Efficient sampling of atomic configurational spaces.

We describe a method to explore the configurational phase space of chemical systems. It is based on the nested sampling algorithm recently proposed by Skilling (AIP Conf. Proc. 2004, 395; J. Bayesian Anal. 2006, 1, 833) and allows us to explore the entire potential energy surface (PES) efficiently in an unbiased way. The algorithm has two parameters which directly control the trade-off between the resolution with which the space is explored and the computational cost. We demonstrate the use of nested sampling on Lennard-Jones (LJ) clusters. Nested sampling provides a straightforward approximation for the partition function; thus, evaluating expectation values of arbitrary smooth operators at arbitrary temperatures becomes a simple postprocessing step. Access to absolute free energies allows us to determine the temperature-density phase diagram for LJ cluster stability. Even for relatively small clusters, the efficiency gain over parallel tempering in calculating the heat capacity is an order of magnitude or more. Furthermore, by analyzing the topology of the resulting samples, we are able to visualize the PES in a new and illuminating way. We identify a discretely valued order parameter with basins and suprabasins of the PES, allowing a straightforward and unambiguous definition of macroscopic states of an atomistic system and the evaluation of the associated free energies.

Projective Limit Random Probabilities on Polish Spaces

A pivotal problem in Bayesian nonparametrics is the construction of prior distributions on the space M(V) of probability measures on a given domain V. In principle, such distributions on the infinite-dimensional space M(V) can be constructed from their finite-dimensional marginals---the most prominent example being the construction of the Dirichlet process from finite-dimensional Dirichlet distributions. This approach is both intuitive and applicable to the construction of arbitrary distributions on M(V), but also hamstrung by a number of technical difficulties. We show how these difficulties can be resolved if the domain V is a Polish topological space, and give a representation theorem directly applicable to the construction of any probability distribution on M(V) whose first moment measure is well-defined. The proof draws on a projective limit theorem of Bochner, and on properties of set functions on Polish spaces to establish countable additivity of the resulting random probabilities.

Process development on the monolithic fabrication of an ultra-compact 4×4 optical switch matrix on InP/InGaAsP material

We have fabricated an ultra-compact 4×4 optical matrix on InP/InGaAsP material. 1×4 MMI couplers and TIR mirrors are employed to produce a compact 1×2 mm2 device. A CH4/H2/O2 RIE dry etch process has been used to realize two-level dry etching: deep-etch for both the MMI couplers and the mirrors and shallow-etch for the rest of the routing waveguides. It was found that a metal/dielectric bilayer mask is essential for multi-dry-etch processes and high profile verticality. We have found a Ti intermediate mask for the deep-etch process which is removable by SF6 dry-etch before the following shallow process. Dry-etch removal of the intermediate mask is necessary to protect the deep-etched mirror sidewall.

Algorithm for identification in the v-gap metric

This paper suggests a method for identification in the v-gap metric. For a finite number of frequency response samples, a problem for identification in the v-gap metric is formulated and an approximate solution is described. It uses an iterative technique for obtaining an L2-gap approximation. Each stage of the iteration involves solving an LMI optimisation. Given a known stabilising controller and the L2-gap approximation, it is shown how to derive a v-gap approximation.

Influence of voltage and frequency dimming on power losses in HF electronic ballasts for compact fluorescent lamps

Compact Fluorescent Lamps (CFL) incorporating electronic ballasts are widely used in lighting. In many cases the ability to dim the lamp is a requirement Dimming can be achieved by varying the voltage supplied to the inverter or by changing the switching frequency of the inverter. The effect of dimming by both approaches on the power losses in the inverter is studied in this work. The lamp and associated inverter has been modeled in PSPICE, using a behavioral model for the CFL. Predicted losses are in good agreement with experimental data obtained from calorimetry. The model was then used to determine the distribution of losses within the inverter, enabling a comparison of the effects of the two dimming methods to be made. © 2006 IEEE.

Losses in inductor-less piezoelectric transformer ballast for compact fluorescent lamps

In this study an inductor-less piezoelectric transformer (PT) based ballast for a 5 W CFL has been designed and simulated. The predictions of circuit currents and losses closely match experimentally measured values. The total simulated loss figure was confirmed against practically determined losses using a precision mini-calorimeter. Using simulation to disaggregate the total loss figure, it is seen that the PT makes the largest contribution to the total losses in such ballast.