Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass
(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.
(Less)
- author
- Ericsson, Anders LU and Fisk, Martin LU
- organization
- publishing date
- 2022-05
- 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}}, }