Related papers: Theory of Electronic Relaxation in solution with u…
This paper aims to simulate viscoplastic flow in a shallow-water regime. We specifically use the Bingham model in which the material behaves as a solid if the stress is below a certain threshold, otherwise, it moves as a fluid. The main…
This article is devoted to a generalized version of Smoluchowski's coagulation equation. This model describes the time evolution of a system of aggregating particles under the effect of external input and output particles. We show that for…
Motion of a point particle sliding on a turntable is studied. The equations of motion are derived assuming that the table exerts frictional force on the particle, which is of constant magnitude and directed opposite to the direction of…
Smoluchowski's equation is a macroscopic description of a many particle system with coagulation and shattering interactions. We give a microscopic model of the system from which we derive this equation rigorously. Provided the existence of…
We establish a theoretical framework of the particle relaxation method for uniform particle generation of Smoothed Particle Hydrodynamics. We achieve this by reformulating the particle relaxation as an optimization problem. The objective…
Active diffusiophoresis - swimming through interaction with a self-generated, neutral, solute gradient - is a paradigm for autonomous motion at the micrometer scale. We study this propulsion mechanism within a linear response theory.…
Simulating electron-nucleus coupled dynamics poses a non-trivial challenge and an important problem in the investigation of ultrafast processes involving coupled electronic and vibrational dynamics. Because irreversibility of the system…
We present a simple quantum mechanical model describing excited rotational states of molecules in superfluid helium nanodroplets, as recently studied in non-adiabatic molecular alignment experiments [Cherepanov et al., Phys. Rev. A 104,…
We present the theory and implementation of a Poisson-Boltzmann implicit solvation model for electrolyte solutions. This model can be combined with arbitrary electronic structure methods that provide an accurate charge density of the…
We construct a new hydrodynamic framework describing plastic deformations in electronic crystals. The framework accounts for pinning, phase, and momentum relaxation effects due to translational disorder, diffusion due to the presence of…
The strong friction regime at low temperatures is analyzed systematically starting from the formally exact path integral expression for the reduced dynamics. This quantum Smoluchowski regime allows for a type of semiclassical treatment in…
A modeling framework for the internal conformational dynamics and external mechanical movement of single biological macromolecules in aqueous solution at constant temperature is developed. Both the internal dynamics and external movement…
We study linear stability of planar travelling waves for a scalar reaction-diffusion equation with non-linear anisotropic diffusion. The mathematical model is derived from the full thermo-hydrodynamical model describing the process of…
The accurate modeling of mode hybridization and calculation of radiative relaxation rates have been crucial to the design and optimization of superconducting quantum devices. In this work, we introduce a spectral theory for the…
We employ the method of the theory of open quantum systems to analyze spin relaxation and decoherence in semiconductors in the presence of a magnetic field. We derive a set of Bloch equations for electron spin with a fully microscopic…
The ultra-relativistic Euler equations for an ideal gas are described in terms of the pressure $p$, the spatial part $\underline{u} \in \R^3$ of the dimensionless four-velocity and the particle density $n$. Radially symmetric solutions of…
We study the motion of a particle in the hyperbolic plane (embedded in Minkowski space), under the action of a potential that depends only on one variable. This problem is the analogous to the spherical pendulum in a unidirectional force…
Treating water as a linearly responding dielectric continuum on molecular length scales allows very simple estimates of solvation structure and thermodynamics for charged and polar solutes. While this approach can successfully account for…
A model of the three-dimensional rotating compressible Euler equations on the cubed sphere is presented. The model uses a mixed mimetic spectral element discretization which allows for the exact exchanges of kinetic, internal and potential…
Vortex motion is a complex problem due to the interplay between the short-range physics at the vortex core level and the long-range hydrodynamical effects. Here we show that the hydrodynamic equations of vortex motion in a compressible…