Related Experiment Video
Updated: Aug 13, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Calculations of crystal-melt interfacial free energies by nonequilibrium work measurements
1Department of Chemistry, Iowa State University, Ames, Iowa 50011, USA.
Abstract:
We developed a multistep thermodynamic perturbation method to compute the interfacial free energies by nonequilibrium work measurements with cleaving potential procedure. Using this method, we calculated the interfacial free energies of different crystal orientations for the Lennard-Jones system. Our results are in good agreement with the results by thermodynamic integration method. Compared with thermodynamic integration method, the multistep thermodynamic perturbation method is more efficient. For each stage of the cleaving process, only a few thermodynamic perturbation steps are needed, and there is no requirement on the reversibility of the path.
Related Concept Videos
Phase Transitions: Melting and Freezing
Phase Transitions: Sublimation and Deposition
Calculating Standard Free Energy Changes
Electrochemical Systems
Comparing Intermolecular Forces: Melting Point, Boiling Point, and Miscibility
Temporary attractive forces like dispersion are present in all molecules, whether they are polar or nonpolar. They...
The Born-Haber Cycle

