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Potential Due to a Polarized Object

Potential Due to a Polarized Object

A neutral atom consists of a positively charged nucleus surrounded by a negatively charged electron cloud. When placed in an external electric field, the external electric force pulls the electrons and nucleus apart, opposite to the intrinsic attraction between the nucleus and the electrons. The opposing forces balance each other with a slight shift between the center of masses of the nucleus and the electron cloud, resulting in a polarized atom. On the other hand, a few molecules, like water,...

Induced Electric Dipoles

Induced Electric Dipoles

A permanent electric dipole orients itself along an external electric field. This rotation can be quantified by defining the potential energy because the external torque does work in rotating it. Then, the potential energy is minimum at the parallel configuration and maximum at the antiparallel configuration. While the former is a stable equilibrium, the latter is an unstable equilibrium.
Since the absolute value of potential energy holds no physical meaning, its zero value can be chosen as per...

Dielectric Polarization in a Capacitor

Dielectric Polarization in a Capacitor

The presence of a dielectric medium in a capacitor not only changes the voltage and capacitance but also affects the electric field. In general, dielectrics can be of two types: polar and nonpolar. In a polar dielectric, the positive and negative charges in the molecules are separated by a distance and hence have a permanent dipole moment. In contrast, no such charge separation exists in a nonpolar dielectric, however the nonpolar molecules get polarized in the presence of an external electric...

Induced Electric Fields: Applications

Induced Electric Fields: Applications

An important distinction exists between the electric field induced by a changing magnetic field and the electrostatic field produced by a fixed charge distribution. Specifically, the induced electric field is nonconservative because it does not work in moving a charge over a closed path. In contrast, the electrostatic field is conservative and does no net work over a closed path. Hence, electric potential can be associated with the electrostatic field but not the induced field. The following...

Electrostatic Boundary Conditions in Dielectrics

Electrostatic Boundary Conditions in Dielectrics

When an electric field passes from one homogeneous medium to another, crossing the boundary between the two mediums imparts a discontinuity in the electric field. This results in electrostatic boundary conditions that depend on the type of mediums the field propagates through.
Consider a case where both the mediums across a boundary are two different dielectric materials. Recall that the electric field and electric displacement are proportional and related through the material's permittivity.

Electric Field

Electric Field

Consider two point charges, each exerting Coulomb force on the other. It is possible to describe the Coulomb interaction via an intermediate step by defining a new physical quantity called the electric field.
In the new picture, imagine that the first charge sets up an electric field independent of all other charges in the universe. When another charge comes in its vicinity, the second charge experiences an electric force depending on the electric field at that point. The source charge does not...

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Related Experiment Video

Updated: Jun 18, 2026

Spatial Separation of Molecular Conformers and Clusters

Spatial Separation of Molecular Conformers and Clusters

Published on: January 9, 2014

Development and application of external electric fields for advanced polarizable force fields.

Moses K J Chung¹, Rebecca A Bone^2,3, Zhi Wang¹

¹Department of Chemistry, Washington University in St. Louis, St. Louis, Missouri 63130, USA.

The Journal of Chemical Physics

|June 17, 2026

Summary

We implemented external electric fields in molecular dynamics simulations using polarizable force fields. This allows for accurate modeling of how electric fields affect molecular structure and dynamics, crucial for understanding materials and biological systems.

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Last Updated: Jun 18, 2026

Spatial Separation of Molecular Conformers and Clusters

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Published on: January 9, 2014

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies

Published on: September 1, 2023

Finite Element Modelling of a Cellular Electric Microenvironment

Finite Element Modelling of a Cellular Electric Microenvironment

Published on: May 18, 2021

Area of Science:

Computational Chemistry
Molecular Dynamics
Materials Science

Background:

External electric fields significantly influence molecular behavior.
Accurate simulation requires accounting for molecular polarization.
Non-polarizable force fields neglect essential polarization effects.

Purpose of the Study:

To implement static and oscillating external electric fields in Tinker molecular dynamics software.
To enable simulations using polarizable force fields under electric fields.
To enhance the capability of molecular dynamics for studying electric field interactions.

Main Methods:

Integration of static and oscillating electric field capabilities into Tinker software.
Utilizing polarizable force fields for molecular simulations.
Application to dielectric spectra calculations and molecular trajectory analysis.

Main Results:

Demonstrated accurate dielectric spectra for water and aqueous glucose solutions.
Successfully analyzed the effects of electric fields on amyloid beta protein dynamics.
Validated the new implementation for simulating electric field-molecule interactions.

Conclusions:

The implemented electric field functionality in Tinker enhances simulations with polarizable force fields.
This advancement is vital for accurately modeling molecular responses to external electric fields.
The tool provides new avenues for research in various scientific domains.