用户定义的静电潜力在DFT超级电池计算:实现和应用到电气化接口

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....

An electric dipole is a system of two equal but opposite charges, separated by a fixed distance. This system is used to model many real-world systems, including atomic and molecular interactions. One of these systems is the water molecule, but only under certain circumstances. These circumstances are met inside a microwave oven, where electric fields with alternating directions make the water molecules change orientation. This vibration is equivalent to heat at the molecular level.
Consider a...

Consider an external electric field propagating through a homogeneous medium. When the electric field crosses the surface boundary of the medium, it undergoes a discontinuity. The electric field can be resolved into normal and tangential components. The amount by which the field changes at any boundary is given by the difference between the field components above and below the surface boundary.
The surface integral of an electric field is given by Gauss's law in integral form and is related to...

The simplest case of a surface charge distribution is the uniformly charged disk. Calculating its electric field also helps us calculate the electric field of a large plane of charge.
The system's symmetry is in the cylindrical directions across the plane of the charge. As a result, the electric fields created by various surface charge elements nullify each other in the direction parallel to the surface. Thereby, the resulting electric field is perpendicular to the plane. Since the disk is...

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...

Atoms generally contain the same number of positively and negatively charged particles, protons, and electrons. Hence, they are electrically neutral. However, the centers of the positive and negative charges do not always coincide. In such a scenario, the electric field of an atom may not be zero.
A separation of the positive and negative charges can lead to a weak, remnant effect of the positive and negative charges. The expectation is that the more the distance between the positive and...