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Applications of computational thermodynamics
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Structures.ORCID iD: 0000-0002-4521-6089
Univ Manchester, Manchester, Lancs, England.;UMIST Mat Sci Ctr, Manchester, Lancs, England..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Structures.ORCID iD: 0000-0003-1644-1997
NIST, Gaithersburg, MD 20899 USA..
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2021 (English)In: International Journal of Materials Research - Zeitschrift für Metallkunde, ISSN 1862-5282, E-ISSN 2195-8556, Vol. 93, no 2, p. 128-142Article in journal (Refereed) Published
Abstract [en]

The major tools used in applying computational thermodynamics to various problems in materials science are briefly presented and several practical examples are given as illustrations. Solutions to industrial problems, pertaining to the processing of and microstructure development in several different materials, are shown with answers given in graphical form. Solutions to kinetic problems linked with diffusion are also treated. The last section is devoted to the problem of interfacing between thermodynamic computations and applications oriented software.

Place, publisher, year, edition, pages
WALTER DE GRUYTER GMBH , 2021. Vol. 93, no 2, p. 128-142
Keywords [en]
Computational thermodynamics, Phase diagram calculation, Phase equilibrium
National Category
Computer Sciences
Identifiers
URN: urn:nbn:se:kth:diva-307342DOI: 10.3139/ijmr-2002-0026ISI: 000735000000007OAI: oai:DiVA.org:kth-307342DiVA, id: diva2:1631417
Note

QC 20220124

Available from: 2022-01-24 Created: 2022-01-24 Last updated: 2022-06-25Bibliographically approved

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Ågren, JohnHöglund, Lars

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