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Materials

Science at Exascale: Molecular Dynamics for Materials
4 months ago

Science at Exascale: Molecular Dynamics for Materials

By  •  4 months ago  •  Science

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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Simulations Identify Importance of Lattice Distortions in Ion-Conducting  Fuel Cell Materials
4 months ago

Simulations Identify Importance of Lattice Distortions in Ion-Conducting Fuel Cell Materials

By  •  4 months ago  •  Featured, Science

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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Titan Takes Fluoride from Taps and Toothpaste to Batteries
8 months ago

Titan Takes Fluoride from Taps and Toothpaste to Batteries

By  •  8 months ago  •  Featured, Science

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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Titan Speeds Inquiry into Engine Alloys That Can Take the Heat
11 months ago

Titan Speeds Inquiry into Engine Alloys That Can Take the Heat

By  •  11 months ago  •  Science

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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Putting the Pedal to the Metal in the Hunt for Alloys
2 years ago

Putting the Pedal to the Metal in the Hunt for Alloys

By  •  2 years ago  •  Science

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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Researchers Flip Script for Li-Ion Electrolytes to Simulate Better Batteries
3 years ago

Researchers Flip Script for Li-Ion Electrolytes to Simulate Better Batteries

By  •  3 years ago  •  Science

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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Simulation Shuffles Protons and Electrons

By  •  6 years ago  •  Science

Titan is allowing scientists to simulate proton-coupled electron transfer at a level that was previously impossible.
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Superconductor Simulation Tops 15 Petaflops on Titan
6 years ago

Superconductor Simulation Tops 15 Petaflops on Titan

By  •  6 years ago  •  Science

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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High-Risk, High-Reward Simulations
6 years ago

High-Risk, High-Reward Simulations

By  •  6 years ago  •  Science

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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Titan’s New Build Attracts Magnetic Systems Research Impossible Until Now

By  •  6 years ago  •  Science

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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Oak Ridge Leadership Computing Facility User Update: SmartTruck Systems
6 years ago

Oak Ridge Leadership Computing Facility User Update: SmartTruck Systems

By  •  6 years ago  •  Science

Startup zooms to success improving fuel efficiency of long-haul trucks by more than 10 percent
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Titan Sheds Light on Unknowns in Organic Photovoltaic Research
6 years ago

Titan Sheds Light on Unknowns in Organic Photovoltaic Research

By  •  6 years ago  •  Science

Simulations of unrivaled accuracy reveal most efficient configurations of solar cell molecules
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