An introduction to the Ginzburg-Landau theory of phase transitions and nonequilibrium patterns

This paper presents an introduction to phase transitions and critical phenomena on the one hand, and nonequilibrium patterns on the other, using the Ginzburg-Landau theory as a unified language. In the first part, mean-field theory is presented, for both statics and dynamics, and its validity tested self-consistently. As is well known, the mean-field approximation breaks down below four spatial dimensions, where it can be replaced by a scaling phenomenology. The Ginzburg-Landau formalism can then be used to justify the phenomenological theory using the renormalization group, which elucidates the physical and mathematical mechanism for universality. In the second part of the paper it is shown how near pattern forming linear instabilities of dynamical systems, a formally similar Ginzburg-Landau theory can be derived for nonequilibrium macroscopic phenomena. The real and complex Ginzburg-Landau equations thus obtained yield nontrivial solutions of the original dynamical system, valid near the linear instability. Examples of such solutions are plane waves, defects such as dislocations or spirals, and states of temporal or spatiotemporal (extensive) chaos

Compatible Quantum Theory

Formulations of quantum mechanics can be characterized as realistic, operationalist, or a combination of the two. In this paper a realistic theory is defined as describing a closed system entirely by means of entities and concepts pertaining to the system. An operationalist theory, on the other hand, requires in addition entities external to the system. A realistic formulation comprises an ontology, the set of (mathematical) entities that describe the system, and assertions, the set of correct statements (predictions) the theory makes about the objects in the ontology. Classical mechanics is the prime example of a realistic physical theory. The present realistic formulation of the histories approach originally introduced by Griffiths, which we call 'Compatible Quantum Theory (CQT)', consists of a 'microscopic' part (MIQM), which applies to a closed quantum system of any size, and a 'macroscopic' part (MAQM), which requires the participation of a large (ideally, an infinite) system. The first (MIQM) can be fully formulated based solely on the assumption of a Hilbert space ontology and the noncontextuality of probability values, relying in an essential way on Gleason's theorem and on an application to dynamics due in large part to Nistico. The microscopic theory does not, however, possess a unique corpus of assertions, but rather a multiplicity of contextual truths ('c-truths'), each one associated with a different framework. This circumstance leads us to consider the microscopic theory to be physically indeterminate and therefore incomplete, though logically coherent. The completion of the theory requires a macroscopic mechanism for selecting a physical framework, which is part of the macroscopic theory (MAQM). Detailed definitions and proofs are presented in the appendice

Electronic structure of amorphous germanium disulfide via density functional molecular dynamics simulations

Using density functional molecular dynamics simulations we study the electronic properties of glassy g-GeS$_2$. We compute the electronic density of states, which compares very well with XPS measurements, as well as the partial EDOS and the inverse participation ratio. We show the electronic contour plots corresponding to different structural environments, in order to determine the nature of the covalent bonds between the atoms. We finally study the local atomic charges, and analyze the impact of the local environment on the charge transfers between the atoms. The broken chemical order inherent to amorphous systems leads to locally charged zones when integrating the atomic charges up to nearest-neighbor distances.Comment: 13 pages, 9 figures; to appear in Phys. Rev.

Modeling of droplet breakup in a microfluidic T--shaped junction with a phase--field model

A phase--field method is applied to the modeling of flow and breakup of droplets in a T--shaped junction in the hydrodynamic regime where capillary and viscous stresses dominate over inertial forces, which is characteristic of microfluidic devices. The transport equations are solved numerically in the three--dimensional geometry, and the dependence of the droplet breakup on the flow rates, surface tension and viscosities of the two components is investigated in detail. The model reproduces quite accurately the phase diagram observed in experiments performed with immiscible fluids. The critical capillary number for droplet breakup depends on the viscosity contrast, with a trend which is analogous to that observed for free isolated droplets in hyperbolic flow

Analysis of the Scanning Tunneling Microscopy Images of the Charge Density Wave Phase in Quasi-one-dimensional Rb0.3MoO3

The experimental STM images for the CDW phase of the blue bronze RbMoO3 have been successfully explained on the basis of first-principles DFT calculations. Although the density of states near the Fermi level strongly concentrates in two of the three types of Mo atoms Mo-II and Mo-III, the STM measurement mostly probes the contribution of the uppermost O atoms of the surface, associated with the Mo-IO6 octahedra. In addition, it is found that the surface concentration of Rb atoms plays a key role in determining the surface nesting vector and hence the periodicity of the CDW modulation. Significant experimental inhomogeneities of the b* surface component of the wavevector of the modulation, probed by STM, are reported. The calculated changes in the surface nesting vector are consistent with the observed experimental inhomogeneities.Comment: 4 pages 5 Figure

Determination of Compton profiles at solid surfaces from first-principles calculations

Projected momentum distributions of electrons, i.e. Compton profiles above the topmost atomic layer have recently become experimentally accessible by kinetic electron emission in grazing-incidence scattering of atoms at atomically flat single crystal metal surfaces. Sub-threshold emission by slow projectiles was shown to be sensitive to high-momentum components of the local Compton profile near the surface. We present a method to extract momentum distribution, Compton profiles, and Wigner and Husimi phase space distributions from ab-initio density-functional calculations of electronic structure. An application for such distributions to scattering experiments is discussed.Comment: 13 pages, 5 figures, submitted to PR