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- Schmid-Fetzer, R., et al.
(author)
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Assessment techniques, database design and software facilities for thermodynamics and diffusion
- 2007
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In: Calphad. - : Elsevier BV. - 0364-5916 .- 1873-2984. ; 31:1, s. 38-52
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Journal article (peer-reviewed)abstract
- The purpose of this article is to give a set of recommendations to producers of assessed thermodynamic data, who may be involved in either the critical evaluation of limited chemical systems or the creation and dissemination of larger thermodynamic databases. Also, it is hoped that reviewers and editors of scientific publications in this field will find some of the information useful. Good practice in the assessment process is essential, particularly as datasets from many different sources may be combined together into a single database. With this in mind, we highlight some problems that can arise during the assessment process and we propose a quality assurance procedure. It is worth mentioning at this point, that the provision of reliable assessed thermodynamic data relies heavily on the availability of high quality experimental information. The different software packages for thermodynamics and diffusion are described here only briefly.
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| 3. |
- Ågren, John, et al.
(author)
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Applications of computational thermodynamics
- 2002
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In: Zeitschrift für Metallkunde. - : Walter de Gruyter GmbH. - 0044-3093. ; 93:2, s. 128-142
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Journal article (peer-reviewed)abstract
- 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.
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| 4. |
- Ågren, John, et al.
(author)
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Applications of computational thermodynamics
- 2021
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In: International Journal of Materials Research - Zeitschrift für Metallkunde. - : WALTER DE GRUYTER GMBH. - 1862-5282 .- 2195-8556. ; 93:2, s. 128-142
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Journal article (peer-reviewed)abstract
- 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.
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