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An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys

In this paper, a general and effective strategy was first developed to maintain the CALPHAD atomic mobility database of multicomponent systems, based on the pragmatic numerical method and freely accessible HitDIC software, and then applied to update the atomic mobility descriptions of the hcp Mg–Al–...

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Detalles Bibliográficos
Autores principales: Cheng, Ting, Zhong, Jing, Zhang, Lijun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746026/
https://www.ncbi.nlm.nih.gov/pubmed/35009429
http://dx.doi.org/10.3390/ma15010283
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author Cheng, Ting
Zhong, Jing
Zhang, Lijun
author_facet Cheng, Ting
Zhong, Jing
Zhang, Lijun
author_sort Cheng, Ting
collection PubMed
description In this paper, a general and effective strategy was first developed to maintain the CALPHAD atomic mobility database of multicomponent systems, based on the pragmatic numerical method and freely accessible HitDIC software, and then applied to update the atomic mobility descriptions of the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems. A set of the self-consistent atomic mobility database of the hcp Mg–Al–Zn–Sn system was established following the new strategy presented. A comprehensive comparison between the model-predicted composition–distance profiles/inter-diffusivities in the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems from the presently updated atomic mobilities and those from the previous ones that used the traditional method indicated that significant improvement can be achieved utilizing the new strategy, especially in the cases with sufficient experimental composition–distance profiles and/or in higher-order systems. Furthermore, it is anticipated that the proposed strategy can serve as a standard for maintaining the CALPHAD atomic mobility database in different multicomponent systems.
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spelling pubmed-87460262022-01-11 An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys Cheng, Ting Zhong, Jing Zhang, Lijun Materials (Basel) Article In this paper, a general and effective strategy was first developed to maintain the CALPHAD atomic mobility database of multicomponent systems, based on the pragmatic numerical method and freely accessible HitDIC software, and then applied to update the atomic mobility descriptions of the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems. A set of the self-consistent atomic mobility database of the hcp Mg–Al–Zn–Sn system was established following the new strategy presented. A comprehensive comparison between the model-predicted composition–distance profiles/inter-diffusivities in the hcp Mg–Al–Zn, Mg–Al–Sn, and Mg–Al–Zn–Sn systems from the presently updated atomic mobilities and those from the previous ones that used the traditional method indicated that significant improvement can be achieved utilizing the new strategy, especially in the cases with sufficient experimental composition–distance profiles and/or in higher-order systems. Furthermore, it is anticipated that the proposed strategy can serve as a standard for maintaining the CALPHAD atomic mobility database in different multicomponent systems. MDPI 2021-12-31 /pmc/articles/PMC8746026/ /pubmed/35009429 http://dx.doi.org/10.3390/ma15010283 Text en © 2021 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
Cheng, Ting
Zhong, Jing
Zhang, Lijun
An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title_full An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title_fullStr An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title_full_unstemmed An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title_short An Effective Strategy to Maintain the CALPHAD Atomic Mobility Database of Multicomponent Systems and Its Application to Hcp Mg–Al–Zn–Sn Alloys
title_sort effective strategy to maintain the calphad atomic mobility database of multicomponent systems and its application to hcp mg–al–zn–sn alloys
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8746026/
https://www.ncbi.nlm.nih.gov/pubmed/35009429
http://dx.doi.org/10.3390/ma15010283
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