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Temperature dependent structural evolution in liquid Ag50Ga50 alloy
1International Center for New-Structured Materials (ICNSM), Laboratory of New-Structured Materials, State Key Laboratory of Silicon Materials, and School of Materials Science and Engineering, Zhejiang University, Hangzhou 310027, People's Republic of China.
Liquid silver-gallium alloy shows a reversible structural change around 1050 K. This atomic structural evolution, confirmed by electrical properties, is linked to silver and gallium atom repartitioning in the metallic liquid.
Area of Science:
- Materials Science
- Condensed Matter Physics
- Physical Chemistry
Background:
- Understanding atomic structural evolution in liquid alloys is crucial for predicting their properties.
- Liquid Ag50Ga50 alloy is a model system for studying noble-polyvalent metallic liquids.
Purpose of the Study:
- To investigate the temperature dependence of atomic structural evolution in liquid Ag50Ga50 alloy.
- To correlate structural changes with alterations in electrical and thermoelectric properties.
Main Methods:
- In situ high energy X-ray diffraction (XRD) experiments.
- First-principles molecular dynamics (FPMD) simulations.
- Measurements of electrical resistivity and absolute thermoelectric power.
Main Results:
- A reversible structural crossover was observed in liquid Ag50Ga50 alloy around 1050 K.
- Experimental results were corroborated by changes in electrical resistivity and thermoelectric power around 1100 K.
- FPMD simulations indicated abnormal temperature-dependent behavior of partial coordination number and atomic diffusivity around 1200 K, linked to Ag-Ga repartitioning.
Conclusions:
- The observed structural and property changes are attributed to the repartitioning of Ag and Ga atoms in the liquid between 1050-1200 K.
- This study provides insights into the structural dynamics of metallic liquids.
- The findings encourage further research on the structural evolution of noble-polyvalent metals and metallic liquids in general.
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