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 Experiment Videos

Crossover (or Kovacs) effect in an aging molecular liquid.

Stefano Mossa1, Francesco Sciortino

  • 1Laboratoire de Physique Théorique des Liquides, Université Pierre et Marie Curie, 4 place Jussieu, Paris 75005, France.

Physical Review Letters
|March 6, 2004
PubMed
Summary

Molecular dynamics simulations reveal nonmonotonic volume changes in ortho-terphenyl, demonstrating the crossover effect during equilibration. This suggests systems far from equilibrium explore unique potential energy landscapes.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Interplay of structure and dynamics in solid polymer electrolytes: a molecular dynamics study of LiPF<sub>6</sub>/polypropylene carbonate.

Physical chemistry chemical physics : PCCP·2026
Same author

Resolving liquid-to-glass transitions of water under soft nanoconfinement.

Nature communications·2026
Same author

Energy landscape statistics and thermodynamics of a machine-learned model of water.

Proceedings of the National Academy of Sciences of the United States of America·2026
Same author

Collective filament wrapping and nested spiral formation in active polydisperse systems.

Soft matter·2026
Same author

Simulating plastic ice VII with the data-driven many-body MB-pol potential.

The Journal of chemical physics·2025
Same author

Inverse Thermodynamics: Designing Interactions for Targeted Phase Behavior.

The journal of physical chemistry. B·2025

Area of Science:

  • Condensed Matter Physics
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding the aging behavior of molecular systems is crucial for predicting material properties.
  • Non-equilibrium phenomena, such as the crossover effect, challenge traditional thermodynamic models.
  • Ortho-terphenyl serves as a well-studied molecular model for investigating complex dynamic processes.

Purpose of the Study:

  • To investigate the aging dynamics of a molecular model of ortho-terphenyl using molecular dynamics simulations.
  • To identify and characterize non-equilibrium phenomena during isothermal-isobaric equilibration.
  • To relate observed dynamic behaviors to the underlying potential energy landscape.

Main Methods:

  • Molecular dynamics (MD) simulations were employed to model ortho-terphenyl.

Related Experiment Videos

  • Isothermal-isobaric (NPT) ensemble simulations were used to mimic realistic equilibration conditions.
  • Analysis focused on the evolution of system volume and potential energy landscape exploration.

    • Main Results:

    • Evidence of a nonmonotonic volume evolution, characteristic of the crossover (or Kovacs) effect, was observed.
    • The system's exploration of the potential energy landscape differed significantly when far from equilibrium compared to thermal equilibrium.
    • These findings highlight distinct dynamic pathways taken by the system under different conditions.

    Conclusions:

    • The crossover effect in ortho-terphenyl is linked to distinct potential energy landscape exploration far from equilibrium.
    • Molecular dynamics simulations provide valuable insights into complex aging phenomena in molecular systems.
    • The study underscores the importance of considering non-equilibrium dynamics in materials science and condensed matter physics.