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.

The effect of dopants on the twist elastic constant and the rotational viscosity coefficient for nematics

The twist elastic constant, K2, and the rotational viscosity coefficient, γ1, are of importance when the response lime for the in-plane switching mode is studied. Since adding dopants is one technique to improve the response characteristics, the effect of dopants on these physical properties is significant. The effect on K2 and γ1 of adding alkyl(alkoxy) phenylcyclopentenones and alkyl(alkoxy) cyanobiphenyls to the base mixture ZLI-4792 together with their temperature dependence have been investigated using different temperature scales. The reduced temperature scale showed the effect of these dopants on K2 is small. On the other hand, the temperature dependence of γ1 depends on both the absolute temperature scale and the reduced temperature scale. Therefore, it is clear that the choice of temperature scale with which to compare γ1 for different systems raises fundamental questions which way not have a unique answer. 2000 OPA (Overseas Publishers Association) N.V. Published by license under the Gordon and Breach Science Publishers imprint.

Synthesis of 10 nm Ag nanoparticle polymer composite pastes for low temperature production of high conductivity films

The conversion of silver nanoparticle (NP) paste films into highly conductive films at low sintering temperature is an important requirement for the developing areas of additive fabrication and printed electronics. Ag NPs with a diameter of ∼10 nm were prepared via an improved chemical process to produce viscous paste with a high wt%. The paste consisted of as-prepared Ag NP and an organic vehicle of ethylcellulose that was deposited on glass and Si substrates using a contact lithographic technique. The morphology and conductivity of the imprinted paste film were measured as a function of sintering temperature, sintering time and the percentage ratio of Ag NP and ethylcellulose. The morphology and conductivity were examined using scanning electron microscopy (SEM) and a two-point probe electrical conductivity measurement. The results show that the imprinted films were efficiently converted into conducting states when exposed to sintering temperature in the range of 200-240 °C, this temperature is lower than the previously reported values for Ag paste. © 2010 Elsevier B.V. All rights reserved.

Strong flexoelectric behavior in bimesogenic liquid crystals

In this paper, we demonstrate strong flexoelectric coupling in bimesogenic liquid crystals. This strong coupling is determined via the flexoelectro-optic effect in chiral nematic liquid crystals based on bimesogenic mixtures that are doped with low concentrations of high twisting power chiral additive. Two mixtures were examined: one had a pitch length of p∼300nm, the other had a pitch length of p∼600nm. These mixtures exhibit enantiotropic chiral nematic phases close to room temperature. We found that full-intensity modulation, that is, a rotation of the optic axis of 45° between crossed polarizers, could be achieved at significantly lower applied electric fields (E<5Vμm -1) than previously reported. In fact, for the condition of full-intensity modulation, the lowest electric-field strength recorded was E=2Vμm-1. As a result of a combination of the strong flexoelectric coupling and a divergence in the pitch, tilt angles of the optic axis up to 87°, i.e., a rotation of the optic axis through 174°, were observed. Furthermore, the flexoelastic ratios, which may be considered as a figure-of-merit parameter, were calculated from the results and found to be large, ranging from 1.3to2C/Nm for a temperature range of up to 40°C. © 2006 American Institute of Physics.

Effect of polymer concentration on stabilized large-tilt-angle flexoelectro-optic switching

In this letter, the uniform lying helix (ULH) liquid crystal texture, required for the flexoelectro-optic effect, is polymer stabilized by the addition of a small percentage of reactive mesogen to a high-tilt-angle (φ>60°) bimesogenic chiral nematic host. The electro-optic response is measured for a range of reactive mesogen concentration mixtures, and compared to the large-tilt-angle switch of the pure chiral nematic mixture. The optimum concentration of reactive mesogen, which is found to provide ample stabilization of the texture with minimal impact on the electro-optic response, is found to be approximately 3%. Our results indicate that polymer stabilization of the ULH texture using a very low concentration of reactive mesogen is a reliable way of ruggedizing flexoelectro-optic devices without interfering significantly with the electro-optics of the effect, negating the need for complicated surface alignment patterns or surface-only polymerization. The polymer stabilization is shown to reduce the temperature dependence of the flexoelectro-optic response due to "pinning" of the chiral nematic helical pitch. This is a restriction of the characteristic thermochromic behavior of the chiral nematic. Furthermore, selection of the temperature at which the sample is ultraviolet cured allows the tilt angle to be optimized for the entire chiral nematic temperature range. The response time, however, remains more sensitive to operating temperature than curing temperature. This allows the sample to be cured at low temperature and operated at high temperature, providing simultaneous optimization of these two previously antagonistic performance aspects. © 2006 American Institute of Physics.

