A recent study from the University of Michigan reveals that quasicrystals, an unusual type of solid material, can be the most stable arrangement for certain combinations of atoms. These findings are based on the first quantum-mechanical simulations of quasicrystals, challenging the belief that they couldn't exist.

Quasicrystals, unlike conventional crystals, have atoms arranged in a lattice pattern that does not repeat. Despite their similarity to disordered solids like glass, the new simulation method suggests that quasicrystals are fundamentally stable materials.

Israeli scientist Daniel Shechtman first described quasicrystals in 1984, defying the laws of physics at the time. The material's icosahedral structure with five-fold symmetry puzzled scientists, leading to intense scrutiny. However, quasicrystals were later found in meteorites, solidifying their existence.

The study's lead author, Woohyeon Baek, explains that understanding the stability of materials is crucial. While crystals are enthalpy-stabilized due to low energy bonds, materials like glass are entropy-stabilized with high entropy. Quasicrystals, on the other hand, are an intriguing mix of both, with locally ordered atomic arrangements but no long-range patterns.

To determine if quasicrystals are enthalpy- or entropy-stabilized, researchers developed a method involving smaller nanoparticles extracted from a larger simulated block of quasicrystal. By calculating the total energy in these nanoparticles, the researchers discovered that well-known quasicrystals are enthalpy-stabilized.

The study's co-author, Vikram Gavini, highlights the significance of their algorithm in speeding up calculations and enabling simulations of various materials and crystal defects. This research, supported by the U.S. Department of Energy, utilized computing resources from several national laboratories.