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

Three-Dimensional Analysis of Strain01:29

Three-Dimensional Analysis of Strain

682
Three-dimensional strain analysis is crucial for understanding how materials deform under stress, particularly in elastic, homogeneous materials. This method employs principal stress axes to simplify complex stress states into more understandable forms. Subjected to stress, a small cubic element within a material either expands or contracts along these axes, transforming into a rectangular parallelepiped. This transformation effectively illustrates the material's deformation. The principal...
682
Measurements of Strain01:27

Measurements of Strain

2.7K
Strain quantifies the deformation of a material under force, typically measured as normal strain, which represents the change in length when compared with the original length. Electrical strain gauges are used for enhanced accuracy. These devices consist of a conductive wire mounted on a paper backing that adheres to the material's surface. These gauges operate on the piezoresistive effect, where the wire's electrical resistance changes in response to mechanical deformation. The strain...
2.7K
Elastic Strain Energy for Normal Stresses01:22

Elastic Strain Energy for Normal Stresses

655
Strain energy quantifies the energy stored within a material due to deformation under loading conditions, a fundamental concept in materials science and engineering. The strain energy can be modeled when a material is subjected to axial loading with uniformly distributed stress. In this scenario, the stress experienced by the material is the internal force divided by the cross-sectional area, and the strain induced is directly proportional to this stress through the modulus of elasticity.
If...
655
Thermal Strain01:19

Thermal Strain

3.0K
Thermal strain is a concept that arises when we consider how temperature changes affect structures. Unlike the conventional assumption that structures remain constant under load, real-world scenarios often involve temperature fluctuations that can significantly impact these structures. Consider a homogeneous rod with a uniform cross-section resting freely on a flat horizontal surface. If the rod's temperature increases, the rod elongates. This elongation is proportional to the temperature...
3.0K
Transformation of Plane Strain01:12

Transformation of Plane Strain

588
When analyzing elongated structures like bars subjected to uniformly distributed loads, it is essential to understand the transformation of plane strain when coordinate axes are rotated. This transformation helps to assess how material deformation characteristics vary with orientation, which is crucial in materials science and structural engineering.
Under plane strain conditions, typical for members where one dimension significantly exceeds the others, deformations and resultant strains are...
588
True Stress and True Strain01:28

True Stress and True Strain

926
Engineering stress is calculated as the load divided by the original, undeformed cross-sectional area. It approximates a material under load. This approximation is especially relevant post-yield in ductile materials. Though engineering stress-strain diagrams are often used for their convenience and accessibility, they can sometimes fall short in accuracy, particularly when dealing with large strain values.
In contrast, true stress offers a more precise portrayal. It is computed by dividing the...
926

You might also read

Related Articles

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

Sort by
Same author

SITH: A quantum-chemical framework for predicting bond destabilization in stretched molecules.

The Journal of chemical physics·2026
Same author

Enhancing Molecular High-Pressure Simulations by Implicit Solvation.

The journal of physical chemistry. A·2026
Same author

An efficient and exact reformulation of fourth-order algebraic diagrammatic construction schemes.

The Journal of chemical physics·2026
Same author

Molecular Mechanism of the Oxidative Cleavage of Alkenes by Photoexcited Nitroarenes.

Journal of the American Chemical Society·2026
Same author

RE-ADC: The algebraic diagrammatic construction scheme for the polarization propagator using the retaining-the-excitation-degree partitioning.

The Journal of chemical physics·2026
Same author

Mixed-order schemes for molecular properties employing ADC/ISR.

The Journal of chemical physics·2026

Related Experiment Video

Updated: Mar 5, 2026

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy
09:35

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy

Published on: July 28, 2020

5.4K

Quantum Chemical Strain Analysis For Mechanochemical Processes.

Tim Stauch1, Andreas Dreuw1

  • 1Interdisciplinary Center for Scientific Computing , Im Neuenheimer Feld 205, 69120 Heidelberg, Germany.

Accounts of Chemical Research
|March 25, 2017
PubMed
Summary
This summary is machine-generated.

Quantum chemistry, specifically JEDI analysis, advances mechanochemistry by revealing how mechanical force affects molecules at the molecular level. This tool helps rationalize and optimize chemical reactions initiated by force.

More Related Videos

Picometer-Precision Atomic Position Tracking through Electron Microscopy
15:04

Picometer-Precision Atomic Position Tracking through Electron Microscopy

Published on: July 3, 2021

8.4K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.7K

Related Experiment Videos

Last Updated: Mar 5, 2026

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy
09:35

Applying Dynamic Strain on Thin Oxide Films Immobilized on a Pseudoelastic Nickel-Titanium Alloy

Published on: July 28, 2020

5.4K
Picometer-Precision Atomic Position Tracking through Electron Microscopy
15:04

Picometer-Precision Atomic Position Tracking through Electron Microscopy

Published on: July 3, 2021

8.4K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.7K

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Mechanochemistry offers an efficient alternative to conventional energy sources for chemical reactions.
  • Understanding force's influence on single molecules is crucial but limited, leading to empirical approaches in mechanochemical synthesis.

Purpose of the Study:

  • To demonstrate how quantum chemistry, particularly JEDI analysis, can elucidate molecular-level mechanochemistry.
  • To provide a tool for rationalizing and optimizing mechanochemical processes.

Main Methods:

  • Utilizing quantum chemical force analysis, specifically the JEDI (Judgement of Energy DIstribution) analysis.
  • Calculating strain energy contributions for bonds, angles, and dihedrals in deformed molecules.
  • Applying JEDI analysis to ground and excited electronic states.

Main Results:

  • JEDI analysis identifies the 'force-bearing scaffold' of molecules, explaining strain distribution.
  • Demonstrated JEDI's ability to rationalize polymer weakening by knots and stabilize strained molecules.
  • Quantified mechanical energy release in molecular photoswitches during photoisomerization.

Conclusions:

  • JEDI analysis provides fundamental insights into molecular mechanochemistry, moving beyond empirical rules.
  • This tool enables rational design and optimization of mechanochemical reactions and molecular devices.
  • JEDI analysis is applicable to both ground and excited states, broadening its utility.