Machine learning for predictive condensed-phase simulation

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using accurate, correlated quantum chemistry, and predict energies and forces in molecular aggregates ranging from clusters to solid and liquid phases. The widely used electronic-structure methods based on density-functional theory (DFT) give poor accuracy for molecular materials like water, and we show how our techniques can be used to generate systematically improvable corrections to DFT. The resulting corrected DFT scheme gives remarkably accurate predictions for the relative energies of small water clusters and of different ice structures, and greatly improves the description of the structure and dynamics of liquid water.

Gaussian Processes for Machine Learning

The code provided here originally demonstrated the main algorithms from Rasmussen and Williams: Gaussian Processes for Machine Learning. It has since grown to allow more likelihood functions, further inference methods and a flexible framework for specifying GPs.

A framework for collecting inclusive design data for the UK population.

Successful inclusive product design requires knowledge about the capabilities, needs and aspirations of potential users and should cater for the different scenarios in which people will use products, systems and services. This should include: the individual at home; in the workplace; for businesses, and for products in these contexts. It needs to reflect the development of theory, tools and techniques as research moves on. And it must also to draw in wider psychological, social, and economic considerations in order to gain a more accurate understanding of users' interactions with products and technology. However, recent research suggests that although a number of national disability surveys have been carried out, no such knowledge currently exists as information to support the design of products, systems and services for heterogeneous users. This paper outlines the strategy behind specific inclusive design research that is aimed at creating the foundations for measuring inclusion in product designs. A key outcome of this future research will be specifying and operationalising capability, and psychological, social and economic context measures for inclusive design. This paper proposes a framework for capturing such information, describes an early pilot study, and makes recommendations for better practice.

Detailed thermal modelling of a tubular linear machine for marine renewable generation

A detailed lumped-parameter thermal model is presented for a tubular linear machine that has been designed for use in a marine environment. The model has been developed for a static machine, the worst-case thermal scenario, and is used to establish a rating for the machine. The model has been validated against a large range of experimental tests and shows good correlation to both steady-state and transient experimental results. The model was constructed from a mostly theoretical basis with very little calibration, suggesting that the techniques used are applicable in a more general sense. © 2013 IEEE.

Autoignition of alcohols and ethers in a rapid compression machine

The autoignition characteristics of methanol, ethanol and MTBE (methyl tert-butyl ether) have been investigated in a rapid compression machine at pressures in the range 20-40 atm and temperatures within 750-1000 K. All three oxygenated fuels tested show higher autoignition temperatures than paraffins, a trend consistent with the high octane number of these fuels. The autoignition delay time for methanol was slightly lower than predicted values using reported reaction mechanisms. However, the experimental and measured values for the activation energy are in very good agreement around 44 kcal/mol. The measured activation energy for ethanol autoignition is in good agreement with previous shock tube results (31 kcal/mol), although ignition times predicted by the shock tube correlation are a factor of three lower than the measured values. The measured activation energy for MTBE, 41.4 kcal/mol, was significantly higher than the value previously observed in shock tubes (28.1 kcal/mol). The onset of preignition, characterized by a slow energy release prior to early ignition was observed in some instances. Possible reasons for these ocurrences are discussed. © Copyright 1993 Society of Automotive engineers, Inc.

N-gram posterior probability confidence measures for statistical machine translation: An empirical study

We report an empirical study of n-gram posterior probability confidence measures for statistical machine translation (SMT). We first describe an efficient and practical algorithm for rapidly computing n-gram posterior probabilities from large translation word lattices. These probabilities are shown to be a good predictor of whether or not the n-gram is found in human reference translations, motivating their use as a confidence measure for SMT. Comprehensive n-gram precision and word coverage measurements are presented for a variety of different language pairs, domains and conditions. We analyze the effect on reference precision of using single or multiple references, and compare the precision of posteriors computed from k-best lists to those computed over the full evidence space of the lattice. We also demonstrate improved confidence by combining multiple lattices in a multi-source translation framework. © 2012 The Author(s).

Sensorless commutation of a two-phase linear machine for marine renewable power generation

A sensorless scheme is presented for a two-phase permanent-magnet linear machine targeted for use in marine wave-power generation. This is a field where system reliability is a key concern. The scheme is able to extract the effective inductance and back-emf of the machine's phases simultaneously from measurements of the current ripple present on the power electronic converter. These measurements can then be used to estimate position. An enhancement to the scheme in the presence of spatially-varying mutual inductance between phases allows more accurate and reliable tracking from indutance-based measurements than would otherwise be expected. This scheme is able to operate at any speed including, critically, when stationary. Experimental results show promise for the scheme, although some work to reduce the level of noise would be desirable. © 2013 IEEE.

