Putting hydrogen on solid ground: simulations with a machine learning model predict a new phase of solid hydrogen. A machine-learning technique developed by University of Illinois Urbana-Champaign researchers has revealed a previously undiscovered high-pressure solid hydrogen phase, offering insi
Phases of solid hydrogen. The left is the well-studied hexagonal close packed phase, while the right is the new phase predicted by the authors’ machine learning-informed simulations. Image by Wesley Moore. Credit: The Grainger College of Engineering at the University of Illinois Urbana-Champaignmodel predict a new phase of solid hydrogen.
“Machine learning turned out to teach us a great deal,” Ceperley said. “We had been seeing signs of new behavior in our previous simulations, but we didn’t trust them because we could only accommodate small numbers of atoms. With our machine learning model, we could take full advantage of the most accurate methods and see what’s really going on.”
The three of them were surveying different temperatures and pressures to form a complete picture when they noticed something unusual in the solid phase. While the molecules in solid hydrogen are normally close-to-spherical and form a configuration called hexagonal close packed—Ceperley compared it to stacked oranges—the researchers observed a phase where the molecules become oblong figures—Ceperley described them as egg-like.
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