Search Results - "Gheribi, A. E"

Modeling solid-state detonation based on thermochemical equilibrium calculations by Gheribi, A. E, Lee, J. J

“…The present work describes the application of a recently developed Calculation of Phase Diagrams (CALPHAD) method to perform condensed-phase thermochemical…”
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Experimental determination of the thermal diffusivity of industrial grade synthetic cryolite between 200 and 850 °C and comparison with theoretical predictions by Poncsák, S., Gheribi, A. E., Kiss, L. I., Chartrand, P., Guérard, S., Bilodeau, J. F.

“…Molten cryolite mixed with some additives is used as solvent of alumina by aluminium producers. Cryolite represents the dominating compounds in the wall…”
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FactSage thermochemical software and databases, 2010–2016 by Bale, C.W., Bélisle, E., Chartrand, P., Decterov, S.A., Eriksson, G., Gheribi, A.E., Hack, K., Jung, I.-H., Kang, Y.-B., Melançon, J., Pelton, A.D., Petersen, S., Robelin, C., Sangster, J., Spencer, P., Van Ende, M-A.

“…The FactSage computer package consists of a series of information, calculation and manipulation modules that enable one to access and manipulate compound and…”
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Introduction of pressure in binary phase diagram calculations. Application to the Ag–Cu system by Gheribi, A.E., Rogez, J., Marinelli, F., Mathieu, J.C., Record, M.C.

“…Experimental phase diagrams are difficult to obtain at high pressures and high temperatures. A way to estimate these diagrams is to calculate them by…”
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Formulation of the integral Gibbs energy of crystalline elements versus temperature and mechanical stress by Gheribi, A.E., Rogez, J., Mathieu, J.C.

“…Phase equilibria calculations require the knowledge of the whole Gibbs energy functions referred to standard elements. Nevertheless, in mechanical calculations…”
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Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system by Harvey, J.-P., Gheribi, A. E., Chartrand, P.

“…In this work, an in silico procedure to generate a fully coherent set of thermodynamic properties obtained from classical molecular dynamics (MD) and Monte…”
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Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles by Gheribi, A.E., Corradini, D., Dewan, L., Chartrand, P., Simon, C., Madden, P.A., Salanne, M.

“…Molten fluorides are known to show favourable thermophysical properties which make them good candidate coolants for nuclear fission reactors. Here we…”
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Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential by Gheribi, A.E.

“…Large scale molecular dynamics simulations with two different embedded atom method (MEAM) potentials are applied to investigate the structural and dynamic…”
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Reprint of: FactSage thermochemical software and databases, 2010–2016 by Bale, C.W., Bélisle, E., Chartrand, P., Decterov, S.A., Eriksson, G., Gheribi, A.E., Hack, K., Jung, I.-H., Kang, Y.-B., Melançon, J., Pelton, A.D., Petersen, S., Robelin, C., Sangster, J., Spencer, P., Van Ende, M-A.

“…The FactSage computer package consists of a series of information, calculation and manipulation modules that enable one to access and manipulate compound and…”
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Experimental investigation and first-principle calculations coupled with thermodynamic modeling of the Mn–Nd phase diagram by Mostafa, A.O., Gheribi, A.E., Kevorkov, D., Mezbahul-Islam, Md, Medraj, M.

“…The complete Mn–Nd phase diagram was established experimentally by means of key samples and diffusion couple techniques. The phase transformation temperatures,…”
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A new approach for coupled modelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF2 by Smith, A.L., Capelli, E., Konings, R.J.M., Gheribi, A.E.

“…The (Li,Be)Fx fluoride salt is an ionic liquid with complex non-ideal thermodynamic behaviour due to the formation of short-range order. In this work, we…”
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On the prediction of low-cost high entropy alloys using new thermodynamic multi-objective criteria by Gheribi, A.E., Pelton, A.D., Bélisle, E., Le Digabel, S., Harvey, J.-P.

“…In an attempt to identify new low-cost metallic materials with interesting thermo-physical properties from the Fe-Cr-Mn-Ni-V-Ti-Al- (Co-Mo) system, we present…”
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New insights and coupled modelling of the structural and thermodynamic properties of the LiF-UF4 system by Ocádiz-Flores, J.A., Gheribi, A.E., Vlieland, J., Dardenne, K., Rothe, J., Konings, R.J.M., Smith, A.L.

“…LiF-UF4 is a key binary system for molten fluoride reactor technology, which has not been scrutinized as thoroughly as the closely related LiF-ThF4 system. The…”
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Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles by Gheribi, A. E, Corradini, D, Dewan, L, Chartrand, P, Simon, C, Madden, P. A, Salanne, M

“…Mol. Phys., 112, 1305-1312, 2014 Molten fluorides are known to show favorable thermophysical properties which make them good candidate coolants for nuclear…”
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Calculating optimal conditions for alloy and process design using thermodynamic and property databases, the FactSage software and the Mesh Adaptive Direct Search algorithm by Gheribi, A.E., Audet, C., Le Digabel, S., Bélisle, E., Bale, C.W., Pelton, A.D.

“…During alloy and process design, it is often desired to identify regions of design or process variables for which certain calculated functions have optimal…”
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Comment on ``Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures by Harvey, J.-P., Gheribi, A. E.

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Comment on “Rapid chemical and topological ordering in supercooled liquid Cu 46 Zr 54 ” by Harvey, J.-P., Gheribi, A. E.

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