Materials

Computational users at the Oak Ridge Leadership Computing Facility (OLCF) are running scientific codes on Frontier’s architecture in the form of a powerful test system at the OLCF called Crusher.

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Neuromorphic devices — which emulate the decision-making processes of the human brain — show great promise for solving pressing scientific problems, but building physical systems to realize this potential presents …
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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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