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

Simulated silica.

Ivan Saika-Voivod1, Francesco Sciortino, Tor Grande

  • 1Dipartimento di Fisica and Istituto Nazionale per la Fisica della Materia, Università di Roma La Sapienza, Piazzale Aldo Moro 2, 00185 Roma, Italy.

Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|January 25, 2005
PubMed
Summary
This summary is machine-generated.

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

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

Nature communications·2026
Same author

Molecular dynamics study of SP-B fragment interactions with model lung surfactant bilayers.

Biochimica et biophysica acta. Biomembranes·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

Experimental evidence of a liquid-liquid critical point in supercooled water.

Science (New York, N.Y.)·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

Molecular dynamics simulations reveal silica's behavior using the BKS potential. Key properties show links between energy landscapes, liquid dynamics, and potential liquid-liquid phase transitions in supercooled silica.

Area of Science:

  • Computational materials science
  • Physical chemistry
  • Condensed matter physics

Background:

  • Molecular dynamics (MD) simulations are crucial for understanding material properties at the atomic level.
  • The van Beest-Kramer-van Santen (BKS) potential is a widely used model for simulating silica behavior.
  • Supercooled liquids exhibit complex dynamics and phase behaviors that are challenging to model.

Purpose of the Study:

  • To provide a comprehensive overview of silica's behavior using MD simulations with the BKS potential.
  • To evaluate key properties of silica, including its phase diagram, equation of state, and energy landscape.
  • To investigate the relationship between the energy landscape, liquid dynamics, and potential phase transitions in supercooled silica.

Main Methods:

Related Experiment Videos

  • Utilizing molecular dynamics computer simulations to model silica.
  • Evaluating the phase diagram, including melting lines of crystal phases.
  • Calculating the equation of state, free energy, and dynamical properties of the liquid phase.
  • Analyzing the potential energy landscape, inherent structures, and configurational entropy.
  • Characterizing local coordination environments in the supercooled liquid.

    • Main Results:

    • The study presents a detailed phase diagram for silica, including melting lines.
    • Calculations reveal the equation of state and free energy of the liquid phase.
    • Analysis shows a connection between the energy landscape and the fragile-to-strong crossover in liquid dynamics.
    • The research explores the relationship between energy landscape, dynamics, and the possibility of a liquid-liquid phase transition.

    Conclusions:

    • Molecular dynamics simulations with the BKS potential offer significant insights into silica's behavior.
    • The findings highlight the interplay between energy landscapes, dynamics, and phase transitions in supercooled silica.
    • This work contributes to a deeper understanding of the complex phenomena governing supercooled liquids.