They defied the rules of physics, baffled scientists for decades, and won a Nobel Prize—now, quantum mechanics reveals why quasicrystals exist at all.
Key Points at a Glance
- Quasicrystals are stable structures despite lacking repeating atomic patterns
- University of Michigan developed the first quantum-mechanical model explaining their formation
- The study proves quasicrystals can be enthalpy-stabilized, not just entropy-driven
- New simulation methods unlock insights into glassy materials, crystal defects, and more
In a groundbreaking advance, researchers from the University of Michigan have solved one of the most perplexing mysteries in material science: why quasicrystals, a bizarre form of matter once thought impossible, are actually stable. Using the first-ever quantum-mechanical simulations of quasicrystals, they’ve demonstrated that these exotic structures aren’t just flukes of nature—they can represent the most energetically favorable arrangement of atoms.
Quasicrystals were first thrust into the scientific spotlight in 1984 when Israeli scientist Daniel Shechtman discovered a metal alloy with a stunning, never-before-seen atomic arrangement. It had five-fold symmetry, something thought to be forbidden in crystalline structures. Though he initially faced ridicule, Shechtman’s findings were confirmed and eventually earned him the Nobel Prize in Chemistry. Yet for all the accolades, one question lingered for decades: why do quasicrystals form at all?
The answer lies deep in quantum mechanics. Conventional models of crystal stability—based on density functional theory—require repeating atomic patterns, something quasicrystals famously lack. That limitation made them nearly impossible to analyze through traditional means. Now, by developing a novel simulation method that extracts and analyzes nanoparticles from a quasicrystal block, the Michigan team has cracked the code.
The researchers calculated the energy of quasicrystal nanoparticles of various sizes, extrapolating the total internal energy of a large quasicrystal. They discovered that two well-known quasicrystals—one made of scandium and zinc, the other of ytterbium and cadmium—are enthalpy-stabilized. This means they form not because of random disorder like glass, but because their structure represents a low-energy, highly stable state.
Quasicrystals have long been considered a strange halfway point between crystals and glass. Their atoms are locally ordered, like those in crystals, but lack the infinite periodicity scientists once believed was essential for stability. This research reshapes that understanding entirely.
Beyond just answering a decades-old question, the team’s work has unlocked a new computational approach. By cleverly streamlining communication between computing processors and using GPU acceleration, their algorithm is up to 100 times faster than previous methods. It allows scientists to explore other complex materials like amorphous solids, interfaces between different crystal structures, and even defects that could power future quantum computers.
“We need to know how to arrange atoms into specific structures if we want to design materials with desired properties,” says lead author Wenhao Sun. With this new method, researchers are closer than ever to mastering the atomic architecture of the universe’s most enigmatic materials.
Source: University of Michigan News
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