The development of aerodynamic performance measurements in a transient test facility

Transient test facilities offer the potential for the simultaneous study of turbine aerodynamic performance, unsteady flow phenomena and the heat transfer characteristics of a turbine stage. This paper describes the development of aerodynamic performance measurement techniques in the Oxford Rotor Facility (ORF). The solutions to the technological issues involved with transient testing presented in this paper are expected to achieve levels of precision uncertainty comparable with traditional steady flow test rigs. The theoretical background to the measurement of aerodynamic performance is presented together with a comprehensive pre-test uncertainty analysis. The instrumentation scheme for the measurement of stage mass flow rate is discussed in detail, the measurements of shaft power, total inlet enthalpy, and stage pressure ratio are also outlined. The current working section features a 62% scale, 1-1/2 stage, high-pressure shroudless transonic turbine. The required inlet flow conditions are provided by an Isentropic Light Piston Tunnel (ILPT) with a quasi-steady state run time of approximately 70ms. The testing is conducted at engine representative specific speed, pressure ratio, gas-to-wall temperature ratio, Mach number and Reynolds number.

Numerical analysis of the coupled circuit and cooling holes for an electromagnetic shaker

This paper presents a time-stepping shaker modeling scheme. The new method improves the accuracy of analysis of armature-position-dependent inductances and force factors, analysis of axial variation of current density in copper plates (short-circuited turns), and analysis of cooling holes in the magnetic circuit. Linear movement modeling allows armature position to be precisely included in the shaker analysis. A more accurate calculation of eddy currents in the coupled circuit is in particular crucial for the shaker analysis in a mid-or high-frequency operation range. Large currents in a shaker, including eddy currents, incur large Joule losses, which in turn require the use of a cooling system to keep temperature at bay. Sizable cooling holes have influence on the saturation state of iron poles, and hence have to be properly taken into account.

The Ic behavior of 2G YBCO tapes under DC/AC magnetic fields at various temperatures

In order to design a High Temperature Superconducting (HTS) machine that is able to operate safely and reliably, studies on the characterization of Second Generation (2G) HTS tapes are of paramount importance. This paper presents an experimental setup to measure critical current of 2G HTS tapes in high DC magnetic fields (up to 5 Tesla) with an AC current ripple superimposed, as well as various temperatures ranging from 25 K to 77 K. The 2G tape measured is the SGS12050 coated conductor made by SuperPower. The critical current is measured by a flux vector with reference to the widest sample face from 0 to 90 degrees in 10 degree steps. Smaller steps are required close to 0 . A Variable Temperature Insert (VTI) is utilized to control temperature change. © 2010 IEEE.

Coupled thermal-magnetic analysis on thermally actuated superconducting flux pump

This paper presents numerical analysis of the thermally actuated superconducting flux pump. Visualization of the behavior of the magnetic flux helps our understanding of flux injection mechanism. In addition, in order to confirm validity of the result, we conducted a preliminary flux pump experiment. This result qualitatively agrees well with the experimental one. The flux pump system utilizes a particular behavior that permeability of some materials such as Gadolinium is sensitive to the temperature. In this paper a simple heater is used to control the flux pump system. © 2010 IEEE.

