Dust Storms in Space?

Primarily from the Pioneer 8 and 9 results, it is concluded that the flux of picogram sized dust particles near the earth's orbit has been constant to within the observational limits over three years of observation. In particular, since dust streams are not observed, they cannot explain microphone detected events. However, the possibility of rare events due to dust blown directly off a cometary nucleus (such as that reported for Comet Bennett) cannot be completely ruled out

On the Wang-Landau Method for Off-Lattice Simulations in the "Uniform" Ensemble

We present a rigorous derivation for off-lattice implementations of the so-called "random-walk" algorithm recently introduced by Wang and Landau [PRL 86, 2050 (2001)]. Originally developed for discrete systems, the algorithm samples configurations according to their inverse density of states using Monte-Carlo moves; the estimate for the density of states is refined at each simulation step and is ultimately used to calculate thermodynamic properties. We present an implementation for atomic systems based on a rigorous separation of kinetic and configurational contributions to the density of states. By constructing a "uniform" ensemble for configurational degrees of freedom--in which all potential energies, volumes, and numbers of particles are equally probable--we establish a framework for the correct implementation of simulation acceptance criteria and calculation of thermodynamic averages in the continuum case. To demonstrate the generality of our approach, we perform sample calculations for the Lennard-Jones fluid using two implementation variants and in both cases find good agreement with established literature values for the vapor-liquid coexistence locus.Comment: 21 pages, 4 figure

Rugged Metropolis Sampling with Simultaneous Updating of Two Dynamical Variables

The Rugged Metropolis (RM) algorithm is a biased updating scheme, which aims at directly hitting the most likely configurations in a rugged free energy landscape. Details of the one-variable (RM$_1$) implementation of this algorithm are presented. This is followed by an extension to simultaneous updating of two dynamical variables (RM$_2$). In a test with Met-Enkephalin in vacuum RM$_2$ improves conventional Metropolis simulations by a factor of about four. Correlations between three or more dihedral angles appear to prevent larger improvements at low temperatures. We also investigate a multi-hit Metropolis scheme, which spends more CPU time on variables with large autocorrelation times.Comment: 8 pages, 5 figures. Revisions after referee reports. Additional simulations for temperatures down to 220

Simulated Tempering: A New Monte Carlo Scheme

We propose a new global optimization method ({\em Simulated Tempering}) for simulating effectively a system with a rough free energy landscape (i.e. many coexisting states) at finite non-zero temperature. This method is related to simulated annealing, but here the temperature becomes a dynamic variable, and the system is always kept at equilibrium. We analyze the method on the Random Field Ising Model, and we find a dramatic improvement over conventional Metropolis and cluster methods. We analyze and discuss the conditions under which the method has optimal performances.Comment: 12 pages, very simple LaTeX file, figures are not included, sorr

Spin glass overlap barriers in three and four dimensions

For the Edwards-Anderson Ising spin-glass model in three and four dimensions (3d and 4d) we have performed high statistics Monte Carlo calculations of those free-energy barriers $F^q_B$ which are visible in the probability density $P_J(q)$ of the Parisi overlap parameter $q$. The calculations rely on the recently introduced multi-overlap algorithm. In both dimensions, within the limits of lattice sizes investigated, these barriers are found to be non-self-averaging and the same is true for the autocorrelation times of our algorithm. Further, we present evidence that barriers hidden in $q$ dominate the canonical autocorrelation times.Comment: 20 pages, Latex, 12 Postscript figures, revised version to appear in Phys. Rev.

Monte Carlo simulation and global optimization without parameters

We propose a new ensemble for Monte Carlo simulations, in which each state is assigned a statistical weight $1/k$, where $k$ is the number of states with smaller or equal energy. This ensemble has robust ergodicity properties and gives significant weight to the ground state, making it effective for hard optimization problems. It can be used to find free energies at all temperatures and picks up aspects of critical behaviour (if present) without any parameter tuning. We test it on the travelling salesperson problem, the Edwards-Anderson spin glass and the triangular antiferromagnet.Comment: 10 pages with 3 Postscript figures, to appear in Phys. Rev. Lett

Dispersion and polarization conversion of whispering gallery modes in arbitrary cross-section nanowires

We investigate theoretically the optical properties of Nano-Wires (NWs) with cross sections having either discrete or cylindrical symmetry. The material forming the wire is birefringent, showing a different dielectric response in the plane and along the axis of the wire, which is typically the case for wires made of wurtzite materials, such as ZnO or GaN. We look for solutions of Maxwell`s equations having the proper symmetry. The dispersions and the linewidths versus angle of incident light for the modes having high momentum in the cross-section plane, so called whispering gallery modes, are calculated. We put a special emphasis on the case of hexagonal cross sections. The energy positions of the modes for a set of azimuthal quantum numbers are shown. We demonstrate the dependence of the energy splitting between TE and TM modes versus birefringence. The polarization conversion from TE to TM with increase of the axial wave vectoris discussed for both cylindrical and discrete symmetry.Comment: 9 pages, 10 figure

Multicanonical Recursions

The problem of calculating multicanonical parameters recursively is discussed. I describe in detail a computational implementation which has worked reasonably well in practice.Comment: 23 pages, latex, 4 postscript figures included (uuencoded Z-compressed .tar file created by uufiles), figure file corrected

Extending the functionalities of shear-driven chromatography nano-channels using high aspect ratio etching

An new injection system is presented for shear-driven chromatography. The device has been fabricated by high aspect ratio etching of silicon. The performance of the injection slit is studied through the aid of computational fluid dynamics, and the first experimental results are presented