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The temperature-composition phase diagram of two solids, A and B, which are immiscible in the solid phase but form miscible liquids, shows that when the temperature is low, these two exist as separate, pure solids (A and B). As the temperature increases, they transition into a single-phase liquid solution where A and B coexist. Moving from point a1 to a2 in the phase diagram, the composition changes such that solid B begins to separate from the solution, enriching the remaining liquid with A.

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Related Experiment Video

Updated: May 7, 2026

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

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

Published on: September 17, 2021

Solid-liquid transition in polydisperse Lennard-Jones systems.

Sarmistha Sarkar¹, Rajib Biswas, Mantu Santra

¹Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560012, India.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|September 17, 2013

Summary

Polydispersity in Lennard-Jones spheres influences melting behavior, showing a terminal polydispersity around 0.11 without reentrant melting. Increasing polydispersity drives a sharp transition from crystalline solid to disordered states.

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Last Updated: May 7, 2026

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

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

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

Published on: May 15, 2017

Area of Science:

Condensed matter physics
Materials science
Statistical mechanics

Background:

Studying melting in crystalline solids with size variations (polydispersity) is crucial for understanding material properties.
Previous models often simplified particle size distributions, limiting applicability to real-world systems.

Purpose of the Study:

To investigate the melting behavior of face-centered crystalline solids composed of polydisperse Lennard-Jones spheres.
To determine the influence of polydispersity on phase transitions and identify any reentrant melting phenomena.

Main Methods:

Simulations of face-centered crystalline solids with Gaussian polydispersity in sphere size.
Analysis of phase diagrams, bond orientational order parameters (second- and third-order), inherent structure energy, and translational order parameters.
Free energy calculations and structure factor S(k) analysis.

Main Results:

A terminal polydispersity (δ ≈ 0.11) was observed, invariant with temperature, and no reentrant melting occurred.
Increasing polydispersity induced a sharp transition from crystalline to amorphous/fluid states.
Local clusters favored icosahedral arrangements with increasing polydispersity, leading to loss of crystalline symmetry.

Conclusions:

The attractive part of the Lennard-Jones potential influences melting, suppressing reentrant transitions.
The sharp solid-to-disordered transition is linked to vanishing compressibility of the disordered phase.
The study provides insights into the role of polydispersity in the freezing transition and challenges empirical rules like Hansen-Verlet.