Can Empirical Biplots Predict High Entropy Oxide Phases?
High entropy oxides are entropy-stabilised oxides that adopt specific disordered structures due to entropy stabilisation. They are a new class of materials that utilises the high-entropy concept first discovered in metallic alloys. They can have interesting properties due to the interactions at the...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2021-11-01
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| Series: | Journal of Composites Science |
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| Online Access: | https://www.mdpi.com/2504-477X/5/12/311 |
| _version_ | 1797503416729075712 |
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| author | Zhaoyuan Leong Pratik Desai Nicola Morley |
| author_facet | Zhaoyuan Leong Pratik Desai Nicola Morley |
| author_sort | Zhaoyuan Leong |
| collection | DOAJ |
| description | High entropy oxides are entropy-stabilised oxides that adopt specific disordered structures due to entropy stabilisation. They are a new class of materials that utilises the high-entropy concept first discovered in metallic alloys. They can have interesting properties due to the interactions at the electronic level and can be combined with other materials to make composite structures. The design of new meta-materials that utilise this concept to solve real-world problems may be a possibility but further understanding of how their phase stabilisation is required. In this work, biplots of the composition’s mean electronegativity are plotted against the electron-per-atom ratio of the compounds. The test dataset accuracy in the resulting biplots improves from 78% to 100% when using atomic-number-per-atom <i>Z/a</i> ratios as a biplot parameter. Phase stability maps were constructed using a Voronoi tessellation. This can be of use in determining stability at composite material interfaces. |
| first_indexed | 2024-03-10T03:50:19Z |
| format | Article |
| id | doaj.art-fd80d570775842cc9ccb2ce9798e9b5a |
| institution | Directory Open Access Journal |
| issn | 2504-477X |
| language | English |
| last_indexed | 2024-03-10T03:50:19Z |
| publishDate | 2021-11-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Journal of Composites Science |
| spelling | doaj.art-fd80d570775842cc9ccb2ce9798e9b5a2023-11-23T08:59:15ZengMDPI AGJournal of Composites Science2504-477X2021-11-0151231110.3390/jcs5120311Can Empirical Biplots Predict High Entropy Oxide Phases?Zhaoyuan Leong0Pratik Desai1Nicola Morley2Department of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, UKPerlemax Limited, Sheffield S3 7HQ, UKDepartment of Materials Science and Engineering, University of Sheffield, Sheffield S1 3JD, UKHigh entropy oxides are entropy-stabilised oxides that adopt specific disordered structures due to entropy stabilisation. They are a new class of materials that utilises the high-entropy concept first discovered in metallic alloys. They can have interesting properties due to the interactions at the electronic level and can be combined with other materials to make composite structures. The design of new meta-materials that utilise this concept to solve real-world problems may be a possibility but further understanding of how their phase stabilisation is required. In this work, biplots of the composition’s mean electronegativity are plotted against the electron-per-atom ratio of the compounds. The test dataset accuracy in the resulting biplots improves from 78% to 100% when using atomic-number-per-atom <i>Z/a</i> ratios as a biplot parameter. Phase stability maps were constructed using a Voronoi tessellation. This can be of use in determining stability at composite material interfaces.https://www.mdpi.com/2504-477X/5/12/311high entropy oxidessemi empirical designmetamaterialsphase stability |
| spellingShingle | Zhaoyuan Leong Pratik Desai Nicola Morley Can Empirical Biplots Predict High Entropy Oxide Phases? Journal of Composites Science high entropy oxides semi empirical design metamaterials phase stability |
| title | Can Empirical Biplots Predict High Entropy Oxide Phases? |
| title_full | Can Empirical Biplots Predict High Entropy Oxide Phases? |
| title_fullStr | Can Empirical Biplots Predict High Entropy Oxide Phases? |
| title_full_unstemmed | Can Empirical Biplots Predict High Entropy Oxide Phases? |
| title_short | Can Empirical Biplots Predict High Entropy Oxide Phases? |
| title_sort | can empirical biplots predict high entropy oxide phases |
| topic | high entropy oxides semi empirical design metamaterials phase stability |
| url | https://www.mdpi.com/2504-477X/5/12/311 |
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