Metric tensor as the dynamical variable for variable cell-shape molecular dynamics

We propose a new variable cell-shape molecular dynamics algorithm where the dynamical variables associated with the cell are the six independent dot products between the vectors defining the cell instead of the nine cartesian components of those vectors. Our choice of the metric tensor as the dynamical variable automatically eliminates the cell orientation from the dynamics. Furthermore, choosing for the cell kinetic energy a simple scalar that is quadratic in the time derivatives of the metric tensor, makes the dynamics invariant with respect to the choice of the simulation cell edges. Choosing the densitary character of that scalar allows us to have a dynamics that obeys the virial theorem. We derive the equations of motion for the two conditions of constant external pressure and constant thermodynamic tension. We also show that using the metric as variable is convenient for structural optimization under those two conditions. We use simulations for Ar with Lennard-Jones parameters and for Si with forces and stresses calculated from first-principles of density functional theory to illustrate the applications of the method.Comment: 10 pages + 6 figures, Latex, to be published in Physical Review

The Block Spin Renormalization Group Approach and Two-Dimensional Quantum Gravity

A block spin renormalization group approach is proposed for the dynamical triangulation formulation of two-dimensional quantum gravity. The idea is to update link flips on the block lattice in response to link flips on the original lattice. Just as the connectivity of the original lattice is meant to be a lattice representation of the metric, the block links are determined in such a way that the connectivity of the block lattice represents a block metric. As an illustration, this approach is applied to the Ising model coupled to two-dimensional quantum gravity. The correct critical coupling is reproduced, but the critical exponent is obscured by unusually large finite size effects.Comment: 10 page

Perfect hypermomentum fluid: variational theory and equations of motion

The variational theory of the perfect hypermomentum fluid is developed. The new type of the generalized Frenkel condition is considered. The Lagrangian density of such fluid is stated, and the equations of motion of the fluid and the Weyssenhoff-type evolution equation of the hypermomentum tensor are derived. The expressions of the matter currents of the fluid (the canonical energy-momentum 3-form, the metric stress-energy 4-form and the hypermomentum 3-form) are obtained. The Euler-type hydrodynamic equation of motion of the perfect hypermomentum fluid is derived. It is proved that the motion of the perfect fluid without hypermomentum in a metric-affine space coincides with the motion of this fluid in a Riemann space.Comment: REVTEX, 23 pages, no figure

Staging superstructures in high-TcT_c Sr/O co-doped La2−x_{2-x}Srx_xCuO4+y_{4+y}

We present high energy X-ray diffraction studies on the structural phases of an optimal high-$T_c$ superconductor La$_{2-x}$Sr$_x$CuO$_{4+y}$ tailored by co-hole-doping. This is specifically done by varying the content of two very different chemical species, Sr and O, respectively, in order to study the influence of each. A superstructure known as staging is observed in all samples, with the staging number $n$ increasing for higher Sr dopings $x$. We find that the staging phases emerge abruptly with temperature, and can be described as a second order phase transition with transition temperatures slightly depending on the Sr doping. The Sr appears to correlate the interstitial oxygen in a way that stabilises the reproducibility of the staging phase both in terms of staging period and volume fraction in a specific sample. The structural details as investigated in this letter appear to have no direct bearing on the electronic phase separation previously observed in the same samples. This provides new evidence that the electronic phase separation is determined by the overall hole concentration rather than specific Sr/O content and concommittant structural details.Comment: 8 pages, incl. 4 figure

Charge Fluctuation Forces Between Stiff Polyelectrolytes in Salt Solution: Pairwise Summability Re-examined

We formulate low-frequency charge-fluctuation forces between charged cylinders - parallel or skewed - in salt solution: forces from dipolar van der Waals fluctuations and those from the correlated monopolar fluctuations of mobile ions. At high salt concentrations forces are exponentially screened. In low-salt solutions dipolar energies go as $R^{-5}$ or $R^{-4}$; monopolar energies vary as $R^{-1}$ or $\ln{R}$, where $R$ is the minimal separation between cylinders. However, pairwise summability of rod-rod forces is easily violated in low-salt conditions. Perhaps the most important result is not the derivation of pair potentials but rather the demonstration that some of these expressions may not be used for the very problems that originally motivated their derivation.Comment: 8 pages and 1 fig in ps forma

