Design considerations for advanced battery concepts

A mathematical representation for the charge and discharge of a sodium-sulfur cell is developed. These equations are then used as the basis for a computerized model to examine the effects of cell arrangement in the design of a large multi-kilowatt battery from a group of hypothetical individual cells with known variations in their ampere hour capacity and internal resistance. The cycling characteristics of 216 individual cells arranged in six different configurations are evaluated with the view towards minimizing the adverse effects that are introduced due to the stoichastic aspects of groupings of cells, as well as the possibility of cell failures in both the open and shorted mode. Although battery systems based on sodium-sulfur cells are described in this example, any of the newer electrochemical systems can be fitted into this framework by making appropriate modifications to the basic equations

Synthetic battery cycling techniques

Synthetic battery cycling makes use of the fast growing capability of computer graphics to illustrate some of the basic characteristics of operation of individual electrodes within an operating electrochemical cell. It can also simulate the operation of an entire string of cells that are used as the energy storage subsystem of a power system. The group of techniques that as a class have been referred to as Synthetic Battery Cycling is developed in part to try to bridge the gap of understanding that exists between single cell characteristics and battery system behavior

Zero-energy states and fragmentation of spin in the easy-plane antiferromagnet on a honeycomb lattice

The core of the vortex in the Neel order parameter for an easy-plane antiferromagnet on honeycomb lattice is demonstrated to bind two zero-energy states. Remarkably, a single electron occupying this mid-gap band has its spin fragmented between the two sublattices: Whereas it yields a vanishing total magnetization it shows a finite Neel order, orthogonal to the one of the assumed background. The requisite easy-plane anisotropy may be introduced by a magnetic field parallel to the graphene layer, for example. The results are relevant for spin-1/2 fermions on graphene's or optical honeycomb lattice, in the strongly interacting regime.Comment: 4 pages; cosmetic changes; published versio

Klein tunneling and Dirac potentials in trapped ions

We propose the quantum simulation of the Dirac equation with potentials, allowing the study of relativistic scaterring and the Klein tunneling. This quantum relativistic effect permits a positive-energy Dirac particle to propagate through a repulsive potential via the population transfer to negative-energy components. We show how to engineer scalar, pseudoscalar, and other potentials in the 1+1 Dirac equation by manipulating two trapped ions. The Dirac spinor is represented by the internal states of one ion, while its position and momentum are described by those of a collective motional mode. The second ion is used to build the desired potentials with high spatial resolution.Comment: 4 pages, 3 figures, minor change

Quantum Chemical Analysis of the Excited State Dynamics of Hydrated Electrons

Quantum calculations are performed for an anion water cluster representing the first hydration shell of the solvated electron in solution. The absorption spectra from the ground state, the instant excited states and the relaxed excited states are calculated including CI-SD interactions. Analytic expressions for the nonadiabatic relaxation are presented. It is shown that the 50fs dynamics recently observed after s->p excitation is best accounted for if it is identified with the internal conversion, preceded by an adiabatic relaxation within the excited p state. In addition, transient absorptions found in the infrared are qualitatively reproduced by these calculations

Spin-orbit coupled Bose-Einstein condensate in a tilted optical lattice

Bloch oscillations appear for a particle in a weakly tilted periodic potential. The intrinsic spin Hall effect is an outcome of a spin-orbit coupling. We demonstrate that both these phenomena can be realized simultaneously in a gas of weakly interacting ultracold atoms exposed to a tilted optical lattice and to a set of spatially dependent light fields inducing an effective spin-orbit coupling. It is found that both the spin Hall as well as the Bloch oscillation effects may coexist, showing, however, a strong correlation between the two. These correlations are manifested as a transverse spin current oscillating in-phase with the Bloch oscillations.Comment: 12 pages, 7 figure

