About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Theory and Design of Metallic Glasses
|
| Presentation Title |
Unconventional High-Temperature Behavior in Liquid Gallium: Insights From Molecular Dynamics and Experiment |
| Author(s) |
Eva Zarkadoula, Chengyun Hua, Yuya Shinohara, Takeshi Egami |
| On-Site Speaker (Planned) |
Eva Zarkadoula |
| Abstract Scope |
Gallium (Ga) ‘s low melting point and complex bonding character make it an ideal system for studying temperature-dependent liquid-state behavior. Using molecular dynamics simulations with a spatially extended embedded-atom model potential, supported by experiment, we examine liquid Ga’s transport properties and structural relaxation across a wide temperature range. At low temperatures, its behavior is broadly consistent with that of other metallic liquids. At elevated temperatures, we observe qualitative changes in its structural and dynamical response. These high-temperature features deviate from expectations based on conventional liquid-state behavior, suggesting a more complex regime involving coexisting medium-range atomic correlations driven by local packing and electrons. Our findings offer new perspective on the relationship between temperature, structure, and dynamics in liquid gallium, which can be extended to metallic liquids with similar bonding and dynamic complexity.
Work supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, Other, Other |