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.

Gas properties as a limit to gas turbine performance

Although increasing the turbine inlet temperature has traditionally proved the surest way to increase cycle efficiency, recent work suggests that the performance of future gas turbines may be limited by increased cooling flows and losses. Another limiting scenario concerns the effect on cycle performance of real gas properties at high temperatures. Cycle calculations of uncooled gas turbines show that when gas properties are modelled accurately, the variation of cycle efficiency with turbine inlet temperature at constant pressure ratio exhibits a maximum at temperatures well below the stoichiometric limit. Furthermore, the temperature at the maximum decreases with increasing compressor and turbine polytropic efficiency. This behaviour is examined in the context of a two-component model of the working fluid. The dominant influences come from the change of composition of the combustion products with varying air/fuel ratio (particularly the contribution from the water vapour) together with the temperature variation of the specific heat capacity of air. There are implications for future industrial development programmes, particularly in the context of advanced mixed gas-steam cycles.

Heat release rate measurement in turbulent flames

The dominant industrial approach for the reduction of NO x emissions in industrial gas turbines is the lean pre-mixed prevaporized concept. The main advantage of this concept is the lean operation of the combustion process; this decreases the heat release rate from the flame and results in a reduction in operating temperature. The direct measurement of heat release rates via simultaneous laser induced fluorescence of OH and CH 2O radicals using planar laser induced fluorescence. The product of the two images correlated with the forward production rate of the HCO radical, which in turn has correlated well with heat release rates from premixed hydrocarbon flames. The experimental methodology of the measurement of heat release rate and applications in different turbulent premixed flames were presented. This is an abstract of a paper presented at the 7th World Congress of Chemical Engineering (Glasgow, Scotland 7/10-14/2005).

On the selective removal of steel by laser-assisted vortex machining

Of all laser-based processes, laser machining has received little attention compared with others such as cutting, welding, heat treatment and cleaning. The reasons for this are unclear, although much can be gained from the development of an effcient laser machining process capable of processing diffcult materials such as high-performance steels and aerospace alloys. Existing laser machining processes selectively remove material by melt shearing and evaporation. Removing material by melting and evaporation leads to very low wall plug effciencies, and the process has difficulty competing with conventional mechanical removal methods. Adopting a laser machining solution for some materials offers the best prospects of effcient manufacturing operations. This paper presents a new laser machining process that relies on melt shear removal provided by a vertical high-speed gas vortex. Experimental and theoretical studies of a simple machining geometry have identifed a stable vortex regime that can be used to remove laser-generated melt effectively. The resultant combination of laser and vortex is employed in machining trials on 43A carbon steel. Results have shown that laser slot machining can be performed in a stable regime at speeds up to 150mm/min with slot depths of 4mm at an incident CO2 laser power level of 600 W. Slot forming mechanisms and process variables are discussed for the case of steel. Methods of bulk machining through multislot machining strategies are also presented.

Improved transmission performance of adaptively modulated optical OFDM signals over directly modulated DFB laser-based IMDD links using adaptive cyclic prefix.

The impact of Adaptive Cyclic Prefix (ACP) on the transmission performance of Adaptively Modulated Optical OFDM (AMOOFDM) is explored thoroughly in directly modulated DFB laser-based, IMDD links involving Multimode Fibres (MMFs)/Single-Mode Fibres (SMFs). Three ACP mechanisms are identified, each of which can, depending upon the link properties, affect significantly the AMOOFDM transmission performance. In comparison with AMOOFDM having a fixed cyclic prefix duration of 25%, AMOOFDM with ACP can not only improve the transmission capacity by a factor of >2 (>1.3) for >1000 m MMFs (<80 km SMFs) with 1 dB link loss margin enhancement, but also relax considerably the requirement on the DFB bandwidth.

Investigation of self excited and acoustically forced combustion instabilities with laser diagnostics

Combustion oscillations in gas turbines can result in serious damage. One method used to predict such oscillations is to analyze the combustor acoustics using a simple linear model. Such a model requires a flame transfer function to describe the response of the heat release to flow perturbations inside the combustor. This paper reports on the application of Planar Laser Induced Fluorescence (PLIF) of OH radicals to analyze the response of a lean premixed flame to oncoming flow perturbations. Both self-excited oscillations and low amplitude forced oscillations at various frequencies are investigated in an atmospheric pressure model combustor rig. In order to visualize fluctuations of local fuel distribution, acetone-PLIF was also applied in non-reacting and acoustically forced flows at oscillation frequencies of 200 Hz and 510 Hz, respectively. OH-PLIF images were acquired over a range of operating parameters. The results presented in this paper originate from data sets acquired at fixed phase angles during the oscillation cycle. Comparative experiments in self excited and forced acoustic oscillations show that the flame and the combustion intensity develop similarly throughout the pressure cycle in both cases. Although the peak fluorescence intensities differ between self excited and the forced instabilities, there is a clear correspondence in the observed frequency and phase information from the two cases. This result encourages a comparison of the OH-PLIF and the acetone-PLIF results. Quantitative measurements of the equivalence ratio in specific areas of the measurement plane offer insight on the complex phenomena coupling acoustic perturbations, i.e. flow velocity fluctuations, to fluctuations in fuel distribution and combustion intensity, ultimately resulting in self excited combustion oscillations.

Channels that heat up

This paper considers an additive noise channel where the time-κ noise variance is a weighted sum of the squared magnitudes of the previous channel inputs plus a constant. This channel model accounts for the dependence of the intrinsic thermal noise on the data due to the heat dissipation associated with the transmission of data in electronic circuits: the data determine the transmitted signal, which in turn heats up the circuit and thus influences the power of the thermal noise. The capacity of this channel (both with and without feedback) is studied at low transmit powers and at high transmit powers. At low transmit powers, the slope of the capacity-versus-power curve at zero is computed and it is shown that the heating-up effect is beneficial. At high transmit powers, conditions are determined under which the capacity is bounded, i.e., under which the capacity does not grow to infinity as the allowed average power tends to infinity. © 2009 IEEE.