CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films

The temperature-dependent composition and phase formation during the physical vapor deposition (PVD) of Mg-Ca thin films is modeled using a CALPHAD-based approach. Considering the Mg and Ca sublimation fluxes calculated based on the vapor pressure obtained by employing thermochemical equilibrium cal...

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Detalles Bibliográficos
Autores principales: Keuter, Philipp, to Baben, Moritz, Aliramaji, Shamsa, Schneider, Jochen M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10054182/
https://www.ncbi.nlm.nih.gov/pubmed/36984295
http://dx.doi.org/10.3390/ma16062417
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author Keuter, Philipp
to Baben, Moritz
Aliramaji, Shamsa
Schneider, Jochen M.
author_facet Keuter, Philipp
to Baben, Moritz
Aliramaji, Shamsa
Schneider, Jochen M.
author_sort Keuter, Philipp
collection PubMed
description The temperature-dependent composition and phase formation during the physical vapor deposition (PVD) of Mg-Ca thin films is modeled using a CALPHAD-based approach. Considering the Mg and Ca sublimation fluxes calculated based on the vapor pressure obtained by employing thermochemical equilibrium calculations, the experimentally observed synthesis-temperature trends in the thin-film composition and phase formation were reproduced. The model is a significant step towards understanding how synthesis parameters control composition and, therefore, phase formation in the PVD of metals with high vapor pressures.
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spelling pubmed-100541822023-03-30 CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films Keuter, Philipp to Baben, Moritz Aliramaji, Shamsa Schneider, Jochen M. Materials (Basel) Article The temperature-dependent composition and phase formation during the physical vapor deposition (PVD) of Mg-Ca thin films is modeled using a CALPHAD-based approach. Considering the Mg and Ca sublimation fluxes calculated based on the vapor pressure obtained by employing thermochemical equilibrium calculations, the experimentally observed synthesis-temperature trends in the thin-film composition and phase formation were reproduced. The model is a significant step towards understanding how synthesis parameters control composition and, therefore, phase formation in the PVD of metals with high vapor pressures. MDPI 2023-03-17 /pmc/articles/PMC10054182/ /pubmed/36984295 http://dx.doi.org/10.3390/ma16062417 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Keuter, Philipp
to Baben, Moritz
Aliramaji, Shamsa
Schneider, Jochen M.
CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title_full CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title_fullStr CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title_full_unstemmed CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title_short CALPHAD-Based Modelling of the Temperature–Composition–Structure Relationship during Physical Vapor Deposition of Mg-Ca Thin Films
title_sort calphad-based modelling of the temperature–composition–structure relationship during physical vapor deposition of mg-ca thin films
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10054182/
https://www.ncbi.nlm.nih.gov/pubmed/36984295
http://dx.doi.org/10.3390/ma16062417
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