Gasoline fuelled partially premixed compression ignition in a light duty multi cylinder engine: A study of low load and low speed operation

The objective of this study was to examine the operating characteristics of a light duty multi cylinder compression ignition engine with regular gasoline fuel at low engine speed and load. The effects of fuel stratification by means of multiple injections as well as the sensitivity of auto-ignition and burn rate to intake pressure and temperature are presented. The measurements used in this study included gaseous emissions, filter smoke opacity and in-cylinder indicated information. It was found that stable, low emission operation was possible with raised intake manifold pressure and temperature, and that fuel stratification can lead to an increase in stability and a reduced reliance on increased temperature and pressure. It was also found that the auto-ignition delay sensitivity of gasoline to intake temperature and pressure was low within the operating window considered in this study. Nevertheless, the requirement for an increase of pressure, temperature and stratification in order to achieve auto-ignition time scales small enough for combustion in the engine was clear, using pump gasoline. Copyright © 2009 SAE International.

Exhaust gas ignition (EGI)-a new concept for rapid light-off of automotive exhaust catalyst

Increasing pressure on lowering vehicle exhaust emissions to meet stringent California and Federal 1993/1994 TLEV emission standards of 0.125 gpm NMOG, 3.4 gpm CO and 0.4 gpm NOx and future ULEV emission standards of 0.04 gpm NMOG, 1.7 gpm CO and 0.2 gpm NOx has focused specific attention on the cold start characteristics of the vehicle's emission system, especially the catalytic converter. From test data it is evident that the major portion of the total HC and CO emissions occur within the first two minutes of the driving cycle while the catalyst is heating up to operating temperature. The use of an electrically heated catalyst (EHC) has been proposed to alleviate this problem but the cost and weight penalties are high and the durability has yet to be fully demonstrated (1)*. This paper describes a method of reducing the light-off time of the catalytic converter to less than 20 seconds by means of an afterburner. The system uses exhaust gases from the engine calibrated to run rich and additional air injected into the exhaust gas stream to form a combustible mixture. The key feature concerns the method of making this combustible mixture ignitable within 2 seconds from starting the engine when the exhaust gases arriving at the afterburner are cold and essentially non-reacting. © Copyright 1992 Society of Automotive Engineers, Inc.

Characterization of the surface acoustic wave devices based on ZnO/nanocrystalline diamond structures

Nanocrystalline ZnO films with strong (0002) texture and fine grains were deposited onto ultra-nanocrystalline diamond (UNCD) layers on silicon using high target utilization sputtering technology. The unique characteristic of this sputtering technique allows room temperature growth of smooth ZnO films with a low roughness and low stress at high growth rates. Surface acoustic wave (SAW) devices were fabricated on ZnO/UNCD structure and exhibited good transmission signals with a low insertion loss and a strong side-lobe suppression for the Rayleigh mode SAW. Based on the optimization of the layered structure of the SAW device, a good performance with a coupling coefficient of 5.2% has been realized, promising for improving the microfluidic efficiency in droplet transportation comparing with that of the ZnO/Si SAW device. An optimized temperature coefficient of frequency of -23.4 ppm°C-1 was obtained for the SAW devices with the 2.72 μm-thick ZnO and 1.1 μm-thick UNCD film. Significant thermal effect due to the acoustic heating has been redcued which is related to the temperature stability of the ZnO/UNCD SAW device. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Aberration correction for free space optical communications using rectangular zernike modal wavefront sensing

A time multiplexed rectangular Zernike modal wavefront sensor based on a nematic phase-only liquid crystal spatial light modulator and specially designed for a high power two-electrode tapered laser diode which is a compact and novel free space optical communication source is used in an adaptive beam steering free space optical communication system, enabling the system to have 1.25 GHz modulation bandwidth, 4.6° angular coverage and the capability of sensing aberrations within the system and caused by atmosphere turbulence up to absolute value of 0.15 waves amplitude and correcting them in one correction cycle. Closed-loop aberration correction algorithm can be implemented to provide convergence for larger and time varying aberrations. Improvement of the system signal-to-noise-ratio performance is achieved by aberration correction. To our knowledge, it is first time to use rectangular orthonormal Zernike polynomials to represent balanced aberrations for high power rectangular laser beam in practice. © 2014 IEEE.