Electronic States of Graphene Grain Boundaries

We introduce a model for amorphous grain boundaries in graphene, and find that stable structures can exist along the boundary that are responsible for local density of states enhancements both at zero and finite (~0.5 eV) energies. Such zero energy peaks in particular were identified in STS measurements [J. \v{C}ervenka, M. I. Katsnelson, and C. F. J. Flipse, Nature Physics 5, 840 (2009)], but are not present in the simplest pentagon-heptagon dislocation array model [O. V. Yazyev and S. G. Louie, Physical Review B 81, 195420 (2010)]. We consider the low energy continuum theory of arrays of dislocations in graphene and show that it predicts localized zero energy states. Since the continuum theory is based on an idealized lattice scale physics it is a priori not literally applicable. However, we identify stable dislocation cores, different from the pentagon-heptagon pairs, that do carry zero energy states. These might be responsible for the enhanced magnetism seen experimentally at graphite grain boundaries.Comment: 10 pages, 4 figures, submitted to Physical Review

On essential self-adjointness for magnetic Schroedinger and Pauli operators on the unit disc in R^2

We study the question of magnetic confinement of quantum particles on the unit disk \ID in \IR^2, i.e. we wish to achieve confinement solely by means of the growth of the magnetic field $B(\vec x)$ near the boundary of the disk. In the spinless case we show that $B(\vec x)\ge \frac{\sqrt 3}{2}\cdot\frac{1}{(1-r)^2}-\frac{1}{\sqrt 3}\frac{1}{(1-r)^2\ln \frac{1}{1-r}}$, for $|\vec x|$ close to 1, insures the confinement provided we assume that the non-radially symmetric part of the magnetic field is not very singular near the boundary. Both constants $\frac{\sqrt 3}{2}$ and $-\frac{1}{\sqrt 3}$ are optimal. This answers, in this context, an open question from Y. Colin de Verdi\`ere and F. Truc. We also derive growth conditions for radially symmetric magnetic fields which lead to confinement of spin 1/2 particles.Comment: 18 pages; the main theorem has been expanded and generalize

Massive Dirac particles on the background of charged de-Sitter black hole manifolds

We consider the behavior of massive Dirac fields on the background of a charged de-Sitter black hole. All black hole geometries are taken into account, including the Reissner-Nordstr\"{o}m-de-Sitter one, the Nariai case and the ultracold case. Our focus is at first on the existence of bound quantum mechanical states for the Dirac Hamiltonian on the given backgrounds. In this respect, we show that in all cases no bound state is allowed, which amounts also to the non-existence of normalizable time-periodic solutions of the Dirac equation. This quantum result is in contrast to classical physics, and it is shown to hold true even for extremal cases. Furthermore, we shift our attention on the very interesting problem of the quantum discharge of the black holes. Following Damour-Deruelle-Ruffini approach, we show that the existence of level-crossing between positive and negative continuous energy states is a signal of the quantum instability leading to the discharge of the black hole, and in the cases of the Nariai geometry and of the ultracold geometries we also calculate in WKB approximation the transmission coefficient related to the discharge process.Comment: 19 pages, 11 figures. Macro package: Revtex4. Changes concern mainly the introduction and the final discussion in section VI; moreover, Appendix D on the evaluation of the Nariai transmission integral has been added. References adde

Scattering of Dirac particles from non-local separable potentials: the eigenchannel approach

An application of the new formulation of the eigenchannel method [R. Szmytkowski, Ann. Phys. (N.Y.) {\bf 311}, 503 (2004)] to quantum scattering of Dirac particles from non-local separable potentials is presented. Eigenchannel vectors, related directly to eigenchannels, are defined as eigenvectors of a certain weighted eigenvalue problem. Moreover, negative cotangents of eigenphase-shifts are introduced as eigenvalues of that spectral problem. Eigenchannel spinor as well as bispinor harmonics are expressed throughout the eigenchannel vectors. Finally, the expressions for the bispinor as well as matrix scattering amplitudes and total cross section are derived in terms of eigenchannels and eigenphase-shifts. An illustrative example is also provided.Comment: Revtex, 9 pages, 4 figures, published versio