相关论文: A method for calculating solvation structure on a …
Numerical simulations based on electronic structure calculations are finding ever growing applications in many areas of physics. A major limiting factor is however the cubic scaling of the algorithms used. Building on previous work [F. R.…
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…
Calculating one-body density profiles in equilibrium via particle-based simulation methods involves counting of events of particle occurrences at (histogram-resolved) space points. Here we investigate an alternative method based on a…
Fractures are ubiquitous in the subsurface. The flow and mechanical properties of these fractures are controlled by its compliance or stiffness. Characterizing fracture compliance and conductivity is crucial in applications such as fault…
Experiments on fracture surface morphologies offer increasing amounts of data that can be analyzed using methods of statistical physics. One finds scaling exponents associated with correlation and structure functions, indicating a rich…
The inter-molecular structure of semidilute polymer solutions is studied theoretically. The low density limit of a generalized Ornstein-Zernicke integral equation approach to polymeric liquids is considered. Scaling laws for the…
Within the framework of nonrelativistic electrodynamics, general formulas have been obtained for the tangential dissipative force of electrostatic friction and the normal force of attraction to the surface of an axially symmetric probe…
The distribution of forces on the surface of complex, deforming geometries is an invaluable output of flow simulations. One particular example of such geometries involves self-propelled swimmers. Surface forces can provide significant…
A novel method for measuring the surface coverage of randomly distributed cylindrical nanoparticles such as nanorods and nanowires, using atomic force microscopy (AFM), is presented. The method offers several advantages over existing…
In spite of considerable progress, computing curvature in Volume of Fluid (VOF) methods continues to be a challenge. The goal is to develop a function or a subroutine that returns the curvature in computational cells containing an interface…
We describe a method to calculate the electrical force acting on a sphere in a suspension of dielectric spheres in a host with a different dielectric constant, under the assumption that a spatially uniform electric field is applied. The…
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…
Numerical simulation of particle motion in fluids at low particle Reynolds numbers is often based on empirical force and torque models obtained by fitting force and torque from ab-initio computations for simple particle shapes such as…
We propose a transform theory for calculating a density profile of small colloids around a large colloid from a force curve between the two-large colloids. In the colloid solution, there are many small colloids and two or several large…
Isomorphs are curves in the thermodynamic phase diagram of invariant excess entropy, structure, and dynamics, while pseudoisomorphs are curves of invariant structure and dynamics, but not of the excess entropy. The latter curves have been…
The surface tension of interacting polymers in a good solvent is calculated theoretically and by computer simulations for a planar wall geometry and for the insertion of a single colloidal hard-sphere. This is achieved for the planar wall…
A quite straightforward approximation for the electrostatic interaction between two perfectly conducting surfaces suggests itself when the distance between them is much smaller than the characteristic lengths associated to their shapes.…
A simple free-surface particle detection method for two and three-dimensional SPH simulation has been implemented. The method uses sphere representation for the SPH particle. The fluid domain is covered by overlapping spheres. A sphere…
A microfluidic device is constructed from PDMS with a single channel having a short section that is a thin flexible membrane, in order to investigate the complex fluid-structure interaction that arises between a flowing fluid and a…
The self-force acting on a (scalar or electric) charge held in place outside a massive body contains information about the body's composition, and can therefore be used as a probe of internal structure. We explore this theme by computing…