Computer program for compressible flow network analysis

Program solves problem of an arbitrarily connected one dimensional compressible flow network with pumping in the channels and momentum balancing at flow junctions. Program includes pressure drop calculations for impingement flow and flow through pin fin arrangements, as currently found in many air cooled turbine bucket and vane cooling configurations

Suppression of intrinsic neutron background in the Multi-Grid detector

One of the key requirements for neutron scattering instruments is the Signal-to-Background ratio (SBR). This is as well a design driving requirement for many instruments at the European Spallation Source (ESS), which aspires to be the brightest neutron source of the world. The SBR can be effectively improved with background reduction. The Multi-Grid, a large-area thermal neutron detector with a solid boron carbide converter, is a novel solution for chopper spectrometers. This detector will be installed for the three prospective chopper spectrometers at the ESS. As the Multi-Grid detector is a large area detector with a complex structure, its intrinsic background and its suppression via advanced shielding design should be investigated in its complexity, as it cannot be naively calculated. The intrinsic scattered neutron background and its effect on the SBR is determined via a detailed Monte Carlo simulation for the Multi-Grid detector module, designed for the CSPEC instrument at the ESS. The impact of the detector vessel and the neutron entrance window on scattering is determined, revealing the importance of an optimised internal detector shielding. The background-reducing capacity of common shielding geometries, like side-shielding and end-shielding is determined by using perfect absorber as shielding material, and common shielding materials, like B$_{4}$C and Cd are also tested. On the basis of the comparison of the effectiveness of the different shielding topologies and materials, recommendations are given for a combined shielding of the Multi-Grid detector module, optimised for increased SBR.Comment: 26 pages, 18 figures, revise

A Predictive Algorithm For Wetlands In Deep Time Paleoclimate Models

Methane is a powerful greenhouse gas produced in wetland environments via microbial action in anaerobic conditions. If the location and extent of wetlands are unknown, such as for the Earth many millions of years in the past, a model of wetland fraction is required in order to calculate methane emissions and thus help reduce uncertainty in the understanding of past warm greenhouse climates. Here we present an algorithm for predicting inundated wetland fraction for use in calculating wetland methane emission fluxes in deep time paleoclimate simulations. The algorithm determines, for each grid cell in a given paleoclimate simulation, the wetland fraction predicted by a nearest neighbours search of modern day data in a space described by a set of environmental, climate and vegetation variables. To explore this approach, we first test it for a modern day climate with variables obtained from observations and then for an Eocene climate with variables derived from a fully coupled global climate model (HadCM3BL-M2.2). Two independent dynamic vegetation models were used to provide two sets of equivalent vegetation variables which yielded two different wetland predictions. As a first test the method, using both vegetation models, satisfactorily reproduces modern data wetland fraction at a course grid resolution, similar to those used in paleoclimate simulations. We then applied the method to an early Eocene climate, testing its outputs against the locations of Eocene coal deposits. We predict global mean monthly wetland fraction area for the early Eocene of 8 to 10 × 106km2 with corresponding total annual methane flux of 656 to 909 Tg, depending on which of two different dynamic global vegetation models are used to model wetland fraction and methane emission rates. Both values are significantly higher than estimates for the modern-day of 4 × 106km2 and around 190Tg (Poulter et. al. 2017, Melton et. al., 2013

Ligand-based virtual screening using binary kernel discrimination

This paper discusses the use of a machine-learning technique called binary kernel discrimination (BKD) for virtual screening in drug- and pesticide-discovery programmes. BKD is compared with several other ligand-based tools for virtual screening in databases of 2D structures represented by fragment bit-strings, and is shown to provide an effective, and reasonably efficient, way of prioritising compounds for biological screening

Variable-camber systems integration and operational performance of the AFTI/F-111 mission adaptive wing

