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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
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Unusual Crystallization Behavior Close to the Glass Transition.
Caroline Desgranges1, Jerome Delhommelle1
1Department of Chemistry, University of North Dakota, Grand Forks, North Dakota 58202, USA.
Physical Review Letters
|March 31, 2018
Summary
In glass-forming alloys, crystal nucleation unexpectedly slows near the glass transition. This occurs due to icosahedral structures hindering crystal growth, impacting catalytic applications.
Area of Science:
- Materials Science
- Computational Chemistry
- Condensed Matter Physics
Background:
- Crystal nucleation is crucial for material properties.
- Understanding nucleation near the glass transition is complex.
- Controlling crystal nucleus structure is vital for catalysis.
Purpose of the Study:
- Investigate crystal nucleation mechanisms in metal alloys.
- Unravel the interplay between crystal nucleation and glass transition.
- Explore how alloy composition affects nucleation behavior.
Main Methods:
- Molecular simulations of crystallization processes.
- Analysis of two glass-forming copper alloys (Ag6Cu4 and CuZr).
- Examination of free energy barriers and structural evolution.
Main Results:
- Observed an unexpected reversal in nucleation behavior near the glass transition.
- Identified nonmonotonic temperature dependence of icosahedral structures.
- Icosahedral structures impede crystal nucleus development, increasing the free energy barrier.
Conclusions:
- Low-temperature crystallization near the glass transition promotes defect-free, closed-packed nuclei.
- This finding offers a new strategy for controlling crystal nucleus structure.
- Implications for enhancing catalytic applications through tailored crystal structures.
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