Local spin density in two-dimensional electron gas with hexagonal boundary

The intrinsic spin-Hall effect in hexagon-shaped samples is investigated. To take into account the spin-orbit couplings and to fit the hexagon edges, we derive the triangular version of the tight-binding model for the linear Rashba [Sov. Phys. Solid State 2, 1109 (1960)] and Dresselhaus [Phys. Rev. 100, 580 (1955)] [001] Hamiltonians, which allow direct application of the Landauer-Keldysh non-equilibrium Green function formalism to calculating the local spin density within the hexagonal sample. Focusing on the out-of-plane component of spin, we obtain the geometry-dependent spin-Hall accumulation patterns, which are sensitive to not only the sample size, the spin-orbit coupling strength, the bias strength, but also the lead configurations. Contrary to the rectangular samples, the accumulation pattern can be very different in our hexagonal samples. Our present work provides a fundamental description of the geometry effect on the intrinsic spin-Hall effect, taking the hexagon as the specific case. Moreover, broken spin-Hall symmetry due to the coexistence of the Rashba and Dresselhaus couplings is also discussed. Upon exchanging the two coupling strengths, the accumulation pattern is reversed, confirming the earlier predicted sign change in spin-Hall conductivity.Comment: 7 pages, 4 figure

Long-Term Flux Monitoring of LSI +61 303 at 2.25 and 8.3 GHz

LSI +61 303 is an exotic binary system consisting of a ~10 Msun B star and a compact object which is probably a neutron star. The system is associated with the interesting radio source GT0236+610 that exhibits bright radio outbursts with a period of 26.5 days. We report the results of continuous daily radio interferometric observations of GT0236+610 at 2.25 and 8.3 GHz from 1994 January to 1996 February. The observations cover 25 complete (and 3 partial) cycles with multiple observations each day. We detect substantial cycle-to-cycle variability of the radio emission characterized by a rapid onset of the radio flares followed by a more gradual decrease of the emission. We detect a systematic change of the radio spectral index alpha which typically becomes larger than zero at the onset of the radio outbursts. This behavior is suggestive of expansion of material initially optically thick to radio frequencies, indicating either that synchrotron or inverse Compton cooling are important or that the free-free optical depth to the source is rapidly changing. After two years of observations, we see only weak evidence for the proposed 4-year periodic modulation in the peak flux of the outbursts. We observe a secular trend in the outburst phases according the the best published ephemeris. This trend indicates either orbital period evolution, or a drift in outburst orbital phase in response to some other change in the system.Comment: 23 pages, LaTex, 7 figures, to appear in ApJ, v491, Dec 10th issue, for associated info and preprints see http://www.srl.caltech.edu/personnel/paulr/lsi.htm

Theory of Adiabatic fluctuations : third-order noise

We consider the response of a dynamical system driven by external adiabatic fluctuations. Based on the `adiabatic following approximation' we have made a systematic separation of time-scales to carry out an expansion in $\alpha |\mu|^{-1}$, where $\alpha$ is the strength of fluctuations and $|\mu|$ is the damping rate. We show that probability distribution functions obey the differential equations of motion which contain third order terms (beyond the usual Fokker-Planck terms) leading to non-Gaussian noise. The problem of adiabatic fluctuations in velocity space which is the counterpart of Brownian motion for fast fluctuations, has been solved exactly. The characteristic function and the associated probability distribution function are shown to be of stable form. The linear dissipation leads to a steady state which is stable and the variances and higher moments are shown to be finite.Comment: Plain Latex, no figures, 28 pages; to appear in J. Phys.

Cometary Dust in the Debris Disks of HD 31648 and HD 163296: Two ``Baby'' beta Pics

The debris disks surrounding the pre-main sequence stars HD 31648 and HD 163296 were observed spectroscopically between 3 and 14 microns. Both possess a silicate emission feature at 10 microns which resembles that of the star beta Pictoris and those observed in solar system comets. The structure of the band is consistent with a mixture of olivine and pyroxene material, plus an underlying continuum of unspecified origin. The similarity in both size and structure of the silicate band suggests that the material in these systems had a processing history similar to that in our own solar system prior to the time that the grains were incorporated into comets.Comment: 17 pages, AASTeX, 5 eps figures, accepted for publication in Ap.