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Capillary fluctuation method applied to moving solid-liquid interfaces: Temperature dependence of interfacial
Kaisei Urashima1, Yasushi Shibuta2, Munekazu Ohno3
1Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo, Hokkaido 060-8628, Japan.
The Journal of Chemical Physics
|February 23, 2026
Summary
Researchers quantified solid-liquid interfacial free energy and anisotropy in undercooled aluminum using molecular dynamics. The capillary fluctuation method successfully tracked moving interfaces, revealing temperature-dependent trends crucial for predicting material microstructure.
Area of Science:
- Materials Science and Engineering
- Physical Chemistry
- Computational Materials Science
Background:
- Accurate prediction of microstructure evolution in metals requires understanding solid-liquid interfacial thermodynamics under undercooled conditions.
- Quantitative data on the temperature dependence and anisotropy of interfacial free energy remain limited, hindering predictive capabilities.
Purpose of the Study:
- To extend the capillary fluctuation method (CFM) for analyzing moving solid-liquid interfaces during solidification.
- To determine the temperature dependence of average interfacial free energy (γ0) and anisotropy strengths (ϵ1, ϵ2) for pure aluminum (Al).
- To assess the applicability of CFM under non-equilibrium solidification conditions.
Main Methods:
- Employed molecular dynamics simulations to model the solidification of undercooled pure Al.
- Tracked instantaneous solid-liquid interface positions during steady-state migration.
- Analyzed interface height fluctuation spectra using the extended capillary fluctuation method (CFM).
Main Results:
- The CFM successfully analyzed moving interfaces, showing a characteristic k-2 dependence in fluctuation spectra, confirming applicability under non-equilibrium conditions.
- Average interfacial free energy (γ0) increased with decreasing temperature near the melting point.
- Anisotropy parameters showed weak temperature dependence: ϵ1 remained constant, while ϵ2 decreased with increasing undercooling, indicating ϵ1 dominates anisotropy at high undercoolings.
Conclusions:
- The capillary fluctuation method is a viable technique for quantifying interfacial thermodynamics of moving interfaces in undercooled systems.
- The determined temperature dependencies of interfacial free energy and anisotropy provide critical data for computational materials science.
- Findings offer insights into the factors governing interfacial anisotropy at different undercooling levels.
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