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Assessment techniques, database design and software facilities for thermodynamics and diffusion

Schmid-Fetzer, R. and Andersson, D. and Chevalier, P.Y and Eleno, Luiz and Fabrichnaya, O. and Kattner, U.R and Sundman, Bo and Wang, C. and Watson, A. and Zabdyr, L. and Zinkevich, M. Assessment techniques, database design and software facilities for thermodynamics and diffusion. (2007) Calphad , vol. 3 (n° 1). pp. 38-52. ISSN 0364-5916

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Official URL: http://dx.doi.org/10.1016/j.calphad.2006.02.007

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.

Item Type:Article
Additional Information:This publication is available on http://www.sciencedirect.com/science/journal/03645916
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:Other partners > National Institute of Standards and Technology - NIST (USA)
French research institutions > Centre National de la Recherche Scientifique - CNRS
Other partners > University of Leeds (UNITED KINGDOM)
Other partners > Polish Academy of Sciences (POLAND)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT
Other partners > Institut National Polytechnique de Grenoble (FRANCE)
Université de Toulouse > Université Paul Sabatier-Toulouse III - UPS
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Other partners > Clausthal University of Technology (GERMANY)
Laboratory name:
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Deposited By:Thomas Bonnecarere

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