A. L., Gheribi, A. E., Ocadiz-Flores, J. A., Capelli, E., Alders, D., van Oudenaren, G., Martin, P., & Rothe, J. (2018, October). A new approach for comprehensive modelling of molten salt properties [Presentation]. In Thorium Energy Conference 2018, Brussels, Belgium. Unavailable
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. Available
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. External link
Seifitokaldani, A., Gheribi, A. E., Dollé, M., & Chartrand, P. Thermophysical Properties of LiFePO4: DFT+U Computations Combined with a Thermodynamically Self-Consistent (TSC) Method [Abstract]. 229th ECS Meeting, San Diego, CA, USA. Published in ECS Meeting Abstracts, MA2016-01(4). External link
Seifitokaldani, A., Gheribi, A. E., Dollé, 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. External link
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. External link
Thio, N. A., Audet, C., Diago Martinez, M., Gheribi, A. E., Le Digabel, S., Lebeuf, X., Lemyre-Garneau, M., & Tribes, C. (2024). solar: A solar thermal power plant simulator for blackbox optimization benchmarking. (Technical Report n° G-2024-37). External link
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. (2023, November). Experimental insight and modelling of the NaCl-ThCl4-PuCl3 fuel salt properties [Presentation]. In NuFuel 2023, Marseille, France. Unavailable
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
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. External link
