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Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass

Ericsson, Anders LU and Fisk, Martin LU (2022) In Metals 12(5).
Abstract

Crystallization is a major challenge in metallic glass production, and predictive models may aid the development of controlled microstructures. This work describes a modeling strategy of nucleation, growth and the dissolution of crystals in a multicomponent glass-forming system. The numerical model is based on classical nucleation theory in combination with a multicomponent diffusion-controlled growth model that is valid for high supersaturation. The required thermodynamic properties are obtained by coupling the model to a CALPHAD database using the Al-Cu-Zr system as a demonstrator. The crystallization of intermetallic (Al, Cu)mZrn phases from the under-cooled liquid phase were simulated under isothermal as well... (More)

Crystallization is a major challenge in metallic glass production, and predictive models may aid the development of controlled microstructures. This work describes a modeling strategy of nucleation, growth and the dissolution of crystals in a multicomponent glass-forming system. The numerical model is based on classical nucleation theory in combination with a multicomponent diffusion-controlled growth model that is valid for high supersaturation. The required thermodynamic properties are obtained by coupling the model to a CALPHAD database using the Al-Cu-Zr system as a demonstrator. The crystallization of intermetallic (Al, Cu)mZrn phases from the under-cooled liquid phase were simulated under isothermal as well as rapid heating and cooling conditions (10−1–106 Ks−1 ). The obtained time–temperature transformation and continuous-heating/cooling transformation diagrams agree satisfactorily with the experimental data over a wide temperature range, thereby, demonstrating the predictability of the modeling approach. A comparison of the simulation results and experimental data is discussed.

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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Al-Cu-Zr, CALPHAD, crystallization, metallic glass
in
Metals
volume
12
issue
5
article number
867
publisher
MDPI AG
external identifiers
  • scopus:85130303552
ISSN
2075-4701
DOI
10.3390/met12050867
language
English
LU publication?
yes
id
54f1d3c2-bb6b-4d11-a520-9b5aeb33b0ee
date added to LUP
2023-01-03 14:36:50
date last changed
2023-01-03 14:36:50
@article{54f1d3c2-bb6b-4d11-a520-9b5aeb33b0ee,
  abstract     = {{<p>Crystallization is a major challenge in metallic glass production, and predictive models may aid the development of controlled microstructures. This work describes a modeling strategy of nucleation, growth and the dissolution of crystals in a multicomponent glass-forming system. The numerical model is based on classical nucleation theory in combination with a multicomponent diffusion-controlled growth model that is valid for high supersaturation. The required thermodynamic properties are obtained by coupling the model to a CALPHAD database using the Al-Cu-Zr system as a demonstrator. The crystallization of intermetallic (Al, Cu)<sub>m</sub>Zr<sub>n</sub> phases from the under-cooled liquid phase were simulated under isothermal as well as rapid heating and cooling conditions (10<sup>−1</sup>–10<sup>6</sup> Ks<sup>−1</sup> ). The obtained time–temperature transformation and continuous-heating/cooling transformation diagrams agree satisfactorily with the experimental data over a wide temperature range, thereby, demonstrating the predictability of the modeling approach. A comparison of the simulation results and experimental data is discussed.</p>}},
  author       = {{Ericsson, Anders and Fisk, Martin}},
  issn         = {{2075-4701}},
  keywords     = {{Al-Cu-Zr; CALPHAD; crystallization; metallic glass}},
  language     = {{eng}},
  number       = {{5}},
  publisher    = {{MDPI AG}},
  series       = {{Metals}},
  title        = {{Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass}},
  url          = {{http://dx.doi.org/10.3390/met12050867}},
  doi          = {{10.3390/met12050867}},
  volume       = {{12}},
  year         = {{2022}},
}