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  • billion-atom reactive MD simulation of nanobubble collapse

Petascale Simulations of Stress Corrosion Cracking

The performance and lifetime of materials widely used in energy and nuclear technologies are often severely limited by corrosion under stress loads. Simulations performed at the ALCF are revealing the atomistic mechanisms that control stress-induced corrosion within nuclear reactors—which is key to understanding the phenomenon, and ultimately, to developing new technologies to prevent it.

November 12, 2012
  • computer coverage

Supercomputer Recreates Universe From Big Bang to Today

researchers are planning the most detailed, largest-scale simulation of this kind to date. One of the main mysteries they hope to solve with it is the origin of the dark energy that's causing the universe to accelerate in its expansion. The new simulation is a project led by physicists Salman Habib and Katrin Heitmann of Illinois' Argonne National Laboratory, and will run on the lab's Mira supercomputer, the third-fastest computer in the world, starting in the next month or two.

September 12, 2012
  • An illustration of the environment experience by the excess proton within the Nafion polymer membrane environment, where the hydronium cation is separated from the sulfonate sidechain by a single water molecule.

Conducting Multiscale Modeling of Energy Storage Materials for Fuel Cells, Batteries

U.S. reliance on fossil fuels is increasingly recognized as a substantial threat to national energy security and a source of global climate change. The development of batteries and fuel cells can provide viable clean energy alternatives for replacing internal combustion engines in automobiles and powering personal electronics. However, electrochemical technologies continue to lag behind fossil fuels in performance and cost. Breakthroughs are hindered by a lack of understanding of transport and catalytic mechanisms, the complexity of modeling chemical processes in the individual components of fuel cells and batteries, in addition to modeling dynamics at the interfaces between each component.

August 14, 2012
  • Cosmic Structure of the Dark Universe

Argonne Scientists Probe the Cosmic Structure of the Dark Universe

The origin of dark energy and dark matter—together accounting for 95% of the mass energy of the Universe—remains mysterious. To learn more about their ultimate nature, a team of researchers led by Argonne National Laboratory’s Salman Habib and co-PI Katrin Heitmann is carrying out some of the largest high-resolution simulations of the distribution of matter in the Universe. The researchers are resolving galaxy-scale mass concentrations over observational volumes representative of state-of-the-art sky surveys by using Mira, a petascale supercomputer at the Argonne Leadership Computing Facility (ALCF). A key aspect of the project involves developing a major simulation suite covering approximately 100 different cosmologies—an essential resource for interpreting next-generation observations. This initiative targets an approximately two- to three-orders-of-magnitude improvement over currently available resources.

July 23, 2012
  • Green 500 logo

Argonne’s Mighty Mira Joins Ranks of World’s Most Energy-Efficient Computers

The 20 most energy-efficient supercomputers in the world are IBM Blue Gene/Q systems according to the latest Green500 list announced by Green500.org. Mira, Argonne National Laboratory’s Blue Gene/Q and a U.S. Energy Department petascale resource in support of scientific research, and its two testing and development racks, are among those leading the pack.

June 29, 2012
  • Graph 500

New Argonne Supercomputer Ties for First Place on the Graph 500 Benchmark for Data-Intensive Computing

Mira, located at the Argonne Leadership Computing Facility (ALCF), and Sequoia, located at Lawrence Livermore National Laboratory, each achieved a score of over 3,500 billion graph edges per second, or 3.5 TEPS. The Graph 500 benchmark evaluates machine performance while running data-intensive analytic applications and is a measure of the machine’s communications capabilities and computational power.

June 20, 2012
  • full frontal of Mira

Argonne’s Mira Ranks Among Nation’s Fastest Science Supercomputers

Mira, Argonne National Laboratory’s new IBM Blue Gene/Q system, is the third fastest supercomputer in the world according to the TOP500 list announced today. Mira thus takes its place among the U.S. computational giants poised to propel scientific discoveries into the petascale.

June 18, 2012

Joint Initiative Expands Focus to Materials Design

The U.S. Department of Energy’s (DOE) Argonne National Laboratory and Northwestern University have appointed Pete Beckman, Director, Exascale Technology and Computing Institute at Argonne, and Peter W. Voorhees, Frank C. Engelhart Professor of Materials Science and Engineering at Northwestern, as co-directors of the Northwestern-Argonne Institute for Science and Engineering.

May 17, 2012
  • Understanding the Ultimate Battery Chemistry: Rechargeable Lithium-Air

Lithium-Air: the "Mount Everest" of Batteries for Electric Vehicles

Is it possible to produce a novel lithium-air battery that could drive a car 500 miles per charge? Researchers from Argonne and Oak Ridge leadership computing facilities and IBM Research think so.

May 08, 2012
  • Machine Learning Models

Rapid Procedure Unites Quantum Chemistry with Artificial Intelligence

By combining quantum chemistry with artificial intelligence (machine learning), researchers at the Institute for Pure and Applied Mathematics at the University of California—Los Angeles achieved a scientific breakthrough expected to aid in explori

May 08, 2012