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Phase-Field Modeling of Crystal Growth on the Surface and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions
[Image: see text] We performed modeling of two- and three-dimensional phase-field methods (2D- and 3D-PFM) for crystal growth on the surface and in the volume of Na(2)O–2CaO–3SiO(2) glass to investigate crystal growth behaviors under periodic temperature conditions. In this study, the periodic tempe...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2023
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878635/ https://www.ncbi.nlm.nih.gov/pubmed/36713699 http://dx.doi.org/10.1021/acsomega.2c06996 |
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author | Kawaguchi, Munemichi Uno, Masayoshi |
author_facet | Kawaguchi, Munemichi Uno, Masayoshi |
author_sort | Kawaguchi, Munemichi |
collection | PubMed |
description | [Image: see text] We performed modeling of two- and three-dimensional phase-field methods (2D- and 3D-PFM) for crystal growth on the surface and in the volume of Na(2)O–2CaO–3SiO(2) glass to investigate crystal growth behaviors under periodic temperature conditions. In this study, the periodic temperature conditions were set to 993 K for 180 s and 873 K for 252 s repeatedly. Phase-field mobilities, L(S) and L(B), were determined to compare with the experimental surface crystal growth rate, u(S), and the volume crystal growth rate, u(B), at 873–1023 K. 2D-PFM with L(S) and L(B) reproduced quantitatively the temperature dependence of u(S) and u(B). The parameters of L(S) and L(B) were consistent with those of 11 kinds of silicate melts, considering the surface and bulk diffusion coefficients. 3D-PFM simulated the single- and multinucleated crystal growth behaviors: the single-nucleated crystal simulation revealed that a ring was formed around the pre-existing crystal by heterogeneous nucleation. These radii obtained by 3D-PFM were comparable to the experimental values. The multinucleated crystal simulation revealed the contact and interaction between the crystals, e.g., new crystal rings could not be formed at the contacting region. In random nucleation, the 3D-PFM simulation demonstrated the crystal shape of the multinucleated crystals under periodic temperature conditions. It was comparable to the experimental photographs obtained by Yuritsyn et al. |
format | Online Article Text |
id | pubmed-9878635 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-98786352023-01-27 Phase-Field Modeling of Crystal Growth on the Surface and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions Kawaguchi, Munemichi Uno, Masayoshi ACS Omega [Image: see text] We performed modeling of two- and three-dimensional phase-field methods (2D- and 3D-PFM) for crystal growth on the surface and in the volume of Na(2)O–2CaO–3SiO(2) glass to investigate crystal growth behaviors under periodic temperature conditions. In this study, the periodic temperature conditions were set to 993 K for 180 s and 873 K for 252 s repeatedly. Phase-field mobilities, L(S) and L(B), were determined to compare with the experimental surface crystal growth rate, u(S), and the volume crystal growth rate, u(B), at 873–1023 K. 2D-PFM with L(S) and L(B) reproduced quantitatively the temperature dependence of u(S) and u(B). The parameters of L(S) and L(B) were consistent with those of 11 kinds of silicate melts, considering the surface and bulk diffusion coefficients. 3D-PFM simulated the single- and multinucleated crystal growth behaviors: the single-nucleated crystal simulation revealed that a ring was formed around the pre-existing crystal by heterogeneous nucleation. These radii obtained by 3D-PFM were comparable to the experimental values. The multinucleated crystal simulation revealed the contact and interaction between the crystals, e.g., new crystal rings could not be formed at the contacting region. In random nucleation, the 3D-PFM simulation demonstrated the crystal shape of the multinucleated crystals under periodic temperature conditions. It was comparable to the experimental photographs obtained by Yuritsyn et al. American Chemical Society 2023-01-11 /pmc/articles/PMC9878635/ /pubmed/36713699 http://dx.doi.org/10.1021/acsomega.2c06996 Text en © 2023 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Kawaguchi, Munemichi Uno, Masayoshi Phase-Field Modeling of Crystal Growth on the Surface and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title | Phase-Field Modeling of Crystal Growth on the Surface
and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title_full | Phase-Field Modeling of Crystal Growth on the Surface
and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title_fullStr | Phase-Field Modeling of Crystal Growth on the Surface
and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title_full_unstemmed | Phase-Field Modeling of Crystal Growth on the Surface
and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title_short | Phase-Field Modeling of Crystal Growth on the Surface
and in the Volume of Na(2)O–2CaO–3SiO(2) Glass under Periodic Temperature Conditions |
title_sort | phase-field modeling of crystal growth on the surface
and in the volume of na(2)o–2cao–3sio(2) glass under periodic temperature conditions |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9878635/ https://www.ncbi.nlm.nih.gov/pubmed/36713699 http://dx.doi.org/10.1021/acsomega.2c06996 |
work_keys_str_mv | AT kawaguchimunemichi phasefieldmodelingofcrystalgrowthonthesurfaceandinthevolumeofna2o2cao3sio2glassunderperiodictemperatureconditions AT unomasayoshi phasefieldmodelingofcrystalgrowthonthesurfaceandinthevolumeofna2o2cao3sio2glassunderperiodictemperatureconditions |