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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...

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Autores principales: Ojovan, Michael I., Louzguine-Luzgin, Dmitri V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
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.
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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
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