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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
A criterion for anomalous melting in systems with isotropic interactions
Gianpietro Malescio1, Franz Saija
1Dipartimento di Fisica, Università degli Studi di Messina, Viale F. Stagno d'Alcontres 31, 98166 Messina, Italy. malescio@unime.it
The Journal of Physical Chemistry. B
|September 9, 2011
Summary
Anomalous melting in one-component systems is linked to repulsive intermolecular forces. A new criterion predicts temperature maxima in melting lines, validated by simulations of isotropic interaction models.
Area of Science:
- Condensed matter physics
- Thermodynamics
- Materials science
Background:
- Anomalous melting, or re-entrant melting, describes unusual phase transitions where melting occurs with increasing pressure.
- Understanding the factors driving anomalous melting is crucial for predicting material behavior under extreme conditions.
Purpose of the Study:
- To investigate the connection between anomalous melting and the repulsive forces in intermolecular potentials.
- To develop a theoretical criterion for predicting the occurrence of temperature maxima in melting lines.
Main Methods:
- Utilizing the Lennard-Jones-Devonshire cell model for one-component systems.
- Deriving a single-phase criterion based on the repulsive part of the intermolecular potential.
- Testing the derived criterion against numerical simulation data.
Main Results:
- A direct relationship was established between repulsive intermolecular potential features and anomalous melting.
- A novel single-phase criterion was successfully derived to predict temperature maxima in melting lines.
- The criterion demonstrated good agreement with simulation results for various isotropic interaction models.
Conclusions:
- The repulsive part of the intermolecular potential plays a significant role in anomalous melting phenomena.
- The derived criterion offers a valuable tool for predicting complex melting behaviors in materials.
- This work provides fundamental insights into the thermodynamics of melting in simplified systems.
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