相关论文: Direct Wolf summation of a polarizable force field…
In transient simulations of particulate Stokes flow, to accurately capture the interaction between the constituent particles and the confining wall, the discretization of the wall often needs to be locally refined in the region approached…
We have given theoretical expressions for the forces exerted on a quasi-2D flat and smooth solid plate immersed into a liquid pool of a simple liquid. All forces given by the theory, the local forces on the top, the contact line and the…
The present work reports a general method for the calculation of t he polarizability of a truncated sphere on a substrate. A multipole ex pansion is used, where the multipoles are not necessarily localized in the center of the sphere but…
The Frank Wolfe algorithm (FW) is a popular projection-free alternative for solving large-scale constrained optimization problems. However, the FW algorithm suffers from a sublinear convergence rate when minimizing a smooth convex function…
A novel numerical method called the Thermal Discrete Dipole Approximation (T-DDA) is proposed for modeling near-field radiative heat transfer in three-dimensional arbitrary geometries. The T-DDA is conceptually similar to the Discrete…
We study ballistic transport of Dirac electrons through a strip in silicene, when the strip is exposed to off-resonant circularly polarized light and an electric field applied perpendicular to the silicene plane. We show that the…
We present the singular Euler--Maclaurin expansion, a new method for the efficient computation of large singular sums that appear in long-range interacting systems in condensed matter and quantum physics. In contrast to the traditional…
Theoretical estimates for the cutoff errors in the Ewald summation method for dipolar systems are derived. Absolute errors in the total energy, forces and torques, both for the real and reciprocal space parts, are considered. The…
The phenomenon of solidification of a substance from its liquid phase is of the greatest practical and theoretical importance, and atomistic simulations can provide precious information towards its understanding and control. Unfortunately,…
Force field have for decades proven to be an indispensable tool for molecular simulations which are out of reach for ab-initio methods. Recent efforts to improve the accuracy of these simulations have focused on the inclusion of many-body…
In earlier papers we have applied multiple scattering techniques to calculate Casimir forces due to scalar fields between different bodies described by delta function potentials. When the coupling to the potentials became weak, closed-form…
Information about the nature of the low-temperature anomalies and in particular the properties of the tunneling systems in silica and lithium silica glasses are revealed via computer simulations. The potential energy landscape of these…
Galaxy evolution and star formation are two multi-scale problems tightly linked to each other. To understand the interstellar cycle, which triggers galaxy evolution, it is necessary to describe simultaneously the large-scale evolution…
Direct Numerical Simulation data obtained earlier from two statistically 1D, planar, fully-developed, weakly turbulent, single-step-chemistry, premixed flames characterized by two significantly different (7.53 and 2.50) density ratios…
Simultaneous analyses are performed for cross section data of elastic scattering, fusion, Coulomb breakup, and other direct yields for the $^{6}$He+$^{209}$Bi system at near-Coulomb-barrier energies. The bare and dynamical polarization…
An analytical formula for the linear complex susceptibility of dipolar assemblies subjected to thermal agitation, long range interactions and an externally applied uniform sinusoidal field of weak amplitude is derived using the forced…
In this paper, we consider approximate Frank-Wolfe (FW) algorithms to solve convex optimization problems over graph-structured support sets where the linear minimization oracle (LMO) cannot be efficiently obtained in general. We first…
A highly accurate method for simulating surfactant-covered droplets in two-dimensional Stokes flow with solid boundaries is presented. The method handles both periodic channel flows of arbitrary shape and stationary solid constrictions. A…
We study vacuum polarization due to strong fields, in the presence of an electron-positron plasma. For this purpose, we expand quantum kinetic equations using weak fields and slow temporal scales as expansion parameters. It is demonstrated…
We propose an accelerated algorithm with a Frank-Wolfe method as an oracle for solving strongly monotone variational inequality problems. While standard solution approaches, such as projected gradient descent (aka value iteration), involve…