Materials

In 2021, supercomputing at the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL) enabled new scientific breakthroughs amid the global pandemic.

From modeling small particles called quarks to …
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Can something as simple as shape fully determine whether or not proteins will bind together? Scientists are commissioning supercomputers to find out.

A team led by Sharon Glotzer, distinguished professor …
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2D nanomaterials, with a thickness of a single layer of atoms, have unique electrical and optical properties that make them good candidates for use in electronics and optical sensors. An …
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Designing materials with certain properties is the first step to making computer chips that can store more information, superconductors that could help to solve the world’s energy problems, and drugs …
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A team from ETH Zürich has been awarded the 2019 Association for Computing Machinery’s (ACM’s) Gordon Bell Prize for its work simulating quantum transport—or the transport of electric charge carriers …
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Alloys—mixtures of two or more metals—are designed to be stronger, more ductile (pliable), or more durable than pure elements. Steel is one of the most popular alloy materials, but its …
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Frontier is an exascale computer planned for delivery at the Oak Ridge Leadership Computing Facility in 2021. The system will support a wide range of scientific applications for advanced modeling …
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Ionic conduction involves the movement of ions from one location to another inside a material. The ions travel through point defects, which are irregularities in the otherwise consistent arrangement of …
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In today’s technology landscape, companies are continually making improvements to electronic devices. Bigger screens, better cameras, and smarter systems are just some of the improvements these companies promise to consumers …
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Simulations performed on the Cray XK7 Titan supercomputer at the Oak Ridge Leadership Computing Facility (OLCF) filled in a knowledge gap about high-temperature–capable alloys and inspired engineers to successfully develop …
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High-temperature alloys, often used in power plants and automobile engines, are valued in engineering because they can withstand temperatures that are a high fraction of their melting point. Operating power …
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Ever since Italian physicist Alessandro Volta invented the first battery out of a stack of copper and zinc disks separated by moistened cardboard, scientists have been searching for better battery …
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Titan is allowing scientists to simulate proton-coupled electron transfer at a level that was previously impossible.
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Researchers simulating high-temperature superconductors has topped 15 petaflops on ORNL’s Titan supercomputer. More importantly, they did it with an algorithm that substantially overcomes two major roadblocks to realistic superconductor modeling.
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The OLCF delivered more than 374 million supercomputer core hours to 17 projects through the Department of Energy’s ALCC program—76 million hours more than expected.
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ORNL researcher is simulating the magnetic direction and strength—known as the “magnetic moment”— of nickel atoms on one of the world’s most powerful supercomputers for science research, Titan.
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