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On Structural Rearrangements during the Vitrification of Molten Copper
We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi polyhedrons to reveal structural changes at the glass transition. We confirm that the disordered congruent bond lattice of Cu loses its rigidity above the glass transition temperature (T(g)) in line with Kantor–We...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8877703/ https://www.ncbi.nlm.nih.gov/pubmed/35207852 http://dx.doi.org/10.3390/ma15041313 |
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author | Ojovan, Michael I. Louzguine-Luzgin, Dmitri V. |
author_facet | Ojovan, Michael I. Louzguine-Luzgin, Dmitri V. |
author_sort | Ojovan, Michael I. |
collection | PubMed |
description | We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi polyhedrons to reveal structural changes at the glass transition. We confirm that the disordered congruent bond lattice of Cu loses its rigidity above the glass transition temperature (T(g)) in line with Kantor–Webman theorem due to percolation via configurons (broken Cu-Cu chemical bonds). We reveal that the amorphous Cu has the T(g) = 794 ± 10 K at the cooling rate q = 1 × 10(13) K/s and that the determination of T(g) based on analysis of first sharp diffraction minimum (FDSM) is sharper compared with classical Wendt–Abraham empirical criterion. |
format | Online Article Text |
id | pubmed-8877703 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-88777032022-02-26 On Structural Rearrangements during the Vitrification of Molten Copper Ojovan, Michael I. Louzguine-Luzgin, Dmitri V. Materials (Basel) Article We utilise displacement analysis of Cu-atoms between the chemical bond-centred Voronoi polyhedrons to reveal structural changes at the glass transition. We confirm that the disordered congruent bond lattice of Cu loses its rigidity above the glass transition temperature (T(g)) in line with Kantor–Webman theorem due to percolation via configurons (broken Cu-Cu chemical bonds). We reveal that the amorphous Cu has the T(g) = 794 ± 10 K at the cooling rate q = 1 × 10(13) K/s and that the determination of T(g) based on analysis of first sharp diffraction minimum (FDSM) is sharper compared with classical Wendt–Abraham empirical criterion. MDPI 2022-02-10 /pmc/articles/PMC8877703/ /pubmed/35207852 http://dx.doi.org/10.3390/ma15041313 Text en © 2022 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 Ojovan, Michael I. Louzguine-Luzgin, Dmitri V. On Structural Rearrangements during the Vitrification of Molten Copper |
title | On Structural Rearrangements during the Vitrification of Molten Copper |
title_full | On Structural Rearrangements during the Vitrification of Molten Copper |
title_fullStr | On Structural Rearrangements during the Vitrification of Molten Copper |
title_full_unstemmed | On Structural Rearrangements during the Vitrification of Molten Copper |
title_short | On Structural Rearrangements during the Vitrification of Molten Copper |
title_sort | on structural rearrangements during the vitrification of molten copper |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8877703/ https://www.ncbi.nlm.nih.gov/pubmed/35207852 http://dx.doi.org/10.3390/ma15041313 |
work_keys_str_mv | AT ojovanmichaeli onstructuralrearrangementsduringthevitrificationofmoltencopper AT louzguineluzgindmitriv onstructuralrearrangementsduringthevitrificationofmoltencopper |