Related papers: Structure determinations for random-tiling quasicr…
Quasicrystals are metal alloys whose noncrystallographic symmetry and lack of structural periodicity challenge methods of experimental structure determination. Here we employ quantum-based total-energy calculations to predict the structure…
Expanding the library of self-assembled superstructures provides insight into the behavior of atomic crystals and supports the development of materials with mesoscale order. Here we build upon recent findings of soft matter quasicrystals…
Reliable and robust methods of predicting the crystal structure of a compound, based only on its chemical composition, is crucial to the study of materials and their applications. Despite considerable ongoing research efforts, crystal…
Mathematicians have been interested in non-periodic tilings of space for decades; however, it was the unexpected discovery of non-periodically ordered structures in intermetallic alloys which brought this subject into the limelight. These…
Quasicrystals are fascinating structures, characterized by strong positional order but lacking the periodicity of a crystal. In colloidal systems, quasicrystals are typically predicted for particles with complex or highly specific…
We devise an ideal 3-dimensional octagonal quasicrystal that is based upon the 2-dimensional Ammann-Beenker tiling and that is potentially suitable for realization with patchy particles. Based on an analysis of its local environments we…
A structure model of atoms of two sizes, interacting with Lennard-Jones potentials and simulated by molecular dynamics, was observed to freeze into a decagonal quasicrystal dominated by Frank-Kasper coordination shells and closely related…
Self-assembly is the process in which the components of a system, whether molecules, polymers, or macroscopic particles, are organized into ordered structures as a result of local interactions between the components themselves, without…
Quasi-crystals are aperiodic structures that present crystallographic properties which are not compatible with that of a single unit cell. Their revolutionary discovery in a metallic alloy, less than three decades ago, has required a full…
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…
This chapter begins with pure aluminium and a discussion of the form of the crystal structure and different unit cells that can be used to describe the crystal structure. Measurements of the face-centred cubic lattice parameter and thermal…
A numerical study is made of the spectra of a tight-binding hamiltonian on square approximants of the quasiperiodic octagonal tiling. Tilings may be pure or random, with different degrees of phason disorder considered. The level statistics…
Quasicrystals are characterized by quasi-periodic arrangements of atoms. The description of their mechanics involves deformation and a (so called phason) vector field accounting at macroscopic scale of local phase changes, due to atomic…
We investigate the use of quasicrystals in image sampling. Quasicrystals produce space-filling, non-periodic point sets that are uniformly discrete and relatively dense, thereby ensuring the sample sites are evenly spread out throughout the…
A systematic, decoration-based technique to discover the atomic structure of a decagonal quasicrystal, given pair potentials and experimentally measured lattice constants, is applied to the ``basic'' cobalt-rich decagonal Al-Co-Ni…
In a recent Letter we proposed a means to realize a quasicrystal with eight-fold symmetry by trapping particles in an optical potential created by four lasers. The quasicrystals obtained in this way, which are closely related to the…
A challenge of molecular self-assembly is to understand how to design particles that self-assemble into a desired structure and not any of a potentially large number of undesired structures. Here we use simulation to show that a strategy of…
We consider nonconforming methods for symmetric elliptic problems and characterize their quasi-optimality in terms of suitable notions of stability and consistency. The quasi-optimality constant is determined and the possible impact of…
It is shown that the covering approach with a single decagonal prototile can be transformed into a hexagon, boat and star tiling. Particularly, the atomic decoration recently proposed by Cockayne and Widom (Phys. Rev. Lett. 81, 598 (1998))…
Successful scientific applications of large-scale molecular dynamics often rely on automated methods for identifying the local crystalline structure of condensed phases. Many existing methods for structural identification, such as Common…