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Equilibrium ultrastable glasses produced by random pinning.

Glen M Hocky1, Ludovic Berthier2, David R Reichman1

  • 1Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.

The Journal of Chemical Physics
|December 16, 2014
PubMed
Summary
This summary is machine-generated.

Researchers developed a novel, low-cost simulation method to create ultrastable glasses. This breakthrough enables detailed studies of their melting behavior and kinetic stability, paving the way for new material applications.

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Area of Science:

  • Materials Science
  • Computational Physics
  • Amorphous Materials

Background:

  • Ultrastable glasses exhibit unique material properties and can potentially be synthesized via vapor deposition.
  • Atomistic simulations of ultrastable glasses are computationally challenging, limiting research.

Purpose of the Study:

  • To develop a computationally inexpensive method for generating ultrastable glass configurations in simulations.
  • To investigate the melting kinetics and dynamic properties of these simulated ultrastable glasses.

Main Methods:

  • Generating ultrastable configurations by randomly pinning a small fraction of particles in a supercooled liquid.
  • Simulating melting kinetics via temperature jumps and analyzing dynamic heterogeneity.

Main Results:

  • The pinning method efficiently creates ultrastable glasses without structural artifacts.
  • Enhanced kinetic stability correlates with large-scale dynamic heterogeneity in homogeneous systems.
  • Melting exhibits competition between homogeneous and heterogeneous pathways when a liquid boundary advances.

Conclusions:

  • A novel, cost-effective simulation technique enables large-scale studies of ultrastable glasses.
  • Simulated ultrastable glasses display complex melting behaviors influenced by geometry and dynamics.
  • This approach facilitates atomistically resolved, experimentally relevant investigations of ultrastable glass kinetics.