Dynamic modelling of the brushless doubly fed machine

A coupled-circuit model for the brushless doubly fed machine (BDFM) has been developed. The transformation of the model into the d-q axis form, ultimately in a synchronous reference frame in which machine currents and voltages have constant values in the steady state, has been carried out. A model-reduction technique is presented, which gives a concise representation of the 'nested-loop' rotor design using a single d-q pair. These models have been experimentally verified and give a convenient and accurate way of calculating the dynamic behaviour of a BDFM. The ability to represent the BDFM with a single d-q pair considerably simplifies the design of suitable controllers. © The Institution of Engineering and Technology 2013.

Design and market considerations for axial flux superconducting electric machine design

In this paper, the authors investigate a number of design and market considerations for an axial flux superconducting electric machine design that uses high temperature superconductors. The axial flux machine design is assumed to utilise high temperature superconductors in both wire (stator winding) and bulk (rotor field) forms, to operate over a temperature range of 65-77 K, and to have a power output in the range from 10s of kW up to 1 MW (typical for axial flux machines), with approximately 2-3 T as the peak trapped field in the bulk superconductors. The authors firstly investigate the applicability of this type of machine as a generator in small- and medium-sized wind turbines, including the current and forecasted market and pricing for conventional turbines. Next, a study is also carried out on the machine's applicability as an in-wheel hub motor for electric vehicles. Some recommendations for future applications are made based on the outcome of these two studies. Finally, the cost of YBCO-based superconducting (2G HTS) wire is analysed with respect to competing wire technologies and compared with current conventional material costs and current wire costs for both 1G and 2G HTS are still too great to be economically feasible for such superconducting devices.

High-performance bowing machine tests of bowed-string transients

The development is described of a computer-controlled bowing machine that can bow a string with a range of gestures that match or exceed the capabilities of a human violinist. Example measurements of string vibration under controlled bowing conditions are shown, including a Schelleng diagram and a set of Guettler diagrams, for the open D string of a cello. For some results a rosin-coated rod was used in place of a conventional bow, to provide quantitative data for comparison with theoretical predictions. The results show qualitative consistency with the predictions of Schelleng and Guettler, but details are revealed that go beyond the limitations of existing models. © S. Hirzel Verlag · EAA.

Predominant expression and cellular distribution of fish Agr2 in renal collecting system

Anterior gradient 2 (Agr2) genes encode secretory proteins, and play significant roles in anterior-posterior patterning and tumor metastasis. Agr2 transcripts were shown to display quite diverse tissue distribution in different species, and little was known about the cellular localization of Agr2 proteins. In this study, we identified an Agr2 homologue from gibe[ carp (Carassius auratus gibelio), and revealed the expression patterns and cellular localization during embryogenesis and in adult tissues. The full-length cDNA of CagAgr2 is 803 nucleotides (nt) with an open reading frame of 510 nt encoding 169 amino acids. The Agr2 C-terminus matches to the class I PDZ-interacting motif, suggesting that it might be a PDZ-binding protein. During embryogenesis, CagAgr2 was found to be transcribed in the mucus-secreting hatching gland from tailbud stage and later in the pharynx region, swim bladder and pronephric duct as revealed by RT-PCR and whole mount in situ hybridization. In the adult fish, its transcription was predominantly confined to the kidney, and lower transcription levels were also found in the intestine, ovary and gills. To further localize the Agr2 protein, the anti-CagAgr2 polyclonal antibody was produced and used for immunofluorescence observation. In agreement with mRNA expression data, the Agr2 protein was localized in the pronephric duct of 3dph larvae. In adult fish, Agr2 protein expression is confined to the renal collecting system with asymmetric distribution along the apical-basolateral axis. The data provided suggestive evidence that fish Agr2 might be involved in differentiation and secretory functions of kidney epithelium. (C) 2009 Elsevier Inc. All rights reserved.

Decoupling method for vector control of the brushless doubly-fed machine

The brushless doubly-fed machine exhibits rotor-speed-dependent, cross-coupling effects between inputs and outputs when vector control is implemented. Manipulation of the model equations shows that these effects are represented by rotation angles. A parameter-independent decoupling method is presented which reduces these cross-coupling disturbances by estimating the rotation angle and applying it back to the controller. © 2013 IEEE.