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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Emergent structural correlations in dense liquids.

Ilian Pihlajamaa1, Corentin C L Laudicina1, Chengjie Luo1,2

  • 1Soft Matter & Biological Physics, Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands.

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Summary
This summary is machine-generated.

Supercooling liquids significantly alters their four-body structure, revealing complex many-body correlations beyond simple two-body interactions. Understanding these higher-order correlations is crucial for accurately describing liquid behavior.

Keywords:
colloidal hard spherescomputer simulationsdense liquidsdensity functional theorystructural correlations

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Area of Science:

  • Statistical Physics
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Describing the structure of dense and supercooled liquids is a fundamental challenge in statistical physics.
  • Existing research primarily examines two-body structural correlations, with limited exploration of three-body correlations.

Purpose of the Study:

  • To quantitatively investigate many-body static structure factors in dense and supercooled liquids.
  • To extend structural analysis beyond two- and three-body correlations up to the six-body level.

Main Methods:

  • Extraction of many-body static structure factors using molecular dynamics simulations.
  • Derivation of accurate approximations for structure factors up to the six-body level using density functional theory.

Main Results:

  • Supercooling demonstrably increases four-body correlations, similar to lower-order correlations.
  • A significant qualitative and quantitative change in the four-point structure of liquids is observed at small wave numbers upon supercooling.
  • These changes in higher-order correlations are not mirrored in two-point structural correlations.

Conclusions:

  • Many-body correlations beyond the two-particle level are essential for a complete understanding of dense liquid structure and dynamics.
  • The observed changes in four-point structure highlight the limitations of theories relying solely on pairwise interactions.
  • Future theories of liquid structure and dynamics must incorporate these higher-order correlations to capture intricate liquid behaviors.