Kinetics of rapid growth and melting of Al50Ni50 alloying crystals: phase field theory versus atomistic simulations revisited *
Электронный научный архив УРФУ
Информация об архиве | Просмотр оригинала| Поле | Значение | |
| Заглавие |
Kinetics of rapid growth and melting of Al50Ni50 alloying crystals: phase field theory versus atomistic simulations revisited *
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| Автор |
Rozas, R. E.
Ankudinov, V. Galenko, P. K. |
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| Тематика |
MELTING
MOLECULAR DYNAMICS PHASE FIELD SOLIDIFICATION ALUMINUM ALLOYS BINARY ALLOYS GROWTH KINETICS KINETICS LIQUIDS MELTING PHASE INTERFACES UNDERCOOLING ATOMISTIC SIMULATIONS CRYSTAL PHASIS DYNAMIC FIELDS EMBEDDED-ATOM METHOD POTENTIALS MELTING PHASE FIELD METHODS PHASE FIELD THEORY PHASE FIELDS RAPID GROWTH UNDERCOOLINGS MOLECULAR DYNAMICS |
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| Описание |
A revised study of the growth and melting of crystals in congruently melting Al50Ni50 alloy is carried out by molecular dynamics (MDs) and phase field (PF) methods. An embedded atom method (EAM) potential of Purja Pun and Mishin (2009 Phil. Mag. 89 3245) is used to estimate the material’s properties (density, enthalpy, and self-diffusion) of the B2 crystalline and liquid phases of the alloy. Using the same EAM potential, the melting temperature, density, and diffusion coefficient become well comparable with experimental data in contrast with previous works where other potentials were used. In the new revision of MD data, the kinetics of melting and solidification are quantitatively evaluated by the ‘crystal-liquid interface velocity-undercooling’ relationship exhibiting the well-known bell-shaped kinetic curve. The traveling wave solution of the kinetic PF model as well as the hodograph equation of the solid-liquid interface quantitatively describe the ‘velocity-undercooling’ relationship obtained in the MD simulation in the whole range of investigated temperatures for melting and growth of Al50Ni50 crystals. © 2022 The Author(s). Published by IOP Publishing Ltd.
ANID FONDECYT, (1190101, ANID/FONDAP/15130015) Deutsche Forschungsgemeinschaft, DFG, (GA 1142/11-1) Russian Science Foundation, RSF, (21-19-00279) This work was financially supported by Russian Science Foundation under Project No. 21-19-00279. P K G acknowledges the support from the German Science Foundation (DFG) under the Project GA 1142/11-1. R E R acknowledges financial support from Project ANID FONDECYT 1190101 and from Centro CRHIAM Project ANID/FONDAP/15130015 |
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| Дата |
2024-04-22T15:52:51Z
2024-04-22T15:52:51Z 2022 |
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| Тип |
Article
Journal article (info:eu-repo/semantics/article) Published version (info:eu-repo/semantics/publishedVersion) |
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| Идентификатор |
Rozas, RE, Ankudinov, V & Galenko, PK 2022, 'Kinetics of rapid growth and melting of Al50Ni50 alloying crystals: phase field theory versus atomistic simulations revisited', Journal of Physics Condensed Matter, Том. 34, № 49, 494002. https://doi.org/10.1088/1361-648X/ac9a1c
Rozas, R. E., Ankudinov, V., & Galenko, P. K. (2022). Kinetics of rapid growth and melting of Al50Ni50 alloying crystals: phase field theory versus atomistic simulations revisited. Journal of Physics Condensed Matter, 34(49), [494002]. https://doi.org/10.1088/1361-648X/ac9a1c 0953-8984 Final All Open Access; Hybrid Gold Open Access https://iopscience.iop.org/article/10.1088/1361-648X/ac9a1c/pdf https://iopscience.iop.org/article/10.1088/1361-648X/ac9a1c/pdf http://elar.urfu.ru/handle/10995/132359 10.1088/1361-648X/ac9a1c 85141270415 875978900001 |
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| Язык |
en
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| Права |
Open access (info:eu-repo/semantics/openAccess)
cc-by |
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| Формат |
application/pdf
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| Издатель |
Institute of Physics
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| Источник |
Journal of Physics: Condensed Matter
Journal of Physics Condensed Matter |
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