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Fujitsu, A*STAR team on petascale computing

Posted: 22 Jan 2010 ?? ?Print Version ?Bookmark and Share

Keywords:high performance computing? HPC? R&D? pentascle?

Applications underway
Through collaborative projects, both parties would explore the scaling up of algorithms for Petascale computing system and accelerate the development of massively parallel applications to solve extremely challenging problems in science and engineering.

One example is the Lattice Boltzmann Method (LBM), a simulation technique that is particularly useful in the modeling of fluids with many phases and components. Fluid dynamics typically involve microscopic particles, giving rise to complexities in calculations that traditional methods cannot fully provide solutions to. LBM, based on microscopic particle models and kinetic equations, provides the alternate numerical treatment required to solve these problems.

IHPC has developed a parallelized LBM code and has successfully implemented it in for various fluid dynamics applications such as drop dynamics, flow instability, impinging flow, bubble column, vortex ring dynamics and fluid structure interaction. The LBM method will be further improved for computational efficacy for large scale simulations.

With the completion of this study, it would provide the industry with the possibility of undertaking complex simulations without the need for excess computational resourceshence saving overhead cost and time.

Another application is calculations for adhesion studies using Quantum Espresso, an open-source software. Interfacial behavior of different materials is a key aspect in the functional property of components, particularly in the electronics sector. With the slew of new materials being developed for this sector, studies in adhesion between layers have increasingly become a key area for R&D. For example, graphenea single layer of graphitewhich has the potential to replace silicon in the next generation of microchips, is a good candidate material to evaluate its adhesive properties with different substrates. In the proposed work, we would first look at adhesion of such materials to a metal substrate, study the addition of nanoparticles to the surface and lastly look at the catalytic properties of nanoparticles. The need for large scale computing is imperative when performing such complex calculations where the focus will be to develop specific algorithms to accurately predict such behavior. This will enable engineers to develop application-specific products in a much shorter and cost effective manner.


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