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Updated: Jun 18, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

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Published on: June 7, 2018

Hard spheres: crystallization and glass formation.

P N Pusey¹, E Zaccarelli, C Valeriani

¹SUPA, School of Physics and Astronomy, University of Edinburgh, Edinburgh, UK. p.n.pusey@ed.ac.uk

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences

|November 26, 2009

Summary

This summary is machine-generated.

Polydispersity in hard sphere systems significantly impacts crystallization and glass formation. Higher polydispersity inhibits crystallization, revealing distinct nucleation regimes and a novel mechanism at high concentrations.

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Area of Science:

Materials Science
Computational Physics
Physical Chemistry

Background:

Colloidal suspensions have long been studied for their crystallization and glass formation properties.
Understanding the influence of particle size distribution on these phenomena is crucial for materials design.

Purpose of the Study:

To investigate the effects of polydispersity and concentration on crystallization and glass formation in hard sphere systems using molecular dynamics simulations.
To identify and characterize different nucleation regimes and their dependence on system parameters.

Main Methods:

Molecular dynamics simulations of hard sphere assemblies.
Systematic variation of polydispersity (s) and particle concentration.
Analysis of nucleation, crystal growth, and particle dynamics.

Main Results:

No crystallization observed for polydispersity (s) > 0.07.
Increasing polydispersity (0.02 < s < 0.07) slows crystal nucleation by stabilizing the fluid phase.
Three distinct nucleation regimes identified: standard, spinodal, and a novel high-concentration mechanism.
A crossover concentration (approx. 58% by volume) marks a transition in crystal formation and dynamics, indicating an ideal glass transition.

Conclusions:

Polydispersity is a critical factor controlling crystallization and glass transition in hard sphere systems.
The identified nucleation regimes provide insights into the complex pathways of self-assembly.
Simulation results offer a framework for understanding experimental observations in colloidal systems.