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Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction

M. Calvo-Dahlborg, Steve Brown

Journal of Alloys and Compounds, Volume: 724, Pages: 353 - 364

Swansea University Author: Steve Brown

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DOI (Published version): 10.1016/j.jallcom.2017.07.074

Abstract

The Hume-Rothery approach applied in terms of e/a to classify and design quasicrystals and BMG is revisited for the case of HEAs. The results were compared with other parameters used in the literature, namely VEC and delta. The Self-Organizing Map tool is used to classify the experimental results an...

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Published in: Journal of Alloys and Compounds
ISSN: 0925-8388
Published: 2017
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URI: https://cronfa.swan.ac.uk/Record/cronfa34581
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last_indexed 2023-02-09T03:42:25Z
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spelling 2023-02-08T12:44:03.5989029 v2 34581 2017-07-10 Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction 07a865adc76376646bc6c03a69ce35a9 Steve Brown Steve Brown true false 2017-07-10 FGSEN The Hume-Rothery approach applied in terms of e/a to classify and design quasicrystals and BMG is revisited for the case of HEAs. The results were compared with other parameters used in the literature, namely VEC and delta. The Self-Organizing Map tool is used to classify the experimental results and the experimental map is used to compare the predictions of phases and properties of compositions reported in the literature. According to the Hume-Rothery approach, e/a and the average radius can give a precise rule of thumb to identify the domain of stability of HEAs and to estimate the phases that may occur in the alloy: i) e/a< 1.65: fcc, ii) 1.65 < e/a < 2.05: mixed phases, iii) e/a > 2.05: bcc. Moreover, e/a is to be preferred to VEC to classify phases in HEAs. Self-organizing maps can be used to make interpolative predictions for new compositions of HEAs with suitable phases for specific properties. Thus, simple combination of e/a and r gives an accurate first estimation to identify compositions with simple phases giving simple diffraction patterns, thus true HEAs as opposed to other compositional domains where complex phases occur. Journal Article Journal of Alloys and Compounds 724 353 364 0925-8388 HEA; e/a; Phases; Self-organizing maps; Magnetic; Hume-Rothery 15 11 2017 2017-11-15 10.1016/j.jallcom.2017.07.074 COLLEGE NANME Science and Engineering - Faculty COLLEGE CODE FGSEN Swansea University 2023-02-08T12:44:03.5989029 2017-07-10T09:16:51.2979175 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering M. Calvo-Dahlborg 1 Steve Brown 2 0034581-10072017114134.pdf calvo-dahlborg2017.pdf 2017-07-10T11:41:34.5400000 Output 3096148 application/pdf Accepted Manuscript true 2018-07-10T00:00:00.0000000 true eng
title Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
spellingShingle Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
Steve Brown
title_short Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
title_full Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
title_fullStr Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
title_full_unstemmed Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
title_sort Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction
author_id_str_mv 07a865adc76376646bc6c03a69ce35a9
author_id_fullname_str_mv 07a865adc76376646bc6c03a69ce35a9_***_Steve Brown
author Steve Brown
author2 M. Calvo-Dahlborg
Steve Brown
format Journal article
container_title Journal of Alloys and Compounds
container_volume 724
container_start_page 353
publishDate 2017
institution Swansea University
issn 0925-8388
doi_str_mv 10.1016/j.jallcom.2017.07.074
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Mechanical Engineering
document_store_str 1
active_str 0
description The Hume-Rothery approach applied in terms of e/a to classify and design quasicrystals and BMG is revisited for the case of HEAs. The results were compared with other parameters used in the literature, namely VEC and delta. The Self-Organizing Map tool is used to classify the experimental results and the experimental map is used to compare the predictions of phases and properties of compositions reported in the literature. According to the Hume-Rothery approach, e/a and the average radius can give a precise rule of thumb to identify the domain of stability of HEAs and to estimate the phases that may occur in the alloy: i) e/a< 1.65: fcc, ii) 1.65 < e/a < 2.05: mixed phases, iii) e/a > 2.05: bcc. Moreover, e/a is to be preferred to VEC to classify phases in HEAs. Self-organizing maps can be used to make interpolative predictions for new compositions of HEAs with suitable phases for specific properties. Thus, simple combination of e/a and r gives an accurate first estimation to identify compositions with simple phases giving simple diffraction patterns, thus true HEAs as opposed to other compositional domains where complex phases occur.
published_date 2017-11-15T03:42:54Z
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score 11.035634

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