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

Transmission-Line Differential Equations01:26

Transmission-Line Differential Equations

299
Transmission lines are essential components of electrical power systems. They are characterized by the distributed nature of resistance (R), inductance (L), and capacitance (C) per unit length. To analyze these lines, differential equations are employed to model the variations in voltage and current along the line.
Line Section Model
A circuit representing a line section of length Δx helps in understanding the transmission line parameters. The voltage V(x) and current i(x) are measured...
299
Maxwell-Boltzmann Distribution: Problem Solving01:20

Maxwell-Boltzmann Distribution: Problem Solving

1.5K
Individual molecules in a gas move in random directions, but a gas containing numerous molecules has a predictable distribution of molecular speeds, which is known as the Maxwell-Boltzmann distribution, f(v).
This distribution function f(v) is defined by saying that the expected number N (v1,v2) of particles with speeds between v1 and v2 is given by
1.5K
Reynolds Transport Theorem01:24

Reynolds Transport Theorem

1.2K
The Reynolds transport theorem provides a framework to relate the time rate of change of an extensive property within a system to that in a control volume, which is crucial for analyzing fluid dynamics. Extensive properties, such as mass, velocity, acceleration, temperature, and momentum, can be expressed in terms of the mass of a fluid portion. These properties are called extensive because they depend on the system's size, while intensive properties are their corresponding values per unit...
1.2K
Mean free path and Mean free time01:22

Mean free path and Mean free time

3.6K
Consider the gas molecules in a cylinder. They move in a random motion as they collide with each other and change speed and direction. The average of all the path lengths between collisions is known as the "mean free path."
3.6K
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

983
Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
983
The Buckingham Pi Theorem01:09

The Buckingham Pi Theorem

657
The Buckingham Pi theorem provides a structured method to simplify fluid dynamics problems by reducing complex systems of variables to dimensionless terms.
657

You might also read

Related Articles

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

Sort by
Same author

Phase behavior, self-assembly, and interfacial tension of a dynamically linked polymer blend.

The Journal of chemical physics·2026
Same author

Effects of Concentration, Salinity and Temperature on the Conformations of Zwitterionic Poly(2-Vinylpyridine‑<i>N</i>‑Oxide) Chains in Semidilute Solutions Probed by Small-Angle X‑Ray and Neutron Scattering.

Macromolecules·2026
Same author

Hierarchical relaxation and the microscopic origin of fast Li+ ions transport in Li7La3Zr2O12.

The Journal of chemical physics·2026
Same author

A Neutron Reflection Study of the Dissolution of Miscible Glassy Polymer Films over a Range of Temperature.

Macromolecules·2026
Same author

The Importance of Branch Placement on the Dilute Solution Properties of Comb-like Macromolecules.

Macromolecules·2026
Same author

Glassy dynamics of model complex coacervate films with variable interaction strength quantified by the critical salt concentration.

Soft matter·2025
Same journal

Metastable excited states of iodide-alkyl halide cluster anions: Insights from photodetachment spectroscopy and non-Hermitian quantum chemistry.

The Journal of chemical physics·2026
Same journal

Pressure-induced thermal expansion anomalies in dhcp iron hydride associated with magnetoelastic coupling.

The Journal of chemical physics·2026
Same journal

Seniority eigenstate configuration interaction.

The Journal of chemical physics·2026
Same journal

A data-driven modeling study on the accurate identification of Doppler-free saturated absorption spectra in diatomic tellurium (130Te2).

The Journal of chemical physics·2026
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
See all related articles

Related Experiment Video

Updated: Jul 6, 2025

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules
00:10

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules

Published on: September 5, 2019

8.2K

Efficient single-run implementation of generalized Einstein relation to compute transport coefficients: A

Sabry G Moustafa1, Andrew J Schultz2, Jack F Douglas3

  • 1Department of Engineering Science, Trinity University, San Antonio, Texas 78212, USA.

The Journal of Chemical Physics
|January 10, 2024
PubMed
Summary
This summary is machine-generated.

A new method uses single molecular dynamics simulations to efficiently calculate diffusion and shear viscosity. This robust framework simplifies transport coefficient estimation and uncertainty analysis for various fluids.

More Related Videos

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA
12:05

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA

Published on: October 1, 2017

8.2K
In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
06:34

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging

Published on: September 2, 2016

6.4K

Related Experiment Videos

Last Updated: Jul 6, 2025

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules
00:10

Single-Molecule Tracking Microscopy - A Tool for Determining the Diffusive States of Cytosolic Molecules

Published on: September 5, 2019

8.2K
A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA
12:05

A Simple, Robust, and High Throughput Single Molecule Flow Stretching Assay Implementation for Studying Transport of Molecules Along DNA

Published on: October 1, 2017

8.2K
In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging
06:34

In Situ Monitoring of Diffusion of Guest Molecules in Porous Media Using Electron Paramagnetic Resonance Imaging

Published on: September 2, 2016

6.4K

Area of Science:

  • Computational physics
  • Chemical engineering
  • Materials science

Background:

  • Calculating transport coefficients like diffusion and shear viscosity is crucial for understanding fluid behavior.
  • Traditional methods often require extensive simulations and complex analysis.
  • A need exists for simpler, more efficient computational approaches.

Purpose of the Study:

  • To introduce a robust and simple implementation of the generalized Einstein formulation for computing transport coefficients.
  • To develop a framework applicable to single equilibrium molecular dynamics simulations.
  • To enable accurate estimation of diffusion and shear viscosity with reduced computational cost.

Main Methods:

  • Utilized a binary-based method for sampling time-dependent transport coefficients on a logarithmic time scale.
  • Employed a generalized power law fitting function to accurately describe long-time behavior.
  • Applied a generalized least squares (GLS) fitting estimator, incorporating analytical covariance matrix estimation, for reliable uncertainty quantification.
  • Developed a Python script to automate fitting and determine optimal fitting domains.

Main Results:

  • Successfully applied the framework to binary hard sphere and Lennard-Jones fluids.
  • Validated single-run estimates against multiple independent runs, confirming accuracy.
  • Demonstrated the method's applicability for both on-the-fly and post-processing analysis.
  • Showcased the universality of the diffusive limit for broader applicability.

Conclusions:

  • The presented methodology offers a rigorous yet simple approach to calculating diffusion and shear viscosity.
  • This framework significantly enhances the efficiency of transport coefficient estimation from molecular dynamics simulations.
  • The approach is readily integrable into standard molecular dynamics packages, facilitating wider adoption.