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Related Experiment Video

Updated: May 30, 2026

Orientational Transition in a Liquid Crystal Triggered by the Thermodynamic Growth of Interfacial Wetting Sheets

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Published on: May 15, 2017

Method for computing the anisotropy of the solid-liquid interfacial free energy.

J J Hoyt¹, M Asta, A Karma

¹Sandia National Laboratories, MS 9161, P.O. Box 969, Livermore, California 94550, USA.

Physical Review Letters

|June 21, 2001

Summary

We developed a new method to calculate the weak anisotropy of solid-liquid interfacial free energy, crucial for understanding dendritic growth in materials. This approach uses molecular dynamics simulations to analyze interfacial fluctuations.

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Area of Science:

Materials Science
Computational Physics
Chemical Engineering

Background:

Dendritic evolution in materials is influenced by solid-liquid interfacial free energy.
Atomically rough interfaces present challenges in accurately computing this energy.
Understanding anisotropy is key for predicting material behavior.

Purpose of the Study:

To present a novel computational method for accurately determining the weak anisotropy of solid-liquid interfacial free energy.
To provide a more precise parameter influencing dendritic evolution.
To investigate this phenomenon in pure Nickel (Ni).

Main Methods:

Utilizing molecular dynamics (MD) simulations.
Monitoring interfacial fluctuations at the solid-liquid interface.
Extracting interfacial stiffness from simulation data.

Main Results:

The developed method accurately computes weak anisotropy in interfacial free energy.
Interfacial stiffness was found to be significantly more anisotropic than the interfacial free energy.
Results were validated for pure Ni using embedded atom method potentials.

Conclusions:

The new method offers a reliable way to compute interfacial free energy anisotropy.
This advancement aids in understanding and predicting dendritic growth.
The findings are applicable to materials with atomically rough interfaces.