Supercomputer Cracks the Code of Shapeshifting Atoms

Deformed Rotating Nucleus — A deformed, rotating nucleus is illuminated in increasing resolution at higher energy stages, from left to right. Credit: Güneş Özcan/ORNL, U.S. Dept. of Energy

Using the Frontier supercomputer, researchers have cracked a major challenge in nuclear physics: accurately predicting nuclear structure and forces at an unprecedented level of detail.

Their discoveries, including new insights into the shape-shifting nature of the 30-neon nucleus, could revolutionize scientific fields ranging from quantum mechanics to national security.

Revolutionizing Nuclear Predictions with Frontier

Researchers at the Department of Energy’s Oak Ridge National Laboratory have developed a groundbreaking technique to predict nuclear properties with unprecedented detail, using the powerful Frontier supercomputer.

Their study reveals how a nucleus’s structure is connected to the fundamental forces that hold it together. This deeper understanding could drive advances in quantum physics and impact fields ranging from energy production to national security.

“Our reliable predictions will bring new insights to the study of nuclear forces and structure,” said Zhonghao Sun of Louisiana State University, formerly of ORNL.

A Computational Breakthrough in Nuclear Modeling

Published in Physical Review X, the team’s findings enhance our understanding of atomic nuclei and the behavior of their subatomic particles. A nucleus can rotate and exist in both a round and a deformed, football-like shape. Capturing these complex features — such as shape variations, rotational energy, and the strong binding forces within the nucleus — has long been a challenge in computational modeling.

“At very low resolution, the nucleus might be viewed as a liquid drop that rotates,” said ORNL’s Gaute Hagen. “As resolution increases, you see more details about the internal structure, and more is learned about how subatomic particles interact to build the nucleus.”

Frontier Supercomputer — An Oak Ridge National Laboratory-led team used the Frontier supercomputer, the world’s first exascale system, to model scientifically interesting atomic nuclei. Credit: Carlos Jones/Oak Ridge National Laboratory, U.S. Dept. of Energy

Harnessing Exascale Computing for Unprecedented Detail

The team reached this improved understanding after modeling a variety of particle behaviors at different energy levels, where behavior changes. The steps to unite all factors into an accurate model was made possible by the computing power of Frontier. Performing at exascale, Frontier is capable of more than a quintillion calculations per second.

Results revealed that a rare nucleus known as 30-neon has both round and deformed shapes that coexist. By performing millions of computations, the team learned how the strong nuclear force, which hold subatomic particles together, drives this deformation. The team developed new models of nuclear properties based on these results, which required the use of Frontier for their creation but can run on laptops to enable broad future studies.

Game-Changing Techniques for Nuclear Science

“The new techniques we introduced are truly game changers, allowing us to accurately compute the structure and behavior of a deformed nucleus,” said Sun. “This lies on the frontier of nuclear science research.”

Reference: “Multiscale Physics of Atomic Nuclei from First Principles” by Z. H. Sun, A. Ekström, C. Forssén, G. Hagen, G. R. Jansen and T. Papenbrock, 10 February 2025, Physical Review X.
DOI: 10.1103/PhysRevX.15.011028