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Modeling solid-state detonation based on thermochemical equilibrium calculations

Combustion science and technology, 2023-05, Vol.195 (7), p.1-6

2023

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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

Journal of thermal analysis and calorimetry, 2019-02, Vol.135 (4), p.2059-2068

2019

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FactSage thermochemical software and databases, 2010–2016

Calphad, 2016-09, Vol.54, p.35-53

2016

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Examination of the short-range structure of molten salts: ThF4, UF4, and related alkali actinide fluoride systems

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (18), p.11091-11103

2021

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Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles

Molecular physics, 2014-05, Vol.112 (9-10), p.1305-1312

2014

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Examination of the short-range structure of molten salts: ThF 4 , UF 4 , and related alkali actinide fluoride systems

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (18), p.11091-11103

2021

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Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential

Materials chemistry and physics, 2009-08, Vol.116 (2), p.489-496

Gheribi, A.E.

2009

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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

Physical review. B, Condensed matter and materials physics, 2012-12, Vol.86 (22), Article 224202

2012

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Introduction of pressure in binary phase diagram calculations. Application to the Ag–Cu system

Calphad, 2007-09, Vol.31 (3), p.380-389

2007

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Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations

The Journal of chemical physics, 2011-08, Vol.135 (8), p.084502-084502-13

2011

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Formulation of the integral Gibbs energy of crystalline elements versus temperature and mechanical stress

Calphad, 2008-06, Vol.32 (2), p.315-319

2008

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Reprint of: FactSage thermochemical software and databases, 2010–2016

Calphad, 2016-12, Vol.55, p.1-19

2016

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Experimental investigation and first-principle calculations coupled with thermodynamic modeling of the Mn–Nd phase diagram

Calphad, 2013-09, Vol.42, p.27-37

2013

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Austenite particle coarsening and delta-ferrite grain growth in model Fe-Al alloy

Canadian metallurgical quarterly, 2013-01, Vol.52 (1), p.90-97

2013

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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

Journal of molecular liquids, 2020-02, Vol.299, p.112165, Article 112165

2020

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On the prediction of low-cost high entropy alloys using new thermodynamic multi-objective criteria

Acta materialia, 2018-12, Vol.161, p.73-82

2018

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New insights and coupled modelling of the structural and thermodynamic properties of the LiF-UF4 system

Journal of molecular liquids, 2021-06, Vol.331, p.115820, Article 115820

2021

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Examination of the short-range structure of molten salts: ThF, UF, and related alkali actinide fluoride systems

Physical chemistry chemical physics : PCCP, 2021-05, Vol.23 (18), p.1191-1113

2021

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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

Calphad, 2012-03, Vol.36, p.135-143

2012

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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

Physical review. B, Condensed matter and materials physics, 2011-09, Vol.84 (9), Article 096102

2011

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Comment on “Rapid chemical and topological ordering in supercooled liquid Cu 46 Zr 54 ”

Physical review. B, Condensed matter and materials physics, 2012-02, Vol.85 (6), Article 066101

2012

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Why some carbons may or may not graphitize? The point of view of thermodynamics

Carbon (New York), 2019-08, Vol.149, p.419-435

2019

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On the determination of ion transport numbers in molten salts using molecular dynamics

Electrochimica acta, 2018-06, Vol.274, p.266-273

2018

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Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals

Scientific reports, 2019-05, Vol.9 (1), p.7113-7113, Article 7113

2019

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Recommended values for the thermal conductivity of molten salts between the melting and boiling points

Solar energy materials and solar cells, 2014-07, Vol.126, p.11-25

2014

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Modeling solid-state detonation based on thermochemical equilibrium calculations

Experimental determination of the thermal diffusivity of industrial grade synthetic cryolite between 200 and 850 °C and comparison with theoretical predictions

FactSage thermochemical software and databases, 2010–2016

Examination of the short-range structure of molten salts: ThF4, UF4, and related alkali actinide fluoride systems

Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles

Examination of the short-range structure of molten salts: ThF 4 , UF 4 , and related alkali actinide fluoride systems

Molecular dynamics study of stable and undercooled liquid zirconium based on MEAM interatomic potential

Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: Calculation of the aluminum-zirconium system

Introduction of pressure in binary phase diagram calculations. Application to the Ag–Cu system

Accurate determination of the Gibbs energy of Cu-Zr melts using the thermodynamic integration method in Monte Carlo simulations

Formulation of the integral Gibbs energy of crystalline elements versus temperature and mechanical stress

Reprint of: FactSage thermochemical software and databases, 2010–2016

Experimental investigation and first-principle calculations coupled with thermodynamic modeling of the Mn–Nd phase diagram

Austenite particle coarsening and delta-ferrite grain growth in model Fe-Al alloy

A new approach for coupled modelling of the structural and thermo-physical properties of molten salts. Case of a polymeric liquid LiF-BeF2

On the prediction of low-cost high entropy alloys using new thermodynamic multi-objective criteria

New insights and coupled modelling of the structural and thermodynamic properties of the LiF-UF4 system

Examination of the short-range structure of molten salts: ThF, UF, and related alkali actinide fluoride systems

Calculating optimal conditions for alloy and process design using thermodynamic and property databases, the FactSage software and the Mesh Adaptive Direct Search algorithm

Comment on ``Determination of the bulk melting temperature of nickel using Monte Carlo simulations: Inaccuracy of extrapolation from cluster melting temperatures

Comment on “Rapid chemical and topological ordering in supercooled liquid Cu 46 Zr 54 ”

Why some carbons may or may not graphitize? The point of view of thermodynamics

On the determination of ion transport numbers in molten salts using molecular dynamics

Temperature and oxygen adsorption coupling effects upon the surface tension of liquid metals

Recommended values for the thermal conductivity of molten salts between the melting and boiling points

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