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A note on models for phases with order/disorder transitions in thermodynamic software and databases

Journal of mining and metallurgy. Section B, Metallurgy, 2017, Vol.53 (3), p.173-177

Sundman, Bo

2017

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An assessment of the entire Al―Fe system including D03 ordering

Acta materialia, 2009-06, Vol.57 (10), p.2896-2908

2009

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OpenCalphad - a free thermodynamic software

Integrating materials and manufacturing innovation, 2015-01, Vol.4 (1), p.1-15

2015

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The OpenCalphad thermodynamic software interface

Computational materials science, 2016-12, Vol.125, p.188-196

2016

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Calculations of thermophysical properties of cubic carbides and nitrides using the Debye–Grüneisen model

Acta materialia, 2007-02, Vol.55 (4), p.1215-1226

2007

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Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study

Calphad, 2022-06, Vol.77 (N/A), p.102426, Article 102426

2022

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Phase equilibria in the ternary B-Ce-Cu system with a thermodynamic reassessment of the binary B-Ce system

Thermochimica acta, 2017-11, Vol.657, p.185-196

2017

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Thermo-Calc & DICTRA, computational tools for materials science

Calphad, 2002-06, Vol.26 (2), p.273-312

2002

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Perspectives on point defect thermodynamics

Physica Status Solidi. B: Basic Solid State Physics, 2014-01, Vol.251 (1), p.97-129

2014

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Thermodynamic Assessment of the CaO-Al2O3-SiO2 System

Journal of the American Ceramic Society, 2006-01, Vol.89 (1), p.298-308

2006

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Assessments of molar volume and thermal expansion for selected bcc, fcc and hcp metallic elements

Calphad, 2005-03, Vol.29 (1), p.68-89

2005

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An improved method to evaluate the “Joint Oxyde-Gaine” formation in (U,Pu)O2 irradiated fuels using the GERMINAL V2 code coupled to Calphad thermodynamic computations

EPJ nuclear sciences & technologies, 2020-01, Vol.6, p.47

2020

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Thermodynamic Assessment of the Aluminum Corner of the Al-Fe-Mn-Si System

Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2010-09, Vol.41 (9), p.2208-2215

2010

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Thermodynamic assessment of the Al-Ni system

Journal of alloys and compounds, 1997-01, Vol.247 (1-2), p.20-30

1997

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Calphad Modeling of LRO and SRO Using ab initio Data

Metals (Basel ), 2020-07, Vol.10 (8), p.998

2020

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Modeling multiple defects in ionic phases like UO2± using the compound energy formalism

Acta materialia, 2011-09, Vol.59 (15), p.6039-6047

2011

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Thermophysical Properties: Key Input for ICME and MG

Journal of phase equilibria and diffusion, 2017-10, Vol.38 (5), p.601-602

2017

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Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation

Acta materialia, 2015-04, Vol.88, p.156-169

2015

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Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

Acta materialia, 2021-08, Vol.215, p.117053, Article 117053

2021

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Thermodynamic investigations on materials corrosion in some industrial and environmental processes

Journal of environmental sciences (China), 2011-06, Vol.23 (SUPPL.), p.S1-S7

2011

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A Review of Calphad Modeling of Ordered Phases

Journal of phase equilibria and diffusion, 2018-10, Vol.39 (5), p.678-693

2018

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Algorithms useful for calculating multi-component equilibria, phase diagrams and other kinds of diagrams

Calphad, 2021-12, Vol.75, p.102330, Article 102330

2021

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Diffusion-driven microstructure evolution in OpenCalphad

Computational materials science, 2020-04, Vol.175, p.109236, Article 109236

2020

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Diffusion simulation based on atomistic model and mobility determination via Kirkendall experiment for multi-component systems

Scripta materialia, 2024-03, Vol.241, p.115884, Article 115884

2024

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Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels

ISIJ International, 2007, Vol.47(1), pp.163-171

2007

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A note on models for phases with order/disorder transitions in thermodynamic software and databases

An assessment of the entire Al―Fe system including D03 ordering

OpenCalphad - a free thermodynamic software

The OpenCalphad thermodynamic software interface

Calculations of thermophysical properties of cubic carbides and nitrides using the Debye–Grüneisen model

Modeling the thermodynamics of the FeTi hydrogenation under para-equilibrium: An ab-initio and experimental study

Phase equilibria in the ternary B-Ce-Cu system with a thermodynamic reassessment of the binary B-Ce system

Thermo-Calc & DICTRA, computational tools for materials science

Perspectives on point defect thermodynamics

Thermodynamic Assessment of the CaO-Al2O3-SiO2 System

Assessments of molar volume and thermal expansion for selected bcc, fcc and hcp metallic elements

An improved method to evaluate the “Joint Oxyde-Gaine” formation in (U,Pu)O2 irradiated fuels using the GERMINAL V2 code coupled to Calphad thermodynamic computations

Thermodynamic Assessment of the Aluminum Corner of the Al-Fe-Mn-Si System

Thermodynamic assessment of the Al-Ni system

Calphad Modeling of LRO and SRO Using ab initio Data

Modeling multiple defects in ionic phases like UO2± using the compound energy formalism

Thermophysical Properties: Key Input for ICME and MG

Incorporating the CALPHAD sublattice approach of ordering into the phase-field model with finite interface dissipation

Modeling precipitation kinetics for multi-phase and multi-component systems using particle size distributions via a moving grid technique

Thermodynamic investigations on materials corrosion in some industrial and environmental processes

A Review of Calphad Modeling of Ordered Phases

Algorithms useful for calculating multi-component equilibria, phase diagrams and other kinds of diagrams

Diffusion-driven microstructure evolution in OpenCalphad

Diffusion simulation based on atomistic model and mobility determination via Kirkendall experiment for multi-component systems

Thermodynamic Calculations on the Stability of Cu2S in Low Carbon Steels

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