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

Shape and Texture of Coarse Aggregate01:25

Shape and Texture of Coarse Aggregate

Aggregate shape is classified based on the relative sharpness or roundness of the edges and corners. This classification includes categories like rounded, angular, elongated, and flaky, each with specific characteristics. Rounded aggregates, fully shaped by attrition, are typical of river or seashore gravel, while angular aggregates, such as crushed rock, have well-defined edges. Aggregates that are elongated and flaky are less desirable, as they can reduce the workability and strength of...
Gravimetry: Overview01:05

Gravimetry: Overview

Gravimetric analysis is a quantitative method where the analyte is isolated and weighed directly or after conversion into a substance of known composition. Gravimetric analysis can be classified as precipitation, electrogravimetry, volatilization, and particulate gravimetry, based on the method used to isolate the analyte.
In precipitation gravimetry, the analyte is converted into a precipitate and weighed. For example, the silver content in a sample can be estimated by precipitating and...
Graded Potential01:19

Graded Potential

Graded potentials are localized fluctuations in the cell membrane's electrical charge, commonly found in the dendrites of neurons. The magnitude of these potential changes depends on the strength of the initiating stimulus. In a membrane at its resting potential, a graded potential signifies a voltage shift either above -70 mV or below -70 mV.
Graded potentials fall into two categories: depolarizing and hyperpolarizing. Depolarizing graded potentials typically occur when sodium (Na+) or calcium...

You might also read

Related Articles

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

Sort by
Same author

Erratum: Mori-Zwanzig projection operator formalism: Generalized Langevin equation dynamics of a classical system perturbed by an external generalized potential and far from equilibrium [Phys. Rev. E 111, 034130 (2025)].

Physical review. E·2026
Same author

Real-Time Magnetic Resonance Imaging Guidance to Enable Brachytherapy: A Case Series.

Practical radiation oncology·2026
Same author

The role of stereotactic body radiotherapy in oligoprogressive prostate cancer: A site-specific analysis of the prospective, phase II RADIANT trial.

Radiotherapy and oncology : journal of the European Society for Therapeutic Radiology and Oncology·2025
Same author

Mori-Zwanzig projection operator formalism: Generalized Langevin equation dynamics of a classical system perturbed by an external generalized potential and far from equilibrium.

Physical review. E·2025
Same author

An Automated Approach for Domain-Specific Knowledge Graph Generation─Graph Measures and Characterization.

Journal of chemical information and modeling·2025
Same author

A nonequilibrium kinetic model of high-resolution vibrational energy transfer in RDX from selective IR excitation.

The Journal of chemical physics·2024

Related Experiment Video

Updated: Jun 10, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

The multiscale coarse-graining method: assessing its accuracy and introducing density dependent coarse-grain

Sergei Izvekov1, Peter W Chung, Betsy M Rice

  • 1U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005, USA. sergiy.izvyekov@us.army.mil

The Journal of Chemical Physics
|August 17, 2010
PubMed
Summary
This summary is machine-generated.

The multiscale coarse-graining (MS-CG) method reconstructs atomistic free-energy surfaces but misses pressure contributions. Incorporating pressure corrections improves MS-CG potential transferability across temperatures and densities, enhancing simulations of nitromethane under various conditions.

More Related Videos

Visualization of Failure and the Associated Grain-Scale Mechanical Behavior of Granular Soils under Shear using Synchrotron X-Ray Micro-Tomography
09:00

Visualization of Failure and the Associated Grain-Scale Mechanical Behavior of Granular Soils under Shear using Synchrotron X-Ray Micro-Tomography

Published on: September 29, 2019

Related Experiment Videos

Last Updated: Jun 10, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

Visualization of Failure and the Associated Grain-Scale Mechanical Behavior of Granular Soils under Shear using Synchrotron X-Ray Micro-Tomography
09:00

Visualization of Failure and the Associated Grain-Scale Mechanical Behavior of Granular Soils under Shear using Synchrotron X-Ray Micro-Tomography

Published on: September 29, 2019

Area of Science:

  • Computational Chemistry
  • Materials Science
  • Statistical Mechanics

Background:

  • Particle-based coarse-graining (CG) methods simplify complex molecular systems.
  • The multiscale coarse-graining (MS-CG) methodology offers a route to derive CG potentials from atomistic simulations.
  • Accurately reconstructing atomistic free-energy landscapes in CG coordinates remains a challenge.

Purpose of the Study:

  • To evaluate the ability of MS-CG potentials to reconstruct atomistic free-energy surfaces.
  • To investigate the limitations of MS-CG in capturing the full free-energy landscape.
  • To develop improved MS-CG potentials with enhanced transferability.

Main Methods:

  • Utilized the MS-CG methodology based on force-matching generalized forces.
  • Incorporated pressure correction interactions using virial and compressibility constraints.
  • Applied one- and two-site coarse-graining models to nitromethane.
  • Introduced density-dependent MS-CG potentials for improved state-point transferability.

Main Results:

  • MS-CG potentials capture only a portion of the atomistic free-energy landscape (potential of mean force contribution).
  • Unaccounted free-energy contributions lead to pressure differences between atomistic and CG ensembles.
  • MS-CG potentials showed good temperature transferability for nitromethane but struggled with density transferability.
  • Density-dependent MS-CG potentials demonstrated improved performance across various thermodynamic conditions, including shocked states.

Conclusions:

  • MS-CG methodology requires pressure correction terms for accurate free-energy reconstruction.
  • Pressure correction interactions are crucial for improving the transferability of MS-CG potentials across different densities.
  • Density-dependent MS-CG potentials offer a promising approach for simulating systems under diverse thermodynamic conditions.