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Primeur weekly 2014-05-26

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The N4S Programme is building new infrastructure for industrial software applications ...

The Sprint-model in large projects ...

Interview with David Wallom about the launch of the Federated Cloud as a production service ...

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Improved computer simulations enable better calculation of interfacial tension


20 May 2014 Mainz - Computer simulations play an increasingly important role in the description and development of new materials. Yet, despite major advances in computer technology, the simulations in statistical physics are typically restricted to systems of up to a few 100,000 particles, which is many times smaller than the actual material quantities used in typical experiments. Researchers therefore use so-called finite-size corrections in order to adjust the results obtained for comparatively small simulation systems to the macroscopic scale. A team of researchers from Johannes Gutenberg University Mainz (JGU) has now succeeded in better understanding how this technique works when it is used to assess interfacial tension, thus enabling more accurate predictions.

The interfacial tension is an important physical quantity of many phenomena, such as the nucleation of water droplets in the atmosphere, the crystallization of proteins from solutions, and the growth and stability of nanocrystals. It occurs at the interface between different phases of a material, i.e., on the transition between solid, liquid, and gaseous phases. However, the interfacial tension is difficult to measure experimentally, and reliable analytical theories about it are also lacking. Thus it is of particular importance to develop computer simulation techniques for this phenomenon.

Using an innovative simulation method, Fabian Schmitz, Dr. Peter Virnau, and Professor Kurt Binder of the Condensed Matter Theory group at JGU's Institute of Physics have now succeeded in gaining a better understanding of the nature of finite-size corrections in the determination of interfacial tension. This work, achieved only after several million CPU hours on the Mainz supercomputer MOGON, will in the future help researchers to analyze interfacial tension with the highest precision by means of simulations. The results were published in the leading journalPhysical Review Letters.

High-performance computing becomes increasingly important at Johannes Gutenberg University Mainz. The planned new supercomputer MOGON II is expected to replace the current system in the first quarter of 2016. It is expected that MOGON II will be among the top 100 fastest high-performance computers worldwide.

The paper "Determination of the Origin and Magnitude of Logarithmic Finite-Size Effects on Interfacial Tension: Role of Interfacial Fluctuations and Domain Breathing", written by Fabian Schmitz, Peter Virnau, and Kurt Binder appeared inPhysical Review Letterson 26 March 2014 - DOI: 10.1103/PhysRevLett.112.125701.
Source: Johannes Gutenberg Universitaet Mainz

Back to Table of contents

Primeur weekly 2014-05-26

Special

The N4S Programme is building new infrastructure for industrial software applications ...

The Sprint-model in large projects ...

Interview with David Wallom about the launch of the Federated Cloud as a production service ...

David Wallom to recommend the EGI Federated Cloud as a production IaaS infrastructure for the European Economic Area ...

The Cloud

Fujitsu enhances suite of private Cloud platform products with support for OpenStack ...

Oracle Managed Cloud Services earns elite status for federal deployments ...

SoftLayer helps Mankind Pharma drive business growth ...

EuroFlash

Bull aims at delivering operational excellence for IT Departments ...

Computer models helping unravel the science of life? ...

Improved computer simulations enable better calculation of interfacial tension ...

Atos to acquire Bull to create a European global leader in Cloud, Cybersecurity, and Big Data ...

USFlash

TDC provides core video expertise for largest-ever light festival Vivid Sydney ...

Scientists study biomechanics behind amazing ant strength ...

The University of Tsukuba in Japan puts additional Cray CS300 cluster supercomputer into production ...

Mellanox collaborates with DataON to provide Cluster-in-a-Box storage appliance ...

Supermicro announces storage solutions optimized for extreme scale-out object-storage applications ...

Don't blink: NIST studies why quantum dots suffer from 'fluorescence intermittency' ...

Red Hat delivers powerful new capabilities in OpenShift Enterprise 2.1 ...

Inventors of Analytics System forerunner inducted into National Inventors Hall of Fame ...

UChicago to lead quantum engineering research team ...

New analysis eliminates a potential speed bump in quantum computing ...

Advance brings 'hyperbolic metamaterials' closer to reality ...

NIWA supercomputer back on-line ...