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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
The evolution of intermediate-range order in molten network-forming materials
1Department of Chemistry, Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom. mark.wilson@chem.ox.ac.uk
The Journal of Chemical Physics
|June 10, 2008
Summary
This study reveals how intermediate-range order (IRO) in network liquids arises from atomic interactions and network structure. Controlling anion polarizability and temperature helps understand liquid network topology and properties.
Area of Science:
- Condensed matter physics
- Materials science
- Computational chemistry
Background:
- Understanding intermediate-range order (IRO) is crucial for characterizing network-forming liquids.
- The atomistic origins of IRO and its relationship to network topology remain areas of active research.
Purpose of the Study:
- To investigate the atomistic origins of intermediate-range order (IRO) in a model network-forming liquid.
- To explore how anion polarizability and temperature influence network topology and IRO.
Main Methods:
- Employed a pairwise additive potential model augmented with many-body anion polarization.
- Systematically varied anion polarizability and system temperature.
- Utilized Bhatia-Thornton structure factors to analyze chemical composition and network topology effects on IRO.
Main Results:
- Demonstrated control over network topology by adjusting anion polarizability and temperature.
- Identified the atomistic basis of the first-sharp diffraction peak in S(CC)(k) through polyhedral network connectivity.
- Provided insights into the atomistic origin of IRO by referencing prior analyses.
Conclusions:
- The study elucidates the atomic-level mechanisms governing IRO in network liquids.
- Findings contribute to a deeper understanding of structure-property relationships in disordered materials.
- The methodology offers a framework for investigating IRO in other network-forming systems.
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