Poisson-Bracket Approach to the Dynamics of Nematic Liquid Crystals. The Role of Spin Angular Momentum

Nematic liquid crystals are well modeled as a fluid of rigid rods. Starting from this model, we use a Poisson-bracket formalism to derive the equations governing the dynamics of nematic liquid crystals. We treat the spin angular momentum density arising from the rotation of constituent molecules about their centers of mass as an independent field and derive equations for it, the mass density, the momentum density, and the nematic director. Our equations reduce to the original Leslie-Ericksen equations, including the inertial director term that is neglected in the hydrodynamic limit, only when the moment of inertia for angular momentum parallel to the director vanishes and when a dissipative coefficient favoring locking of the angular frequencies of director rotation and spin angular momentum diverges. Our equations reduce to the equations of nematohydrodynamics in the hydrodynamic limit but with dissipative coefficients that depend on the coefficient that must diverge to produce the Leslie-Ericksen equations.Comment: 10 pages, to be published in Phys. Rev. E 72(5

Spinodal Decomposition in Binary Gases

We carried out three-dimensional simulations, with about 1.4 million particles, of phase segregation in a low density binary fluid mixture, described mesoscopically by energy and momentum conserving Boltzmann-Vlasov equations. Using a combination of Direct Simulation Monte Carlo(DSMC) for the short range collisions and a version of Particle-In-Cell(PIC) evolution for the smooth long range interaction, we found dynamical scaling after the ratio of the interface thickness(whose shape is described approximately by a hyperbolic tangent profile) to the domain size is less than ~0.1. The scaling length R(t) grows at late times like t^alpha, with alpha=1 for critical quenches and alpha=1/3 for off-critical ones. We also measured the variation of temperature, total particle density and hydrodynamic velocity during the segregation process.Comment: 11 pages, Revtex, 4 Postscript figures, submitted to PR

An optimization principle for deriving nonequilibrium statistical models of Hamiltonian dynamics

A general method for deriving closed reduced models of Hamiltonian dynamical systems is developed using techniques from optimization and statistical estimation. As in standard projection operator methods, a set of resolved variables is selected to capture the slow, macroscopic behavior of the system, and the family of quasi-equilibrium probability densities on phase space corresponding to these resolved variables is employed as a statistical model. The macroscopic dynamics of the mean resolved variables is determined by optimizing over paths of these probability densities. Specifically, a cost function is introduced that quantifies the lack-of-fit of such paths to the underlying microscopic dynamics; it is an ensemble-averaged, squared-norm of the residual that results from submitting a path of trial densities to the Liouville equation. The evolution of the macrostate is estimated by minimizing the time integral of the cost function. The value function for this optimization satisfies the associated Hamilton-Jacobi equation, and it determines the optimal relation between the statistical parameters and the irreversible fluxes of the resolved variables, thereby closing the reduced dynamics. The resulting equations for the macroscopic variables have the generic form of governing equations for nonequilibrium thermodynamics, and they furnish a rational extension of the classical equations of linear irreversible thermodynamics beyond the near-equilibrium regime. In particular, the value function is a thermodynamic potential that extends the classical dissipation function and supplies the nonlinear relation between thermodynamics forces and fluxes

Thermodynamically admissible form for discrete hydrodynamics

We construct a discrete model of fluid particles according to the GENERIC formalism. The model has the form of Smoothed Particle Hydrodynamics including correct thermal fluctuations. A slight variation of the model reproduces the Dissipative Particle Dynamics model with any desired thermodynamic behavior. The resulting algorithm has the following properties: mass, momentum and energy are conserved, entropy is a non-decreasing function of time and the thermal fluctuations produce the correct Einstein distribution function at equilibrium.Comment: 4 page

Deriving effective models for multiscale systems via evolutionary GammaGamma-convergence

