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Phase Transitions: Melting and Freezing

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Heating a crystalline solid increases the average energy of its atoms, molecules, or ions, and the solid gets hotter. At some point, the added energy becomes large enough to partially overcome the forces holding the molecules or ions of the solid in their fixed positions, and the solid begins the process of transitioning to the liquid state or melting. At this point, the temperature of the solid stops rising, despite the continual input of heat, and it remains constant until all of the solid is...

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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

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Observing one-step melting pathway in two-dimensional hard circular particle system.

Yanwen Zhu^1,2, Shenhua Jiang^1,2, Jieli Wang²

¹Department of Physics, Wenzhou University, Wenzhou, Zhejiang 325035, China.

|August 1, 2025

Summary

Particle size influences two-dimensional melting pathways. Small disks show a two-step melting process, while large disks exhibit a one-step, non-equilibrium phase transition due to cooperative relaxation.

Keywords:

condensed matter physics

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Area of Science:

Condensed Matter Physics
Statistical Mechanics

Background:

The nature of two-dimensional melting is a long-standing debate in physics.
Understanding melting behavior is crucial for materials science and statistical mechanics.

Purpose of the Study:

To investigate the influence of particle size on the melting pathway of hard circular particles.
To clarify the debate surrounding two-dimensional melting mechanisms.

Main Methods:

Langevin dynamics simulations were employed to model particle behavior.
Analysis focused on the dynamical properties and phase transition pathways.

Main Results:

Small hard circular particles exhibit a two-step melting pathway, consistent with previous studies.
Large hard circular particles display a one-step melting pathway, identified as a non-equilibrium phase transition.
The one-step pathway in large particles arises from stable configurations and cooperative relaxation of cage dynamics.

Conclusions:

Particle size significantly alters the melting pathway in two-dimensional systems.
The study reveals a novel non-equilibrium melting mechanism in large particle systems.
Findings contribute to resolving the debate on hard disk melting behavior.