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Solidification in soft-core fluids: Disordered solids from fast solidification fronts.

A J Archer1, M C Walters1, U Thiele2

  • 1Department of Mathematical Sciences, Loughborough University, Loughborough LE11 3TU, United Kingdom.

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|November 7, 2014
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Summary
This summary is machine-generated.

Solidification fronts advance through nonlinear or linear mechanisms depending on quench depth. Disorder forms in resulting solids because density modulations differ from equilibrium crystal spacing.

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Area of Science:

  • Soft matter physics
  • Materials science
  • Computational physics

Background:

  • Understanding solidification dynamics is crucial for materials processing.
  • Quenched fluids can form complex structures.
  • Dynamical density functional theory (DDFT) models fluid behavior.

Purpose of the Study:

  • To calculate solidification front speeds in a quenched 2D soft-core fluid.
  • To identify mechanisms of front propagation.
  • To analyze the resulting solid structure and disorder.

Main Methods:

  • Dynamical density functional theory (DDFT) simulations.
  • Analysis of solidification front propagation mechanisms.
  • Marginal stability analysis for linear regimes.

Main Results:

  • Two distinct solidification front propagation mechanisms identified: nonlinear (shallow quenches) and linear (deep quenches).
  • Front speed determined via marginal stability analysis in the linear regime.
  • Density modulations behind the front differ from equilibrium crystal spacing, leading to disorder.
  • Binary mixtures with square/hexagonal ordering exhibit significant disorder due to limited particle rearrangement.

Conclusions:

  • Solidification front dynamics are highly dependent on quench depth.
  • The scale of density modulations dictates the degree of disorder in the formed solids.
  • Binary mixtures are more prone to disorder formation compared to one-component fluids.