Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

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...

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: Non-Stoichiometric Defects

Imperfections in Crystal Structure: Non-Stoichiometric Defects

Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Crystal Field Theory - Tetrahedral and Square Planar Complexes

Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...

Lattice Energies of Ionic Crystals

Lattice Energies of Ionic Crystals

Lattice energy represents the energy released when gaseous cations and anions combine to form an ionic solid, reflecting the strength of electrostatic interactions within the crystal. This process is fundamentally governed by Coulombic attraction between oppositely charged ions, where the potential energy varies inversely with the interionic distance and directly with the product of ionic charges. As ions approach one another, the electrostatic energy becomes increasingly negative, indicating a...

Temperature Dependent Deformation

Temperature Dependent Deformation

In a nonhomogeneous rod made up of steel and brass, restrained at both ends and subjected to a temperature change, several steps are involved in calculating the stress and compressive load. Due to the problem's static indeterminacy, one end support is disconnected, allowing the rod to experience the temperature change freely. Next, an unknown force is applied at the free end, triggering deformations in the rod's steel and brass portions. These deformations are then calculated and added together...

You might also read

Related Articles

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

Sort by

Same author

Preferential Nucleation of Dislocation Loops under Stress Explained by A15 Frank-Kasper Nanophases in Aluminum.

Physical review letters·2024

Same author

The Einstein-de Haas effect in an Fe<sub>15</sub>cluster.

Journal of physics. Condensed matter : an Institute of Physics journal·2023

Same author

Development of BNBSL: A β-ν spectra library for spectrometry applications.

Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine·2023

Same author

Mild-to-wild plastic transition is governed by athermal screw dislocation slip in bcc Nb.

Nature communications·2022

Same author

The microscopic Einstein-de Haas effect.

The Journal of chemical physics·2019

Same author

Collision cascades overlapping with self-interstitial defect clusters in Fe and W.

Journal of physics. Condensed matter : an Institute of Physics journal·2019

Search research articles

Related Experiment Video

Updated: May 8, 2026

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Published on: May 28, 2016

Interatomic potentials for modelling radiation defects and dislocations in tungsten.

M-C Marinica¹, Lisa Ventelon, M R Gilbert

¹CEA, DEN, Service de Recherches de Métallurgie Physique, F-91191 Gif-sur-Yvette, France.

Journal of Physics. Condensed Matter : an Institute of Physics Journal

|September 5, 2013

Summary

This summary is machine-generated.

New interatomic potentials for tungsten accurately model radiation defects and dislocations. These potentials, based on the embedded atom method, are validated against experimental and ab initio data for reliable simulations.

More Related Videos

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

Related Experiment Videos

Last Updated: May 8, 2026

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Comprehensive Characterization of Extended Defects in Semiconductor Materials by a Scanning Electron Microscope

Published on: May 28, 2016

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Theoretical Calculation and Experimental Verification for Dislocation Reduction in Germanium Epitaxial Layers with Semicylindrical Voids on Silicon

Published on: July 17, 2020

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis

Published on: May 10, 2021

Area of Science:

Materials Science
Computational Physics
Condensed Matter Physics

Background:

Understanding radiation defects and dislocations in tungsten is crucial for nuclear applications and materials engineering.
Accurate interatomic potentials are essential for atomistic simulations of material behavior under extreme conditions.

Purpose of the Study:

To develop and validate robust empirical interatomic potentials for tungsten.
To enable reliable simulations of radiation defects and dislocations in tungsten using the embedded atom method formalism.

Main Methods:

Developed empirical interatomic potentials using the embedded atom method formalism.
Fitted potentials to a mixed database including experimental properties and ab initio calculations (formation energies, interatomic forces).
Tested potential transferability using various point and extended defect configurations.

Main Results:

The developed potentials show good transferability for defect configurations.
Predicted trends for the Peierls barrier of the [Formula: see text] screw dislocation align qualitatively with ab initio calculations.
Enabled quantitative comparison of kink-pair formation energies with experimental data.

Conclusions:

The new empirical interatomic potentials provide a reliable tool for studying radiation defects and dislocations in tungsten.
The methodology, incorporating both experimental and ab initio data, is effective for developing accurate potentials.
These potentials will advance the understanding of tungsten's mechanical behavior in radiation environments.