CALPHAD stands for CALculation of PHAse Diagrams, a methodology introduced in 1970 by Larry Kaufman.[1][2][3] An equilibrium phase diagram is usually a diagram with axes for temperature and composition of a chemical system. It shows the regions where substances or solutions (i.e. phases) are stable and regions where two or more of them coexist. Phase diagrams are a very powerful tool for predicting the state of a system under different conditions and were initially a graphical method to rationalize experimental information on states of equilibrium. In complex systems, computational methods such as CALPHAD are employed to model thermodynamic properties for each phase and simulate multicomponent phase behavior.[4][5][6] The CALPHAD approach is based on the fact that a phase diagram is a manifestation of the equilibrium thermodynamic properties of the system, which are the sum of the properties of the individual phases.[7] It is thus possible to calculate a phase diagram by first assessing the thermodynamic properties of all the phases in a system.
^Kaufman L.; Bernstein H. (1970). Computer Calculation of Phase Diagrams. Academic Press NY. ISBN 0-12-402050-X.
^Fabrichnaya Olga B.; Saxena Surendra K.; Richet Pascal; Westrum Edgar F. Jr. (2004). Thermodynamic Data, Models, and Phase Diagrams in Multicomponent Oxide Systems : an Assessment for Materials and Planetary Scientists Based on Calorimetric, Volumetric and Phase Equilibrium Data. Berlin, Heidelberg: Springer Berlin Heidelberg. ISBN 9783662105047. OCLC 851391370.
^Kattner Ursula R. (2016). "The CALPHAD method and its role in material and process development". Tecnol. Metal. Mater. Miner. 13 (1): 3–15. doi:10.4322/2176-1523.1059. PMC 4912057. PMID 27330879.
^Lukas H. L.; Fries Suzana G.; Sundman Bo (2007). Computational thermodynamics: the CALPHAD method. Cambridge: Cambridge University Press. ISBN 978-0521868112. OCLC 663969016.
^Saunders N.; Miodownik P. (1998). Cahn R. W. (ed.). Calphad. Pergamon Materials Series, Vol 1. ISBN 0-08-042129-6.
^Y.Austin Chang (2004). "Phase diagram calculation: past, present and future". Progress in Materials Science. 49 (3): 313–345. doi:10.1016/S0079-6425(03)00025-2.
^Zi-Kui Liu; Wang Yi (2016). Computational thermodynamics of materials. Cambridge. ISBN 9780521198967. OCLC 960196125.{{cite book}}: CS1 maint: location missing publisher (link)
CALPHAD stands for CALculation of PHAse Diagrams, a methodology introduced in 1970 by Larry Kaufman. An equilibrium phase diagram is usually a diagram...
modeling of regular solutions, has evolved in more recent years to the CALPHAD (CALculation of PHAse Diagrams). This has been pioneered by American metallurgist...
2010). "Thermodynamic properties of cementite (Fe3C)". Calphad. 34 (1): 129–133. doi:10.1016/j.calphad.2010.01.004. Le Caer, G.; Dubois, J. M.; Pijolat, M...
may be relaxed when numerical techniques are used, such as those used in CALPHAD software packages, though these calculations rely on calculated equilibrium...
important and successful examples of ICME. The Calculation of PHase Diagram (CALPHAD) method does not generally speaking constitute a simulation, but the models...
SI Brochure Archived 2007-09-26 at the Wayback Machine "Absolute Zero". Calphad.com. Archived from the original on 2011-07-08. Retrieved 2010-09-16. Definition...
Maxwell sculpted that section on his 3D surface figure. Bioenergetics Calphad (CALculation of PHAse Diagrams) Critical point (thermodynamics) Electron...
properties of metals – treated by the discipline of solid state physics. Calphad methodology, able to produce Phase diagrams which is the basis for evaluating...
technology. Phase diagrams are used to describe the occurrence of mesophases. CALPHAD (method) Computational thermodynamics Congruent melting and incongruent...
developed for airframes and aircraft skins were put into use. Alloy broadening CALPHAD Ideal mixture List of alloys Callister, W.D. "Materials Science and Engineering:...
are some software codes that operate on different length scales such as: CALPHAD computational thermodynamics for prediction of equilibrium phase diagrams...
simulation web platform, provides GUI for Quantum Espresso, LAMMPS, and Open Calphad MBN Explorer and MBN Studio MD-kMC PARCAS – Open source molecular dynamics...
thermodynamics Thermochemistry Standard temperature and pressure Dortmund Data Bank CALPHAD (method) Barin, Ihsan (2004). Thermochemical Data of Pure Substances. Wiley-VCH...
different is there mixing in the thermodynamic sense.: 217–218 : 274, 516–517 CALPHAD Enthalpy of mixing Gibbs energy Partington (1949) cites Larmor (1929)....
Xu Zuyao, The stability of transition phases in Fe-Mn-Si based alloys, CALPHAD, Vol. 25 (2001), pp. 355-362. doi:10.1016/S0364-5916(01)00055-4 J. Charles...
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