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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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Detalles Bibliográficos
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
Descripción
Sumario: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.