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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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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, 2022-03, Vol.236, p.1, Article 111478

2022

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A reliable framework to predict the temperature dependent thermal conductivity of multicomponent salt based PCMs in both solid and liquid state

Solar energy, 2022-02, Vol.233, p.309-325

2022

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Coherent phase equilibria of systems with large lattice mismatch

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (2), p.188-1822

2019

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Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulations

The Journal of chemical physics, 2016-02, Vol.144 (8), p.084506-084506

2016

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Effect of Grain Boundaries on the Lattice Thermal Transport Properties of Insulating Materials: A Predictive Model

Journal of the American Ceramic Society, 2015-03, Vol.98 (3), p.888-897

2015

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Thermodynamic description of graphitizable carbons and the irreversible graphitization process

Carbon (New York), 2018-06, Vol.132, p.556-564

2018

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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 : PCCP, 2022-09, Vol.24 (37), p.2265-22623

2022

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Prediction of CO2/CO formation from the (primary) anode process in aluminium electrolysis using an electrothermodynamic model (for coke crystallites)

Electrochimica acta, 2018-01, Vol.259, p.916-929

2018

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Modelling the electronic conduction in metals-molten salts mixtures. Application to cryolitic melts in Hall-Héroult cells

Journal of fluorine chemistry, 2020-09, Vol.237, p.109597, Article 109597

2020

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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 : PCCP, 2023-04, Vol.25 (15), p.10866-10884

2023

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Determination of optimal compositions and properties for phase change materials in a solar electric generating station

Solar energy materials and solar cells, 2020-06, Vol.210, p.110506, Article 110506

2020

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Mapping the Electronic Transference Number of Cryolitic Melts

Metallurgical and materials transactions. B, Process metallurgy and materials processing science, 2021-04, Vol.52 (2), p.586-589

2021

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Evaluation of machine learning interpolation techniques for prediction of physical properties

Computational materials science, 2015-02, Vol.98, p.170-177

2015

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Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

The Journal of chemical physics, 2015-03, Vol.142 (12), p.124109-124109

2015

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Thermodynamically self-consistent method to predict thermophysical properties of ionic oxides

Computational materials science, 2015-10, Vol.108, p.17-26

2015

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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, 2015-10, Vol.118 (14)

2015

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Modelling of phase equilibria of LiFePO4‐FePO4 olivine join for cathode material

Canadian journal of chemical engineering, 2019-08, Vol.97 (8), p.2224-2233

2019

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Thermal Conductivity of Compounds Present in the Side Ledge in Aluminium Electrolysis Cells

JOM (1989), 2017-11, Vol.69 (11), p.2412-2417

2017

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A size-dependent thermodynamic model for coke crystallites: The carbon-hydrogen system up to 2500 K

Carbon (New York), 2015-04, Vol.85, p.99-118

2015

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Study of the solubility of Pb, Bi and Sn in aluminum by mixed CALPHAD/DFT methods: Applicability to aluminum machining alloys

Calphad, 2018-06, Vol.61, p.275-287

2018

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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, 2014-02, Vol.45 (1), p.307-327

2014

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Thermal transport properties of multiphase sintered metals microstructures. The copper-tungsten system: Experiments and modeling

Journal of applied physics, 2016-04, Vol.119 (14)

2016

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A Size-Dependent Thermodynamic Model for Coke Crystallites: The Carbon-Sulfur System Up to 2500 K (2227 °C)

Metallurgical and materials transactions. B, Process metallurgy and materials processing science, 2016-06, Vol.47 (3), p.1817-1831

2016

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Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism

Scientific reports, 2016-09, Vol.6 (1), p.33033-33033, Article 33033

2016

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

A theoretical framework for reliable predictions of thermal conductivity of multicomponent molten salt mixtures: KCl-NaCl-MgCl2 as a case study

A reliable framework to predict the temperature dependent thermal conductivity of multicomponent salt based PCMs in both solid and liquid state

Coherent phase equilibria of systems with large lattice mismatch

Thermal conductivity of molten salt mixtures: Theoretical model supported by equilibrium molecular dynamics simulations

Effect of Grain Boundaries on the Lattice Thermal Transport Properties of Insulating Materials: A Predictive Model

Thermodynamic description of graphitizable carbons and the irreversible graphitization process

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

Prediction of CO2/CO formation from the (primary) anode process in aluminium electrolysis using an electrothermodynamic model (for coke crystallites)

Modelling the electronic conduction in metals-molten salts mixtures. Application to cryolitic melts in Hall-Héroult cells

On the exploration of the melting behavior of metallic compounds and solid solutions via multiple classical molecular dynamics approaches: application to Al-based systems

Determination of optimal compositions and properties for phase change materials in a solar electric generating station

Mapping the Electronic Transference Number of Cryolitic Melts

Evaluation of machine learning interpolation techniques for prediction of physical properties

Thermal transport properties of halide solid solutions: Experiments vs equilibrium molecular dynamics

Thermodynamically self-consistent method to predict thermophysical properties of ionic oxides

An ab initio method for the prediction of the lattice thermal transport properties of oxide systems: Case study of Li2O and K2O

Modelling of phase equilibria of LiFePO4‐FePO4 olivine join for cathode material

Thermal Conductivity of Compounds Present in the Side Ledge in Aluminium Electrolysis Cells

A size-dependent thermodynamic model for coke crystallites: The carbon-hydrogen system up to 2500 K

Study of the solubility of Pb, Bi and Sn in aluminum by mixed CALPHAD/DFT methods: Applicability to aluminum machining alloys

Process Simulation and Control Optimization of a Blast Furnace Using Classical Thermodynamics Combined to a Direct Search Algorithm

Thermal transport properties of multiphase sintered metals microstructures. The copper-tungsten system: Experiments and modeling

A Size-Dependent Thermodynamic Model for Coke Crystallites: The Carbon-Sulfur System Up to 2500 K (2227 °C)

Important Variation in Vibrational Properties of LiFePO4 and FePO4 Induced by Magnetism

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