Related papers: A first principles approach to electromechanics in…
We consider the gravity-driven flow of a perfect dielectric, viscous, thin liquid film, wetting a flat substrate inclined at a non-zero angle to the horizontal. The dynamics of the thin film is influenced by an electric field which is set…
Of the three basic states of matter, liquid is perhaps the most complex. While its flow properties are described by fluid mechanics, its thermodynamic properties are often neglected, and for many years it was widely believed that a general…
Two collective properties distinguishing the thin liquid water vapour interface from the bulk liquid are the anisotropy of the pressure tensor giving rise to surface tension and the orientational alignment of the molecules leading to a…
A constitutive relation between stress and strain relative to a reference state is the basic assumption of elasticity theory. However, in living matter, force generation is governed by motor molecule activity, which does not depend on…
Three dimensional implementations of liquid state theories offer an efficient alternative to computer simulations for the atomic-level description of aqueous solutions in complex environments. In this context, we present a (classical)…
The equilibrium state of a system consisting of a large number of strongly interacting electrons can be characterized by its density operator. This gives a direct access to the ground-state energy or, at finite temperatures, to the free…
The hydrodynamic description of a superfluid is usually based on a two-fluid picture. In this thesis, basic properties of such a relativistic two-fluid system are derived from the underlying microscopic physics of a complex scalar quantum…
We present a new density functional, which is the result of a natural evolution and improvement of previous density functional theories for liquid helium. We focus on the key ingredients of the theory, showing how they determine important…
A first-principles approach is introduced to calculate electron field emission characteristics of nanostructures, based on the nonequilibrium Green function technique combined with the density functional theory. The method employs…
Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…
We develop a comprehensive continuum model capable of treating both electrostatic and structural interactions in liquid dielectrics. Starting from a two-order parameter description in terms of charge density and polarization, we derive a…
Predicting interfacial thermodynamics across molecular and continuum scales remains a central challenge in computational science. Classical density functional theory (cDFT) provides a first-principles route to connect microscopic…
Cell motility in viscous fluids is ubiquitous and affects many biological processes, including reproduction, infection, and the marine life ecosystem. Here we review the biophysical and mechanical principles of locomotion at the small…
In the last decade, computational studies of liquid water have mostly concentrated on ground state properties. However recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and…
We have developed a novel multiscale computational scheme to describe coupled dynamics of light electromagnetic field with electrons and atoms in crystalline solids, where first-principles molecular dynamics based on time-dependent density…
The motion of the electrolyte, comprising of solute ions and solvent molecules, is a frequently-occurring natural phenomenon. The motion of the electrolyte leads to the flows of ions and solvent molecules, known as electrochemical flows. In…
A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in…
Numerical analyses of transient electro-osmosis of a typical non-Newtonian liquid induced by DC and AC electric fields in a rectangular microchannel are conducted in the framework of continuum fluid mechanics. The famous power-law…
An exact analogy of electromagnetic fields and particles can be found in continuum mechanics of a turbulent perfect fluid with voids. Deviations of the turbulence from a homogeneous isotropic state correspond to electromagnetic fields: with…
The momentum-dependent local-ansatz (MLA) wavefunction describes well correlated electrons in solids in both the weak and strong interaction regimes. In order to apply the theory to the realistic system, we have extended the MLA to the…