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

Thermodynamic Potentials01:26

Thermodynamic Potentials

Thermodynamic potentials are state functions that are extremely useful in analyzing a thermodynamic system. They have dimensions of energy. The four important thermodynamic potentials are internal energy, enthalpy, Helmholtz free energy, and Gibbs free energy. These thermodynamic potentials can be expressed using two of the following variables: pressure, volume, temperature, and entropy. These two variables are expressed as the rate of change of the thermodynamic potential with respect to other...
Entropy and the Second Law of Thermodynamics01:20

Entropy and the Second Law of Thermodynamics

The second law of thermodynamics can be stated quantitatively using the concept of entropy. Entropy is the measure of disorder of the system.
The relation  between entropy and disorder can be illustrated with the example of the phase change of ice to water. In ice, the molecules are located at specific sites giving a solid state, whereas, in a liquid form, these molecules are much freer to move. The molecular arrangement has therefore become more randomized. Although the change in average...
Entropy and the Second Law of Thermodynamics01:26

Entropy and the Second Law of Thermodynamics

Consider an isolated system in which a hot object is placed in contact with a cold one. This is an irreversible process that eventually leads both objects to reach the same equilibrium temperature. It is crucial to note that the constituents of any substance exhibit increased disorder at higher temperatures. As a cold substance absorbs heat, its constituents become more disordered. The energy transfer from a hotter object to a cooler one increases the system's disorder or randomness. This...
Thermodynamics: Chemical Potential and Activity01:10

Thermodynamics: Chemical Potential and Activity

The effective concentration of a species in a solution can be expressed precisely in terms of its activity. Activity considers the effect of electrolytes present in the vicinity of the species of interest and depends on the ionic strength of the solution. The activity of a species is expressed as the product of molar concentration and the activity coefficient of the species.
The thermodynamic equilibrium constant is more accurately defined in terms of activity rather than concentration.
Thermodynamic Systems01:06

Thermodynamic Systems

A thermodynamic system is a set of objects whose thermodynamic properties are of interest. The system is considered to be embedded in its surroundings or the environment. The system and its environment can exchange heat and do work on each other through a boundary that separates them. However, the immediate surroundings of the system interact with it directly and therefore have a much stronger influence on its behavior and properties.
Consider an example of  tea boiling in a kettle. The tea and...
Thermodynamic Background01:18

Thermodynamic Background

The law of mass action states that "the rate of a chemical reaction is directly proportional to the product of the molar concentrations of the reactants." It means that the more 'active mass' or 'concentration' of the reactants present, the faster the reaction will proceed.In a chemical reaction, there are forward and reverse reactions. The forward reaction is the process where the reactants combine to form products. The reverse reaction is the process where the products break down to form the...

You might also read

Related Articles

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

Sort by
Same author

Molecular dynamics study of water anomalies: a comparison of OPC3 and TIP4P/ <math><mi>ε</mi></math> models.

Journal of molecular modeling·2026
Same author

Empirical no-go principles for rigid three-point water models: A physically guided manifold of optimality.

The Journal of chemical physics·2026
Same author

Condensation Effect and Transport on Alumina Porous Membranes.

Langmuir : the ACS journal of surfaces and colloids·2025
Same author

Water in nanoporous hexagonal boron nitride nanosheets: a first-principles study.

Beilstein journal of nanotechnology·2025
Same author

Accuracy of TIP4P/2005 and SPC/Fw Water Models.

The journal of physical chemistry. B·2024
Same author

Flow through Deformed Carbon Nanotubes Predicted by Rigid and Flexible Water Models.

The journal of physical chemistry. B·2023

Related Experiment Video

Updated: May 29, 2026

Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on: April 25, 2019

Thermodynamic, dynamic, structural, and excess entropy anomalies for core-softened potentials.

Ney M Barraz1, Evy Salcedo, Marcia C Barbosa

  • 1Instituto de Física, Universidade Federal do Rio Grande do Sul, 91501-970, Porto Alegre, RS, Brazil. neybarraz@gmail.com

The Journal of Chemical Physics
|September 22, 2011
PubMed
Summary

Molecular dynamics simulations reveal that continuous core-softened potentials exhibit liquid-liquid phase transitions. Critical temperature depends on the slope, while pressure formation is linked to the potential energy gap.

More Related Videos

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

Structural Design and Manufacturing of a Cruiser Class Solar Vehicle
14:57

Structural Design and Manufacturing of a Cruiser Class Solar Vehicle

Published on: January 30, 2019

Related Experiment Videos

Last Updated: May 29, 2026

Studying Large Amplitude Oscillatory Shear Response of Soft Materials
06:07

Studying Large Amplitude Oscillatory Shear Response of Soft Materials

Published on: April 25, 2019

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

Structural Design and Manufacturing of a Cruiser Class Solar Vehicle
14:57

Structural Design and Manufacturing of a Cruiser Class Solar Vehicle

Published on: January 30, 2019

Area of Science:

  • Condensed matter physics
  • Computational chemistry
  • Statistical mechanics

Background:

  • Continuous core-softened potentials are crucial for modeling materials with complex phase behaviors.
  • Understanding liquid-liquid phase transitions (LLPT) is key to explaining anomalous properties in various substances.
  • Molecular dynamics (MD) simulations provide a powerful tool to investigate microscopic interactions and macroscopic phenomena.

Purpose of the Study:

  • To investigate the influence of potential energy gaps and shoulder depths in continuous core-softened potentials on liquid-liquid phase transitions (LLPT).
  • To determine the factors governing critical temperature and critical pressure in these systems.
  • To analyze the origins of density, diffusion, and structural anomalies.

Main Methods:

  • Utilizing molecular dynamics (MD) simulations to model three families of continuous core-softened potentials.
  • Systematically varying the potential energy gap and shoulder depths.
  • Analyzing radial distribution functions (RDF) and excess entropy to characterize liquid behavior.

Main Results:

  • All studied systems exhibit a liquid-liquid phase transition (LLPT) with a critical point.
  • Critical temperature is independent of the potential energy gap, depending only on the slope between length scales.
  • Critical pressure decreases with decreasing potential energy gap, indicating its role in high-density liquid formation.
  • Anomalous behaviors (density, diffusion, structural) are linked to particle interactions within the second coordination shell.

Conclusions:

  • The critical temperature of LLPT in these core-softened systems is determined by the slope between the shoulder and attractive scales.
  • The potential energy gap significantly influences the critical pressure, highlighting its role in stabilizing high-density liquid states.
  • Anomalous properties arise from local structural rearrangements within the second coordination shell, influenced by temperature-driven particle movement.