Related papers: Structure prediction for cobalt-rich decagonal AlC…
A general construction principle of inflation rules for decagonal quasiperiodic tilings is proposed. The prototiles are confined to be polygons with unit edges. An inflation rule for a tiling is the combination of an expansion and a…
The (Co,Ni)Al2O4 is an aluminum transition metals oxide which falls into the category of aluminate spinels. The synthesis of nano-crystalline spinels has been investigated extensively due to their potential applications such as a…
The possibility of the $^{14}$C cluster being a basic building block of medium mass nuclei is discussed. Although $\alpha$ cluster structures have been widely discussed in the light $N\approx Z$ mass region, the neutron to proton ratio…
We present a cluster covering scheme to construct the two-dimensional octagonal quasilattice. A quasi-unit cell is successfully found which is a two-color cluster similar to the Gummelt's two-color decagon in five-fold quasilattice. The…
To understand the formation of the Bergman cluster in the F-type icosahedral quasicrystal, crystallographic relations between the quasicrystal and the intermetallic-compound H and Zn$_{23}$Y$_6$ phases in the Zn-Mg-Y alloy system were…
Metal chalcogenide is a promising material for studying novel underlying physical phenomena and nanoelectronics applications. Here, we systematically investigate the crystal structure and electronic properties of the AlSe surface alloy on…
Quaternary phases formed in copper alloys are investigated through a combination of quantum-mechanical and classical computer simulations and active machine learning. Focus is given on nickel, silicon, and chromium impurities in a copper…
The intermetallic compound H (Mn$_7$Si$_2$V) phase in the Mn-Si-V alloy system can be regarded as an approximant phase of the dodecagonal quasicrystal as one of the two-dimensional quasicrystals. To understand the features of the…
We investigate the necessary features of the pair interaction for the stabilization of self-assembled quantum quasicrystals in two-dimensional bosonic systems. Unlike the classical scenario, our results show that two-dimensional octagonal,…
Due to their aperiodic nature, quasicrystals are one of the least understood phases in statistical physics. One significant complication they present in comparison to their periodic counterparts is the fact that any quasicrystal can be…
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…
The discovery of quasicrystals 30 years ago challenged our understanding of order at the atomic scale. While quasicrystals possess long-range orientational order they lack translation periodicity. Structurally complex, yet crystalline…
Icosahedral quasicrystals spontaneously form from the melt in simulations of Al--Cu--Fe alloys. We model the interatomic interactions using oscillating pair potentials tuned to the specific alloy system based on a database of density…
The quasi-unit cell picture describes the atomic structure of quasicrystals in terms of a single, repeating cluster which overlaps neighbors according to specific overlap rules. In this paper, we discuss the precise relationship between a…
Using molecular dynamics simulations, we study computational self-assembly of one-component three-dimensional dodecagonal (12-fold) quasicrystals in systems with two-length-scale potentials. Existing criteria for three-dimensional…
For the study of crystal formation and dynamics we introduce a simple two-dimensional monatomic model system with a parametrized interaction potential. We find in molecular dynamics simulations that a surprising variety of crystals, a…
We study the phase behaviour of a quasi-two dimensional cholesteric liquid crystal shell. We characterise the topological phases arising close to the isotropic-cholesteric transition, and show that they differ in a fundamental way from…
This article comprises three sections. Section 2 starts with a review of ab initio no-core shell model calculations by Monte Carlo Shell Model. Alpha clustering arises for 8,10,12Be and 12C with Daejeon16 and JISP16 interactions, even in…
Classical effective potentials are indispensable for any large-scale atomistic simulations, and the relevance of simulation results crucially depends on the quality of the potentials used. For complex alloys like quasicrystals, however,…
Quasicrystals (QCs) host long-range order without translational symmetry, a regime in which the very foundations of BCS theory are not straightforwardly applicable, yet experiments on QCs and their approximant crystals (ACs) point to…