A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains
A critical thermodynamic assessment of the metastable c-TiAlZrN coatings, which are reported to spinodally decompose into triple domains, i.e., c-TiN, c-AlN, and c-ZrN, was performed via the CALculation of PHAse Diagram (CALPHAD) technique based on the limited experimental data as well as t...
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doaj-ccb6c6aff7d642eb9f8bd00cc91d40352020-11-24T23:52:36ZengTechnical Faculty, BorJournal of Mining and Metallurgy. Section B: Metallurgy1450-53392217-71752017-01-01532859310.2298/JMMB161017001Z1450-53391700001ZA thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domainsZhou J.0Zhang L.1Chen L.2Du Y.3Liu Z.K.4Central South University, State Key Laboratory of Powder Metallurgy, Changsha, Hunan, China + Lanzhou Institute of Technology, Department of Material Engineering, Lanzhou, Gansu, ChinaCentral South University, State Key Laboratory of Powder Metallurgy, Changsha, Hunan, ChinaCentral South University, State Key Laboratory of Powder Metallurgy, Changsha, Hunan, ChinaCentral South University, State Key Laboratory of Powder Metallurgy, Changsha, Hunan, ChinaPennsylvania State University, Department of Materials Science and Engineering, University Park, USAA critical thermodynamic assessment of the metastable c-TiAlZrN coatings, which are reported to spinodally decompose into triple domains, i.e., c-TiN, c-AlN, and c-ZrN, was performed via the CALculation of PHAse Diagram (CALPHAD) technique based on the limited experimental data as well as the first-principles computed free energies. The metastable c-TiAlZrN coatings were modeled as a pseudo-ternary phase consisting of c-TiN, c-AlN and c-ZrN species, and described using the substitutional solution model. The thermodynamic descriptions for the three boundary binaries were directly taken from either the CALPHAD assessment or the first-principles results available in the literature except for a re-adjustment of the pseudo-binary c-AlN/c-ZrN system based on the experimental phase equilibria in the pseudo-ternary system. The good agreement between the calculated phase equilibria and the experimental data over the wide temperature range was obtained, validating the reliability of the presently obtained thermodynamic descriptions for the c-TiAlZrN system. Based on the present thermodynamic description, different phase diagrams and thermodynamic properties can be easily predicted. It is anticipated that the present thermodynamic description of the metastable c-TiAlZrN coatings can serve as the important input for the later quantitative description of the microstructure evolution during service life.http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391700001Z.pdfc-TiAlZrN coatingsMetastable phaseSpinodal decompositionCALPHAD |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Zhou J. Zhang L. Chen L. Du Y. Liu Z.K. |
spellingShingle |
Zhou J. Zhang L. Chen L. Du Y. Liu Z.K. A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains Journal of Mining and Metallurgy. Section B: Metallurgy c-TiAlZrN coatings Metastable phase Spinodal decomposition CALPHAD |
author_facet |
Zhou J. Zhang L. Chen L. Du Y. Liu Z.K. |
author_sort |
Zhou J. |
title |
A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains |
title_short |
A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains |
title_full |
A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains |
title_fullStr |
A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains |
title_full_unstemmed |
A thermodynamic description of metastable c-TiAlZrN coatings with triple spinodally decomposed domains |
title_sort |
thermodynamic description of metastable c-tialzrn coatings with triple spinodally decomposed domains |
publisher |
Technical Faculty, Bor |
series |
Journal of Mining and Metallurgy. Section B: Metallurgy |
issn |
1450-5339 2217-7175 |
publishDate |
2017-01-01 |
description |
A critical thermodynamic assessment of the metastable c-TiAlZrN coatings,
which are reported to spinodally decompose into triple domains, i.e., c-TiN,
c-AlN, and c-ZrN, was performed via the CALculation of PHAse Diagram
(CALPHAD) technique based on the limited experimental data as well as the
first-principles computed free energies. The metastable c-TiAlZrN coatings
were modeled as a pseudo-ternary phase consisting of c-TiN, c-AlN and c-ZrN
species, and described using the substitutional solution model. The
thermodynamic descriptions for the three boundary binaries were directly
taken from either the CALPHAD assessment or the first-principles results
available in the literature except for a re-adjustment of the pseudo-binary
c-AlN/c-ZrN system based on the experimental phase equilibria in the
pseudo-ternary system. The good agreement between the calculated phase
equilibria and the experimental data over the wide temperature range was
obtained, validating the reliability of the presently obtained thermodynamic
descriptions for the c-TiAlZrN system. Based on the present thermodynamic
description, different phase diagrams and thermodynamic properties can be
easily predicted. It is anticipated that the present thermodynamic
description of the metastable c-TiAlZrN coatings can serve as the important
input for the later quantitative description of the microstructure evolution
during service life. |
topic |
c-TiAlZrN coatings Metastable phase Spinodal decomposition CALPHAD |
url |
http://www.doiserbia.nb.rs/img/doi/1450-5339/2017/1450-53391700001Z.pdf |
work_keys_str_mv |
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