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

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

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

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

Phase Change Material (PCM) thermal stores

The application of inorganic Phase Change Material thermal stores in sustainable building design in Europe – an on-going research project