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MODELLING & ENGINEERING
Thomson Reuters and ChemAxon partner to aid life science researchers
ChemAxon and Thomson Reuters have announced a strategic partnership that will allow end users to analyse Markush structures using ChemAxon’s JChem chemical software platform. Part of Thomson Reuters’ Derwent World Patents Index (DWPISM) database, the Markush structures database contains essential data on the relationship or ‘families’ of 550,000 patents and is a resource for life sciences patentability research, competitive intelligence and IP screening. ChemAxon’s JChem software allows life science professionals to structure and visualise chemical compounds for property
prediction, virtual synthesis, screening and drug design. ‘The ability to search and visualise complex chemical patents is critical to the work of life science R&D professionals. To date, however, this has been a challenge as there wasn’t a tool that enabled R&D end users to do this type of work themselves,’ said Cindy Poulos, vice president of product management, Thomson Reuters. ‘Through this partnership, Thomson Reuters and ChemAxon are making a comprehensive worldwide database of chemical compounds widely accessible in a user-friendly, fl exible format.’
ELECTROMAGNETIC DESIGN SOFTWARE SPEEDS SYSTEM DEVELOPMENT
Cobham Technical Services’ Opera electromagnetic design software is aiding in the development of a contactless distributed power supply system for modular automation components, by a team lead by Hans-Peter Schmidt at The University of Applied Sciences in Amberg, Germany.
The contactless power system is being developed by the university’s Faculty of Electrical Engineering and Information Technology under a publicly funded research programme, and is about to move from design concept to prototype evaluation. During this process the software was used to evaluate the coupling effi ciency of different system layouts, perform basic fi eld measurements and assess the effect of various types of magnetic shielding on eddy currents.
30 SCIENTIFIC COMPUTING WORLD
Principally intended for industrial control and instrumentation applications, where it will be used for powering and communicating with remote I/O sensors and actuators, the system uses magnetic induction to facilitate the transfer of power and data between an input coupling device and a number of physically separate devices distributed along the length of a ‘backbone’. Currently, the system is capable of achieving up to 90 per cent power transfer effi ciency with ten pick-up modules, each demanding between one and two Watts, and data transfer rates of up to two Mbps. It is envisaged that these performance fi gures will increase by at least an order of magnitude as the project progresses over the next year.
Cleveland Golf turns to MapleSim
Engineers from Cleveland Golf have selected MapleSim, a physical modelling and simulation tool from Maplesoft, to
help them increase the performance of their drivers. In particular, they were looking for an effi cient model which would allow them to explore the effects of different shaft designs on club performance. With the help of John McPhee, NSERC Industrial Research Chair and professor of Systems Design Engineering at the University of Waterloo, they used MapleSim to create a model of a driver. The shaft itself was modelled using MapleSim’s built-in fl exible beam component, while the driver head model was carefully designed to include the exact characteristics of the Cleveland Golf driver head, including factors such as its mass and moments of inertia.
To simulate a variety of swings from different players,
experimental measurements were taken from varsity
players on the university golf team. This information was input into the model as the six degree-of-freedom motion of the grip – which, in turn, determined the movement of the shaft. Different versions of this base model were created by modifying model parameters to match the properties of the different club designs. When the models were validated against the experimental data, good to very good agreement was found between the simulation and the experimental data for club head speed and the dynamic loft and droop at the instant of contact with the ball. In addition, the MapleSim models were found to run signifi cantly faster than similar models based on fi nite- element techniques.
QLogic announces record performance with Ansys Fluent
QLogic has announced that it has achieved class-leading Ansys Fluent 12.1 benchmark performance on IBM iDataPlex servers running QLogic 7300 Series Infi niBand host adapters and Intel 5670 processors. The results show that QLogic TrueScale Infi niBand fabrics deliver the industry’s highest published performance with Ansys Fluent applications. The test was performed with a 32-node/384-core HPC cluster consisting of IBM iDataPlex servers running Intel Xeon 5670 ‘Westmere’ processors, QLogic 7300 Series QDR Infi niBand adapters and QLogic 12000 Series QDR Infi niBand
switches. The results were based on a single plane/rail Infi niBand fabric confi guration, and beat most of the published results for systems with dual plane Infi niBand confi gurations from other server and Infi niBand vendors. QLogic’s TrueScale performance advantage averages 16 per cent for the three largest benchmark models versus previously-published single-rail confi gurations. Versus dual-rail implementations, TrueScale’s single-rail performance is more than four percent faster for these three models, but with essentially half the Infi niBand equipment.
www.scientific-computing.com
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