Change search
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
TCHEA1: A Thermodynamic Database Not Limited for "High Entropy'' Alloys
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering. Thermocalc Software AB, Rasundavagen 18A, S-16967 Solna, Sweden..ORCID iD: 0000-0002-8493-9802
Thermocalc Software AB, Rasundavagen 18A, S-16967 Solna, Sweden..
Thermocalc Software AB, Rasundavagen 18A, S-16967 Solna, Sweden..
2017 (English)In: Journal of Phase Equilibria and Diffusion, ISSN 1547-7037, Vol. 38, no 4, p. 353-368Article in journal (Refereed) Published
Abstract [en]

In this paper we report a thermodynamic database which was developed by using the CALPHAD approach. The TCHEA1 database includes 15 chemical elements (Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Ta, Ti, V, W and Zr). It is suitable for the study of Bcc and Fcc HEA systems. The database is constructed based on the thermodynamic assessment of all binary systems and many key ternary systems where almost all possible metastable and stable phases are considered. It is extensively demonstrated in the present work that TCHEA1 gives satisfactory prediction on the phase equilibria in various HEA systems (quaternary to ennead) and wide temperature ranges (liquidus to subsolidus). Thermodynamic stability calculations of simple solid solutions (Bcc and Fcc) and intermetallics (sigma, Laves, l-phase etc.) are validated against the available experimental information in as-cast or as-annealed state. Such CALPHAD database focusing on the modelling of Gibbs energy rather than entropy makes reliable predictions of thermodynamic equilibrium and phase transformation, no matter whether the alloy/system has high entropy or not. Cases with miscibility gap in liquid and solid solutions and second-order phase transition at low temperatures are demonstrated. With the volume data included, TCHEA1 is capable to predict the density and thermal expansion coefficient of HEAs as well. This thermodynamic database is also applicable in process simulations when used together with compatible kinetic databases.

Place, publisher, year, edition, pages
Springer, 2017. Vol. 38, no 4, p. 353-368
Keywords [en]
CALPHAD, computational thermodynamics, high-entropy alloys, phase diagram, solid solution
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-243522DOI: 10.1007/s11669-017-0570-7ISI: 000409078500002Scopus ID: 2-s2.0-85021837145OAI: oai:DiVA.org:kth-243522DiVA, id: diva2:1287017
Note

QC 20190208

Available from: 2019-02-08 Created: 2019-02-08 Last updated: 2019-02-08Bibliographically approved

Open Access in DiVA

No full text in DiVA

Other links

Publisher's full textScopus

Authority records BETA

Mao, Huahai

Search in DiVA

By author/editor
Mao, Huahai
By organisation
Materials Science and Engineering
Metallurgy and Metallic Materials

Search outside of DiVA

GoogleGoogle Scholar

doi
urn-nbn

Altmetric score

doi
urn-nbn
Total: 18 hits
CiteExportLink to record
Permanent link

Direct link
Cite
Citation style
  • apa
  • harvard1
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf