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Researchers captured atomic-level insights on the rare-earth mineral monazite to inform future design of flotation collector molecules, illustrated above, that can aid in the recovery of critical materials. Credit: Chad Malone/ORNL, U.S. Dept. of Energy

Critical Materials Institute researchers at Oak Ridge National Laboratory and Arizona State University studied the mineral monazite, an important source of rare-earth elements, to enhance methods of recovering critical materials for energy, defense and manufacturing applications.

Researchers used quantum Monte Carlo calculations to accurately render the structure and electronic properties of germanium selenide, a semiconducting nanomaterial. Credit: Paul Kent/ORNL, U.S. Dept. of Energy

A multi-lab research team led by ORNL's Paul Kent is developing a computer application called QMCPACK to enable precise and reliable predictions of the fundamental properties of materials critical in energy research.

Simulation of short polymer chains

Oak Ridge National Laboratory scientists have discovered a cost-effective way to significantly improve the mechanical performance of common polymer nanocomposite materials.

This simulation of a fusion plasma calculation result shows the interaction of two counter-streaming beams of super-heated gas. Credit: David L. Green/Oak Ridge National Laboratory, U.S. Dept. of Energy

The prospect of simulating a fusion plasma is a step closer to reality thanks to a new computational tool developed by scientists in fusion physics, computer science and mathematics at ORNL.

Small modular reactor computer simulation

In a step toward advancing small modular nuclear reactor designs, scientists at Oak Ridge National Laboratory have run reactor simulations on ORNL supercomputer Summit with greater-than-expected computational efficiency.

Reaching rare earths_v2.png

Scientists from the Critical Materials Institute used the Titan supercomputer and Eos computing cluster at ORNL to analyze designer molecules that could increase the yield of rare earth elements found in bastnaesite, an important mineral 

Materials—Polymer-theory-problem

Scientists at Oak Ridge National Laboratory have conducted a series of breakthrough experimental and computational studies that cast doubt on a 40-year-old theory describing how polymers in plastic materials behave during processing.