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Materials

Forging Ahead with Frontier: Ready to Crush Science
3 months ago

Forging Ahead with Frontier: Ready to Crush Science

By  •  3 months ago  •  Featured, Science

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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Artificially Altered Material Could Accelerate Neuromorphic Device Development
5 months ago

Artificially Altered Material Could Accelerate Neuromorphic Device Development

By  •  5 months ago  •  Featured, Science

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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2021 at the OLCF: Year in Review
6 months ago

2021 at the OLCF: Year in Review

By  •  6 months ago  •  Featured, Science

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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Shape-Based Model Sheds Light on Simplified Protein Binding
11 months ago

Shape-Based Model Sheds Light on Simplified Protein Binding

By  •  11 months ago  •  Featured, Science

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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Computer Simulations Shed Light on Nanomaterial Structures
1 year ago

Computer Simulations Shed Light on Nanomaterial Structures

By  •  1 year ago  •  Featured, Science

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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Summit Helps Predict Molecular Breakups
2 years ago

Summit Helps Predict Molecular Breakups

By  •  2 years ago  •  Featured, Science

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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Tiny Transistor Leads to Big Win for ETH Zurich, 2019 ACM Gordon Bell Prize Winner
3 years ago

Tiny Transistor Leads to Big Win for ETH Zurich, 2019 ACM Gordon Bell Prize Winner

By  •  3 years ago  •  Featured, Science

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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Search for Lightweight Alloying Solutions Earns Team a Gordon Bell Finalist Nomination
3 years ago

Search for Lightweight Alloying Solutions Earns Team a Gordon Bell Finalist Nomination

By  •  3 years ago  •  Featured, Science

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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Science at Exascale: Molecular Dynamics for Materials
3 years ago

Science at Exascale: Molecular Dynamics for Materials

By  •  3 years 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
3 years ago

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

By  •  3 years ago  •  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
4 years ago

Titan Takes Fluoride from Taps and Toothpaste to Batteries

By  •  4 years ago  •  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
4 years ago

Titan Speeds Inquiry into Engine Alloys That Can Take the Heat

By  •  4 years 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
5 years ago

Putting the Pedal to the Metal in the Hunt for Alloys

By  •  5 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
5 years ago

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

By  •  5 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  •  9 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
9 years ago

Superconductor Simulation Tops 15 Petaflops on Titan

By  •  9 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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