Computational Thermodynamics: The Calphad Method

By H. Lukas, S. Fries, B. Sundman, Frontmatter. 2007

1,171 citations recorded by the source corpus.

Subfields: Atmospheric Science, Mechanical Engineering

View Paper: https://www.semanticscholar.org/paper/f18c8e5970e47d3ea5079412c6e05bcdfc7f84da

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In Atmospheric Science

1. Zi-kui Liu
2. Daniel B. Miracle
3. Yuri Mishin
4. Oleg N. Senkov
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In Mechanical Engineering

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Citations in the corpus

• TCHEA1: A Thermodynamic Database Not Limited for “High Entropy” Alloys (2017, methodology): “The calculation of phase diagrams (CALPHAD) method has been widely and successfully employed in materials science and engineering for decades.([15,16]) With the CALPHAD approach, the integral Gibbs energy, including enthalpy or entropy, of each phase is thermodynamically modeled and evaluated as a f”
• The nucleation of Mo-rich Laves phase particles adjacent to M23C6 micrograin boundary carbides in 12% Cr tempered martensite ferritic steels (2015, methodology): “The CALPHAD method uses fitted model approximations for the Gibbs energies for specific phases [65–70].”
• Understanding the physical metallurgy of the CoCrFeMnNi high-entropy alloy: an atomistic simulation study (2018, methodology): “For this, we used the CALPHAD computational thermodynamic approach.(38) The software Thermo-Calc(39) and the thermodynamic database TCFE2000 and its upgraded version(40,41) have been used for thermodynamic calculations on HEAs.”
• The Thermal Stability of Molten Lithium–Sodium–Potassium Carbonate and the Influence of Additives on the Melting Point (2012, methodology): “Since the early 1990s, CSIRO has been developing a thermodynamic modeling software package called MPE using the CALPHAD method [7,8] for the calculation of multiphase equilibrium in high temperature systems.”
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009, background): “The history of CALPHAD was recently reviewed briefly by Spencer,([6]) and several books have been devoted completely or extensively to this topic.([40-42]) The CALPHAD approach is based on mathematically formulated models describing the thermodynamic properties of individual phases.”
• Atomistic modeling of interfaces and their impact on microstructure and properties (2010, methodology): “Hence, in the context of alloy design, first-principles thermodynamic and kinetic methods are often combined with CALPHAD (calculation of phase diagrams) approaches [92,93] to model complex multicomponent systems.”
• GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes (2012, background): “In this regard, existing LMA and GEM codes appear to behave very differently [2, 25, 27, 31, 34, 38, 50, 58].”
• Thermal effects on microstructural heterogeneity of Inconel 718 materials fabricated by electron beam melting (2014, methodology): “Simulation of solidification segregation37 was performed using the commercial software Thermocalc,38 which is based on the Calphadmethodology.39 The Scheil module of J. Mater.”
• A critical review of high entropy alloys and related concepts (2016, methodology): “A detailed account of the CALPHAD approach can be found elsewhere [41,176].”