The advanced fighter technology integration, the AFTI/F-111 aircraft, is a preproduction F-111A testbed research airplane that was fitted with a smooth variable-camber mission adaptive wing. The camber was positioned and controlled by flexing the upper skins through rotary actuators and linkages driven by power drive units. The wing camber and control system are described. The measured servoactuator frequency responses are presented along with analytical predictions derived from the integrated characteristics of the control elements. A mission adaptive wing system chronology is used to illustrate and assess the reliability and dependability of the servoactuator system during 1524 hours of ground tests and 145 hours of flight testing

Performance evaluation of the Boron Coated Straws detector with Geant4

The last decade has witnessed the development of several alternative neutron detector technologies, as a consequence of upcoming neutron sources and upgrades, as well the world-wide shortage of $^3$He. One branch of development is the family of $^{10}$B-based gaseous detectors. This work focuses on the boron coated straws (BCS) by Proportional Technologies Inc., a commercial solution designed for use in homeland security and neutron science. A detailed Geant4 simulation study of the BCS is presented, which investigates various aspects of the detector performance, e.g. efficiency, activation, absorption and the impact of scattering on the measured signal. The suitability of the BCS detector for Small Angle Neutron Scattering (SANS), direct chopper spectrometry and imaging is discussed.Comment: 50 pages, 37 figures, minor changes after review, results unchange

Higher Order, Hybrid BEM/FEM Methods Applied to Antenna Modeling

In this presentation, the authors address topics relevant to higher order modeling using hybrid BEM/FEM formulations. The first of these is the limitation on convergence rates imposed by geometric modeling errors in the analysis of scattering by a dielectric sphere. The second topic is the application of an Incomplete LU Threshold (ILUT) preconditioner to solve the linear system resulting from the BEM/FEM formulation. The final tOpic is the application of the higher order BEM/FEM formulation to antenna modeling problems. The authors have previously presented work on the benefits of higher order modeling. To achieve these benefits, special attention is required in the integration of singular and near-singular terms arising in the surface integral equation. Several methods for handling these terms have been presented. It is also well known that achieving ~he high rates of convergence afforded by higher order bases may als'o require the employment of higher order geometry models. A number of publications have described the use of quadratic elements to model curved surfaces. The authors have shown in an EFIE formulation, applied to scattering by a PEC .sphere, that quadratic order elements may be insufficient to prevent the domination of modeling errors. In fact, on a PEC sphere with radius r = 0.58 Lambda(sub 0), a quartic order geometry representation was required to obtain a convergence benefi.t from quadratic bases when compared to the convergence rate achieved with linear bases. Initial trials indicate that, for a dielectric sphere of the same radius, - requirements on the geometry model are not as severe as for the PEC sphere. The authors will present convergence results for higher order bases as a function of the geometry model order in the hybrid BEM/FEM formulation applied to dielectric spheres. It is well known that the system matrix resulting from the hybrid BEM/FEM formulation is ill -conditioned. For many real applications, a good preconditioner is required to obtain usable convergence from an iterative solver. The authors have examined the use of an Incomplete LU Threshold (ILUT) preconditioner . to solver linear systems stemming from higher order BEM/FEM formulations in 2D scattering problems. Although the resulting preconditioner provided aD excellent approximation to the system inverse, its size in terms of non-zero entries represented only a modest improvement when compared with the fill-in associated with a sparse direct solver. Furthermore, the fill-in of the preconditioner could not be substantially reduced without the occurrence of instabilities. In addition to the results for these 2D problems, the authors will present iterative solution data from the application of the ILUT preconditioner to 3D problems

Scaffold searching: automated identification of similar ring systems for the design of combinatorial libraries

Rigid ring systems can be used to position receptor-binding functional groups in 3D space and they thus play an increasingly important role in the design of combinatorial libraries. This paper discusses the use of shape-similarity methods to identify ring systems that are structurally similar to, and aligned with, a user-defined target ring system. These systems can be used as alternative scaffolds for the construction of a combinatorial library