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Related Concept Videos

¹H NMR: Interpreting Distorted and Overlapping Signals01:02

¹H NMR: Interpreting Distorted and Overlapping Signals

Spin systems where the difference in chemical shifts of the coupled nuclei is greater than ten times J are called first-order spin systems. These nuclei are weakly coupled, and their chemical shifts and coupling constant can generally be estimated from the well-separated signals in the spectrum.
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Metallic Solids02:37

Metallic Solids

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.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
First Law: Particles in One-dimensional Equilibrium01:10

First Law: Particles in One-dimensional Equilibrium

Newton's first law of motion states that a body at rest remains at rest, or if in motion, remains in motion at constant velocity, unless acted on by a net external force. It also states that there must be a cause for any change in velocity (a change in either magnitude or direction) to occur. This cause is a net external force. For example, consider what happens to an object sliding along a rough horizontal surface. The object quickly grinds to a halt, due to the net force of friction. If we...
Structures of Solids02:22

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...
¹H NMR: Long-Range Coupling01:27

¹H NMR: Long-Range Coupling

The coupling interactions of nuclei across four or more bonds are usually weak, with J values less than 1 Hz. While these are usually not observed in spectra, the presence of multiple bonds along the coupling pathway can result in observable long-range coupling.
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene π orbitals.

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Related Experiment Video

Updated: May 19, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses

Published on: June 7, 2018

Short-range order in multicomponent materials.

Anna V Ceguerra1, Michael P Moody, Rebecca C Powles

  • 1School of Aerospace, Mechanical and Mechatronic Engineering, The University of Sydney, Australia.

Acta Crystallographica. Section A, Foundations of Crystallography
|August 16, 2012
PubMed
Summary
This summary is machine-generated.

The generalized multicomponent short-range order (GM-SRO) parameter effectively characterizes atomic arrangements from atom-probe tomography (APT) data. This method enables simulations of statistically equivalent atomistic systems for advanced nanostructural analysis.

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Last Updated: May 19, 2026

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
08:55

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Published on: June 7, 2018

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Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

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

Published on: May 27, 2020

Area of Science:

  • Materials Science
  • Nanotechnology
  • Computational Materials Science

Background:

  • Atom-probe tomography (APT) provides high-resolution 3D atomistic images.
  • Characterizing short-range order (SRO) in materials is crucial for understanding properties.
  • Existing methods may have limitations in fully describing complex atomic arrangements.

Purpose of the Study:

  • To adapt the generalized multicomponent short-range order (GM-SRO) parameter for APT data.
  • To validate GM-SRO analysis of APT datasets for describing atomic-scale chemical arrangements.
  • To develop a simulation approach based on GM-SRO parameters for complete atomistic systems.

Main Methods:

  • Application of the generalized multicomponent short-range order (GM-SRO) parameter to APT data.
  • Utilizing a Monte Carlo algorithm for simulating atomistic systems based on GM-SRO parameters.
  • Comparison of simulation results with other correlation measures like solute cluster distributions.

Main Results:

  • GM-SRO analysis of APT data provides a representative description of atomic-scale chemical order.
  • Simulated atomistic systems are complete, lattice-based, and statistically consistent with experimental data.
  • The simulations enable quantitative characterization of nanostructural phenomena.

Conclusions:

  • The adapted GM-SRO parameter is a powerful tool for analyzing APT data.
  • Monte Carlo simulations based on GM-SRO parameters offer a complementary approach to experimental data.
  • This integrated approach enhances the understanding and modeling of materials at the atomic scale.