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Related Concept Videos

Van der Waals Interactions01:24

Van der Waals Interactions

66.6K
Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation04:01

Real Gases: Effects of Intermolecular Forces and Molecular Volume Deriving Van der Waals Equation

35.4K
Thus far, the ideal gas law, PV = nRT, has been applied to a variety of different types of problems, ranging from reaction stoichiometry and empirical and molecular formula problems to determining the density and molar mass of a gas. However, the behavior of a gas is often non-ideal, meaning that the observed relationships between its pressure, volume, and temperature are not accurately described by the gas laws. 
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Intermolecular Forces03:13

Intermolecular Forces

61.2K
Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
61.2K
Intermolecular Forces and Physical Properties02:56

Intermolecular Forces and Physical Properties

22.6K
22.6K
Van der Waals Equation01:10

Van der Waals Equation

4.6K
The ideal gas law is an approximation that works well at high temperatures and low pressures. The van der Waals equation of state (named after the Dutch physicist Johannes van der Waals, 1837−1923) improves it by considering two factors.
First, the attractive forces between molecules, which are stronger at higher densities and reduce the pressure, are considered by adding to the pressure a term equal to the square of the molar density multiplied by a positive coefficient a. Second, the volume...
4.6K
Intermolecular Forces in Solutions02:28

Intermolecular Forces in Solutions

34.8K
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
34.8K

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Updated: Sep 14, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
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Anisotropic interlayer force fields for van der Waals interfaces: Development and applications.

Xiang Gao1,2, Wengen Ouyang3,4, Leeor Kronik5

  • 1School of Chemistry and The Sackler Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel.

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|July 25, 2025
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Summary
This summary is machine-generated.

Anisotropic interlayer force fields are crucial for understanding layered materials. This review covers their theory, parameterization, and applications, advancing materials simulation.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Computational Chemistry

Background:

  • Layered materials exhibit unique properties due to anisotropy.
  • Microscopic understanding of intra- and inter-layer interactions is vital for designing new materials.
  • Ab initio simulations provide insights but are computationally expensive, limiting scale.

Purpose of the Study:

  • To review the progress in anisotropic interlayer force fields for layered materials.
  • To discuss the theoretical framework, parameterization, and applications of these force fields.
  • To highlight future directions in simulation technologies for materials science.

Main Methods:

  • Review of anisotropic interlayer force field development, focusing on the Kolmogorov-Crespi scheme.
  • Discussion of parameterization strategies using ab initio reference data.
  • Summarization of applications in predicting structural, mechanical, dynamical, and electronic properties.

Main Results:

  • Anisotropic force fields, unlike isotropic potentials (Lennard-Jones, Morse), accurately capture binding and sliding physics.
  • The Kolmogorov-Crespi scheme is the established method for interlayer interactions.
  • Demonstrated applications in understanding layered material properties.

Conclusions:

  • Anisotropic interlayer force fields are essential for accurate simulations of layered materials.
  • Further advancements can be achieved by integrating state-of-the-art simulation technologies.
  • This field is critical for the rational design of novel layered architectures.