相关论文: Understanding the Results of Electrostatics Calcul…

We propose an approach to measure surface elastic constants of soft solids. Generally, this requires one to probe interfacial mechanics at around the elastocapillary length scale, which is typically microscopic. Deformations of microscopic…

The development of the theory of three-dimensional harmonic mappings is considered. The new classes of mappings that generate three-dimensional harmonic functions are introduced. The physical interpretation of these mappings is applied to…

We review basic computational techniques for simulations of various magnetic properties of solids. Several applications to compute magnetic anisotropy energy, spin wave spectra, magnetic susceptibilities and temperature dependent…

I derive formulas for the electrostatic potential of a charge in or near a membrane modeled as one or more dielectric slabs lying between two semi-infinite dielectrics. One can use these formulas in Monte Carlo codes to compute the…

Continuum equations are ubiquitous in physical modelling of elastic, viscous, and viscoelastic systems. The equations of continuum mechanics take nontrivial forms on curved surfaces. Although the curved surface formulation of the continuum…

Electrostatics in the solution phase is governed by free electrical charges such as ions, as well as by bound charges that arise when a polarizable medium responds to an applied field. In a local medium, described by a constant dielectric…

We calculate the electrostatic potential and electric field of a uniformly charged disk everywhere in space. This electrostatic problem was solved long ago, and its gravitational analogue - even earlier. However, it seems that physics…

We analyze deficiencies of commonly used Coulomb approximations in Generalized Born solvation energy calculation models and report a development of a new fast surface-based method (FSBE) for numerical calculations of the solvation energy of…

Molecular dynamics (MD) simulations of the zeta potential are so poor that it has become common to term their predictions 'apparent'. Here we demonstrate how zeta potentials that agree with measured values can be calculated by: (1)…

In this article, microscopic understanding of the surface tension are provided, which needs basic knowledge of thermodynamics, statistical mechanics as well as continuum mechanics. By introducing the intermolecular interaction potential and…

In the study of colloidal, biological and electrochemical systems, it is customary to treat surfaces, macromolecules and electrodes as homogeneously charged. This simplified approach is proven successful in most cases, but fails to describe…

In this lecture a new formalism for constructing electromagnetic surface sources for static axisymmetric electrovacs is presented. The electrostatic and magnetostatic sources are derived from the discontinuities of the scalar potentials.…

The calculation presented in "Rotation Velocities and Radial Electric Field in the Plasma Edge" by W. M. Stacey [Contrib. Plasma Phys. 46, (2006)] contains an inconsistent treatment of the electrostatic potential. Comparing the expressions…

The surface properties of solid-state materials often dictate their functionality, especially for applications where nanoscale effects become important. The relevant surface(s) and their properties are determined, in large part, by the…

We show how to describe the coupling of electrons to non-uniform magnetic fields in the framework of the widely used norm-conserving pseudopotential appro ximation for electronic structure calculations. Our derivation applies to magnetic…

We evaluate the electrostatic potential and the electrostatic field created by a point charge and an arbitrarly oriented electrical dipole placed near a grounded perfectly conducting sphere. Induced surface charge distributions as well as…

We evaluate the electrostatic interaction energy between two surfaces, one flat and the other slightly curved, in terms of the two-point autocorrelation functions for patch potentials on each one of them, and of a single function $\psi$…

Solvation free energy is an important quantity in Computational Chemistry with a variety of applications, especially in drug discovery and design. The accurate prediction of solvation free energies of small molecules in water is still a…

While there have been many developments in computational probes of both strongly-correlated molecular systems and machine-learning accelerated molecular dynamics, there remains a significant gap in capabilities in simulating accurate…

A multiple-image method is developed to accurately calculate the electrostatic interaction between neutral dielectric particles and a uniformly charged dielectric substrate. The difference in dielectric constants between the particle and…