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Metal-silicate Partitioning at High Pressure and Temperature: Experimental Methods and a Protocol to Suppress Highly Siderophile Element Inclusions
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Long-lived non-equilibrium interstitial solid solutions in binary mixtures.

Ioatzin Ríos de Anda1, Francesco Turci1, Richard P Sear2

  • 1H.H. Wills Physics Laboratory, Tyndall Ave., Bristol BS8 1TL, United Kingdom.

The Journal of Chemical Physics
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Summary
This summary is machine-generated.

Particle crystallization in two-component hard sphere mixtures forms interstitial solid solutions. Small particles get trapped in large particle lattices, creating long-lived non-equilibrium structures, unlike equilibrium predictions.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Physics

Background:

  • Crystallization of multi-component systems is crucial for materials design.
  • Understanding particle interactions and lattice formation is key to predicting material properties.
  • Previous studies on hard sphere mixtures focused on equilibrium properties.

Purpose of the Study:

  • To investigate the heterogeneous crystallization of two-component hard sphere mixtures.
  • To compare experimental results with molecular dynamics simulations.
  • To elucidate the formation of non-equilibrium structures in such systems.

Main Methods:

  • Particle-resolved experimental studies.
  • Molecular dynamics simulations of homogeneous nucleation.
  • Analysis of final crystalline assemblies and particle site occupancy.

Main Results:

  • Both experiments and simulations show interstitial solid solutions with large particles forming close-packed lattices.
  • Small particles occupy octahedral holes, forming long-lived non-equilibrium structures.
  • Small particle occupancy reaches a maximum of ~14%, independent of concentration, and no further hopping is observed.

Conclusions:

  • The crystallization process leads to non-equilibrium structures due to trapped small particles.
  • Observed structures differ from previously predicted equilibrium interstitial solutions.
  • The maximum occupancy of small particles is a significant finding for understanding mixture crystallization.