Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass
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...
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| Format: | Article |
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MDPI AG
2022-05-01
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| Series: | Metals |
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| Online Access: | https://www.mdpi.com/2075-4701/12/5/867 |
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| author | Anders Ericsson Martin Fisk |
| author_facet | Anders Ericsson Martin Fisk |
| author_sort | Anders Ericsson |
| collection | DOAJ |
| description | 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mfenced separators="" open="(" close=")"><mi>Al</mi><mo>,</mo><mi>Cu</mi></mfenced><mi>m</mi></msub><msub><mi>Zr</mi><mi>n</mi></msub></mrow></semantics></math></inline-formula> phases from the undercooled liquid phase were simulated under isothermal as well as rapid heating and cooling conditions (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msup><mn>10</mn><mrow><mo>−</mo><mn>1</mn></mrow></msup><mrow><mo>–</mo></mrow><msup><mn>10</mn><mn>6</mn></msup><mspace width="4pt"></mspace><msup><mi>Ks</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></semantics></math></inline-formula>). 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. |
| first_indexed | 2024-03-10T03:25:24Z |
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| language | English |
| last_indexed | 2024-03-10T03:25:24Z |
| publishDate | 2022-05-01 |
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| series | Metals |
| spelling | doaj.art-c2508c0631494a06aa32b1e8701234b12023-11-23T12:10:35ZengMDPI AGMetals2075-47012022-05-0112586710.3390/met12050867Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic GlassAnders Ericsson0Martin Fisk1Division of Solid Mechanics, Lund University, P.O. Box 118, SE 22100 Lund, SwedenDivision of Solid Mechanics, Lund University, P.O. Box 118, SE 22100 Lund, SwedenCrystallization 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 <inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msub><mfenced separators="" open="(" close=")"><mi>Al</mi><mo>,</mo><mi>Cu</mi></mfenced><mi>m</mi></msub><msub><mi>Zr</mi><mi>n</mi></msub></mrow></semantics></math></inline-formula> phases from the undercooled liquid phase were simulated under isothermal as well as rapid heating and cooling conditions (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msup><mn>10</mn><mrow><mo>−</mo><mn>1</mn></mrow></msup><mrow><mo>–</mo></mrow><msup><mn>10</mn><mn>6</mn></msup><mspace width="4pt"></mspace><msup><mi>Ks</mi><mrow><mo>−</mo><mn>1</mn></mrow></msup></mrow></semantics></math></inline-formula>). 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.https://www.mdpi.com/2075-4701/12/5/867metallic glassAl-Cu-ZrcrystallizationCALPHAD |
| spellingShingle | Anders Ericsson Martin Fisk Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass Metals metallic glass Al-Cu-Zr crystallization CALPHAD |
| title | Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass |
| title_full | Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass |
| title_fullStr | Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass |
| title_full_unstemmed | Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass |
| title_short | Modeling of Diffusion-Controlled Crystallization Kinetics in Al-Cu-Zr Metallic Glass |
| title_sort | modeling of diffusion controlled crystallization kinetics in al cu zr metallic glass |
| topic | metallic glass Al-Cu-Zr crystallization CALPHAD |
| url | https://www.mdpi.com/2075-4701/12/5/867 |
| work_keys_str_mv | AT andersericsson modelingofdiffusioncontrolledcrystallizationkineticsinalcuzrmetallicglass AT martinfisk modelingofdiffusioncontrolledcrystallizationkineticsinalcuzrmetallicglass |