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Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
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Local collective dynamics at equilibrium BCC crystal-melt interfaces.

Xin Zhang1, Wenliang Lu2, Zun Liang1

  • 1State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.

The Journal of Chemical Physics
|September 1, 2022
PubMed
Summary
This summary is machine-generated.

This study reveals an anisotropic speedup in collective dynamics at body-centered cubic (BCC) iron crystal-melt interfaces. This finding contrasts with liquid-vapor interfaces and validates Ginzburg-Landau theory for crystal-melt interfaces.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Materials Science

Background:

  • Understanding crystal-melt interfaces is crucial for materials processing and solidification.
  • Previous studies indicated a slowing down of dynamics at liquid-vapor interfaces.
  • Collective dynamics at crystal-melt interfaces remain less understood.

Purpose of the Study:

  • To investigate the collective dynamical properties of liquid phases at body-centered cubic (BCC) iron crystal-melt interfaces.
  • To characterize dynamics across different interfacial orientations (100, 110, 111).
  • To assess the validity of time-dependent Ginzburg-Landau theory for crystal-melt interfaces.

Main Methods:

  • Classical molecular-dynamics simulations were employed.
  • Collective dynamics were analyzed using intermediate scattering functions and dynamical structure factors.
  • Density relaxation times were calculated in local regions of interest.

Main Results:

  • An anisotropic speedup of collective dynamics was observed for all three BCC Fe crystal-melt interface orientations.
  • This behavior contrasts with the previously reported slowing down at liquid-vapor interfaces.
  • Interfacial density relaxation times showed excellent agreement with time-dependent Ginzburg-Landau theory predictions.

Conclusions:

  • Collective dynamics at BCC Fe crystal-melt interfaces exhibit anisotropic speedup.
  • The findings support the applicability of time-dependent Ginzburg-Landau theory to crystal-melt interface kinetics.
  • This research provides insights into the fundamental processes governing solidification and crystal growth.