New Quantum Model Unveils Stability of Quasicrystals

In a groundbreaking study, researchers at the University of Michigan have developed the first quantum-mechanical model that elucidates the stability of quasicrystals, a unique class of materials that exhibit characteristics of both crystals and glasses. This research, published in the esteemed journal Nature Physics on June 13, 2025, marks a significant milestone in materials science, enhancing our understanding of atomic arrangements and their implications for material properties.

Quasicrystals were first discovered by Israeli scientist Daniel Shechtman in 1984 while he was examining alloys of aluminum and manganese. His observation of a five-fold symmetry in these materials challenged the established belief that atomic arrangements in solids must repeat in a periodic fashion. Despite initial skepticism from the scientific community, Shechtman’s discovery eventually earned him the Nobel Prize in Chemistry in 2011. However, the fundamental question of how quasicrystals form and remain stable has persisted, largely due to the limitations of traditional quantum-mechanical models, which rely on infinitely repeating patterns.

According to Wenhao Sun, Dow Early Career Assistant Professor of Materials Science and Engineering at the University of Michigan and corresponding author of the study, “We need to know how to arrange atoms into specific structures if we want to design materials with desired properties.” The new research proposes a method that overcomes previous challenges by allowing for the simulation of quasicrystals without requiring periodic patterns.

The study employed a novel approach where researchers extracted smaller nanoparticles from a larger simulated block of quasicrystal, allowing them to calculate the total energy of each nanoparticle. This method, which does not depend on infinite sequences, enables scientists to better understand the stability mechanisms of quasicrystals.

Woohyeon Baek, a doctoral student in materials science and engineering and the study’s first author, explained, “The first step to understanding a material is knowing what makes it stable, but it has been hard to tell how quasicrystals were stabilized.” The research indicates that certain quasicrystals are enthalpy-stabilized, meaning that their atomic arrangements achieve a lower energy state, akin to conventional crystals, despite their lack of long-range order.

Furthermore, the researchers identified two specific quasicrystals, one composed of scandium and zinc and the other of ytterbium and cadmium, as enthalpy-stabilized materials. This finding is pivotal as it challenges the previously held notion that such materials could only exist in a disordered state.

Vikram Gavini, a co-author of the study and Professor of Mechanical Engineering and Materials Science at the University of Michigan, noted the significance of their computational advancements. “In conventional algorithms, every computer processor needs to communicate with one another, but our algorithm is up to 100 times faster because only the neighboring processors communicate, and we effectively use GPU acceleration in supercomputers.” This efficiency allows for more extensive simulations of glass and amorphous materials, which are crucial for various technological applications, including quantum computing.

The study was funded by the U.S. Department of Energy and utilized computing resources from the University of Texas, Lawrence Berkeley National Laboratory, and Oak Ridge National Laboratory. The findings hold implications not just for theoretical physics but also for practical applications in materials engineering and technology development.

In summary, the University of Michigan’s innovative work in simulating quasicrystals presents a pivotal advancement in understanding these complex materials. By clarifying the stability mechanisms of quasicrystals, this research paves the way for the design of new materials with tailored properties, potentially impacting various fields, including nanotechnology and materials science.