We discuss possible extensions of the recently established theory of evolutionary Gamma convergence for gradient systems to nonlinear dynamical systems obtained by perturbation of a gradient systems. Thus, it is possible to derive effective equations for pattern forming systems with multiple scales. Our applications include homogenization of reaction-diffusion systems, the justification of amplitude equations for Turing instabilities, and the limit from pure diffusion to reaction-diffusion. This is achieved by generalizing the Gamma-limit approaches based on the energy-dissipation principle or the evolutionary variational estimate

Heavy Ions at LHC: A Quest for Quark-Gluon Plasma

Quantum Chromo Dynamics (QCD), the theory of strong interactions, predicts a transition of the usual matter to a new phase of matter, called Quark-Gluon Plasma (QGP), at sufficiently high temperatures. The non-perturbative technique of defining a theory on a space-time lattice has been used to obtain this and other predictions about the nature of QGP. Heavy ion collisions at the Large Hadron Collider in CERN can potentially test these predictions and thereby test our theoretical understanding of confinement. This brief review aims at providing a glimpse of both these aspects of QGP.Comment: 26 pages, 31 Figures, Invited article for the volume on LHC physics to celebrate the Platinum Jubilee of the Indian National Science Academy, edited by Amitava Datta, Biswarup Mukhopadhyaya and Amitava Raychaudhuri. Needs style file insa.sty (included

Mechanics and thermodynamics of a new minimal model of the atmosphere

The understanding of the fundamental properties of the climate system has long benefitted from the use of simple numerical models able to parsimoniously represent the essential ingredients of its processes. Here, we introduce a new model for the atmosphere that is constructed by supplementing the now-classic Lorenz ’96 one-dimensional lattice model with temperature-like variables. The model features an energy cycle that allows for energy to be converted between the kinetic form and the potential form and for introducing a notion of efficiency. The model’s evolution is controlled by two contributions—a quasi-symplectic and a gradient one, which resemble (yet not conforming to) a metriplectic structure. After investigating the linear stability of the symmetric fixed point, we perform a systematic parametric investigation that allows us to define regions in the parameters space where at steady-state stationary, quasi-periodic, and chaotic motions are realised, and study how the terms responsible for defining the energy budget of the system depend on the external forcing injecting energy in the kinetic and in the potential energy reservoirs. Finally, we find preliminary evidence that the model features extensive chaos. We also introduce a more complex version of the model that is able to accommodate for multiscale dynamics and that features an energy cycle that more closely mimics the one of the Earth’s atmosphere

Some aspects of the Liouville equation in mathematical physics and statistical mechanics

This paper presents some mathematical aspects of Classical Liouville theorem and we have noted some mathematical theorems about its initial value problem. Furthermore, we have implied on the formal frame work of Stochastic Liouville equation (SLE)

Multi-dimensional modeling and simulation of semiconductor nanophotonic devices

Self-consistent modeling and multi-dimensional simulation of semiconductor nanophotonic devices is an important tool in the development of future integrated light sources and quantum devices. Simulations can guide important technological decisions by revealing performance bottlenecks in new device concepts, contribute to their understanding and help to theoretically explore their optimization potential. The efficient implementation of multi-dimensional numerical simulations for computer-aided design tasks requires sophisticated numerical methods and modeling techniques. We review recent advances in device-scale modeling of quantum dot based single-photon sources and laser diodes by self-consistently coupling the optical Maxwell equations with semiclassical carrier transport models using semi-classical and fully quantum mechanical descriptions of the optically active region, respectively. For the simulation of realistic devices with complex, multi-dimensional geometries, we have developed a novel hp-adaptive finite element approach for the optical Maxwell equations, using mixed meshes adapted to the multi-scale properties of the photonic structures. For electrically driven devices, we introduced novel discretization and parameter-embedding techniques to solve the drift-diffusion system for strongly degenerate semiconductors at cryogenic temperature. Our methodical advances are demonstrated on various applications, including vertical-cavity surface-emitting lasers, grating couplers and single-photon sources