相关论文: Total-energy-based prediction of a quasicrystal st…

We report a degenerate quasicrystal in Monte Carlo simulations of hard triangular bipyramids each composed of two regular tetrahedra sharing a single face. The dodecagonal quasicrystal is similar to that recently reported for hard…

We calculate the cohesive energies of Fe-based glass-forming alloys in the B-Fe-Y-Zr quaternary system. Our {\it ab-initio} calculations fully relax atomic positions and lattice parameters yielding enthalpies of mixing at T=0K. We examine…

We present a brief history of quasicrystals and a short introduction to classical lattice-gas models of interacting particles. We discuss stability of non-periodic tilings and one-dimensional sequences of symbols seen as ground states of…

In materials, certain approximated symmetry operations can exist in a lower-order approximation of the effective model but are good enough to influence the physical responses of the system, and these approximated symmetries were recently…

Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not…

Predicting crystal structures from chemical compositions is a fundamental challenge in materials discovery, complicated by complex 3D geometries that distinguish it from fields like protein folding. Here, we present Diffusion-based Crystal…

The quasiparticle effective mass is a key quantity in the physics of electron gases, describing the renormalization of the electron mass due to electron-electron interactions. Two-dimensional electron gases are of fundamental importance in…

We propose a means to realize two-dimensional quasiperiodic structures by trapping atoms in an optical potential. The structures have eight-fold symmetry and are closely related to the well-known quasiperiodic octagonal (Ammann-Beenker)…

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

Anti-plane shear deformations of a hexagonal quasi-crystal with multiple screw dislocations are considered. Using a variational formulation, the elastic equilibrium is characterized via limit of minimizers of a core-regularized energy…

We present data-driven simulations for gold nanostructures, and develop a model that links total energy to geometrical features of the particle, with the ultimate goal of deriving reliable edge energies of gold. Assuming that the total…

Our understanding of physical properties of quasicrystals owes a great deal to studies of tight-binding models constructed on quasiperiodic tilings. Among the large number of possible quasiperiodic structures, two dimensional tilings are of…

After providing a concise overview on quasicrystals and their discovery more than a quarter of a century ago, I consider the unexpected interplay between nanotechnology and quasiperiodic crystals. Of particular relevance are efforts to…

While performing molecular dynamics simulations of a simple monatomic liquid, we observed the crystallization of a material displaying octagonal symmetry in its simulated diffraction pattern. Inspection of the atomic arrangements in the…

Quasicrystals have a higher degree of rotational and point-reflection symmetry than conventional crystals. As a result, quasicrystalline heterostructures fabricated from dielectric materials with micrometer-scale features exhibit…

Designing particles that are able to form icosahedral quasicrystals (IQCs) and that are as simple as possible is not only of fundamental interest but is also important to the potential realization of IQCs in materials other than metallic…

In the window approach to quasicrystals, the atomic position space E_parallel is embedded into a space E^n = E_parallel + E_perp. Windows are attached to points of a lattice Lambda \in E^n. For standard 5fold and icosahedral tiling models,…

The approximants xi, xi' and xi'_n of the quasicrystal Al-Mn-Pd display most interesting plastic properties as for example phason-induced deformation processes (Klein, H., Audier, M., Boudard, M., de Boissieu, M., Beraha, L., and Duneau,…

Freezing of charge-stabilized colloidal suspensions and relative stabilities of crystals and quasicrystals are studied using thermodynamic perturbation theory. Macroion interactions are modelled by effective pair potentials combining…

Every set $\Lambda\subset R$ such that the sum of $\delta$-measures sitting at the points of $\Lambda$ is a Fourier quasicrystal, is the zero set of an exponential polynomial with imaginary frequencies.