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Structures of Solids

Structures of Solids

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...

Imperfections in Crystal Structure: Point, Line and Plane Defects

Imperfections in Crystal Structure: Point, Line and Plane Defects

A perfect crystal, in theory, has a uniform structure with the same unit cell and lattice points throughout. However, any deviation from this periodic arrangement is known as an imperfection or defect. These defects can be categorized into three types: point, line, and plane defects.Point defects occur when there is a deviation from the ideal due to missing atoms, displaced atoms, or additional atoms. These imperfections might occur due to imperfect packing during crystallization or because of...

Imperfections in Crystal Structure: Stoichiometric Point Defects

Imperfections in Crystal Structure: Stoichiometric Point Defects

Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...

Molecular and Ionic Solids

Molecular and Ionic Solids

Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...

X-ray Crystallography

X-ray Crystallography

The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...

Polymer Classification: Crystallinity

Polymer Classification: Crystallinity

Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...

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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

Order parameter for structural heterogeneity in disordered solids.

Hua Tong¹, Ning Xu¹

¹CAS Key Laboratory of Soft Matter Chemistry, Hefei National Laboratory for Physical Sciences at the Microscale, and Department of Physics, University of Science and Technology of China, Hefei 230026, People's Republic of China.

Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

|August 15, 2014

Summary

This summary is machine-generated.

We developed a new order parameter to measure structural heterogeneity in disordered solids. This parameter identifies key particles responsible for unique low-temperature dynamics and mechanical properties.

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Area of Science:

Condensed matter physics
Materials science
Statistical mechanics

Background:

Disordered solids exhibit complex heterogeneous structures.
Understanding the link between structure and dynamics is crucial.
Low-temperature properties are sensitive to structural defects.

Purpose of the Study:

To develop a quantitative measure of structural heterogeneity in disordered solids.
To identify the role of structurally defective regions in material properties.
To establish a connection between structure, dynamics, and mechanical behavior.

Main Methods:

Constructed a structural order parameter using normal mode analysis.
Analyzed spatial correlations with dynamics and local entropy.
Pinned identified defective particles to probe system response.

Main Results:

The order parameter correlates with low-temperature dynamics and structural entropy.
Particles with high order parameter values are responsible for quasilocalized vibrations.
These particles drive instability, softening, and nonaffinity in solids.

Conclusions:

The developed order parameter effectively quantifies structural heterogeneity.
It links heterogeneous structures to low-temperature dynamics and mechanical properties.
Identifies critical particles governing the behavior of disordered solids.