Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Electronic Structure of Atoms02:28

Electronic Structure of Atoms

20.9K

An atom comprises protons and neutrons, which are contained inside the dense, central core called the nucleus, with electrons present around the nucleus. Taking into account the wave–particle duality of electrons and the uncertainty in position around the nucleus, quantum mechanics provides a more accurate model for the atomic structure. It describes atomic orbitals as the regions around the nucleus where electrons of discrete energy exist, characterized by four quantum...
20.9K
Structures of Solids02:22

Structures of Solids

14.0K
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...
14.0K
Atomic Orbitals02:44

Atomic Orbitals

33.1K
An atomic orbital represents the three-dimensional regions in an atom where an electron has the highest probability to reside. The radial distribution function indicates the total probability of finding an electron within the thin shell at a distance r from the nucleus. The atomic orbitals have distinct shapes which are determined by l, the angular momentum quantum number. The orbitals are often drawn with a boundary surface, enclosing densest regions of the cloud.
33.1K
Ionic Crystal Structures02:42

Ionic Crystal Structures

14.1K
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
14.1K
Molecular Models02:00

Molecular Models

37.8K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
37.8K
X-ray Crystallography02:18

X-ray Crystallography

23.8K
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...
23.8K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Incipient Plasticity of Si and GaAs: Review and Perspectives.

Materials (Basel, Switzerland)·2025
Same author

Effect of the Indentation Load on the Raman Spectra of the InP Crystal.

Materials (Basel, Switzerland)·2022
Same author

Interatomic Potential for InP.

Materials (Basel, Switzerland)·2022
Same author

Structure and Properties of Copper Pyrophosphate by First-Principle Calculations.

Materials (Basel, Switzerland)·2022
Same author

Influence of Molybdenum on the Microstructure, Mechanical Properties and Corrosion Resistance of Ti<sub>20</sub>Ta<sub>20</sub>Nb<sub>20</sub>(ZrHf)<sub>20-x</sub>Mo<sub>x</sub> (Where: x = 0, 5, 10, 15, 20) High Entropy Alloys.

Materials (Basel, Switzerland)·2022
Same author

On Incipient Plasticity of InP Crystal: A Molecular Dynamics Study.

Materials (Basel, Switzerland)·2021

Related Experiment Video

Updated: Jun 2, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

8.1K

Atom's Dynamics and Crystal Structure: An Ordinal Pattern Method.

Rafał Abram1, Roman Nowak1,2, Dariusz Chrobak3

  • 1Nordic Hysitron Laboratory, School of Chemical Engineering, Aalto University, Aalto 00076, Finland.

The Journal of Physical Chemistry. A
|January 17, 2025
PubMed
Summary

Analyzing single-atom movement trajectories using ordinal patterns can identify crystal structures, overcoming thermal fluctuation limitations. This method accurately distinguishes silicon phases and aids solid-solid phase transformation studies.

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.4K
Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
11:48

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

14.7K

Related Experiment Videos

Last Updated: Jun 2, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
06:35

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates

Published on: February 15, 2016

8.1K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.4K
Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
11:48

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

Published on: April 24, 2018

14.7K

Area of Science:

  • Materials Science
  • Crystallography
  • Computational Physics

Background:

  • Thermal fluctuations hinder accurate crystal structure identification.
  • Individual atom trajectories contain information about their local atomic configuration.

Purpose of the Study:

  • To develop a method for determining local atomic configuration from single-atom movement.
  • To distinguish between different crystal structures using statistical analysis of atomic trajectories.

Main Methods:

  • Utilized molecular modeling to simulate atomic movement.
  • Applied statistical analysis of single-atom speed trajectories represented by ordinal patterns.
  • Employed Shannon entropy of ordinal patterns for phase discernment.

Main Results:

  • Successfully distinguished between actual crystal structures using ordinal pattern analysis.
  • Discerned studied high-pressure silicon phases based on Shannon entropy of ordinal patterns.
  • Demonstrated increased method accuracy with longer trajectory analysis, particularly for atoms in specific Wyckoff positions (2c, 6f) of the r8 crystal.

Conclusions:

  • Single-atom trajectory analysis offers a novel approach to crystal structure identification.
  • The method shows promise for studying solid-solid phase transformations.
  • Ordinal pattern analysis provides a robust tool for understanding local atomic environments.