Related papers: Structure determinations for random-tiling quasicr…
The athermal quasistatic deformation method provides an elegant solution to overcome the limitation of short time spans in molecular simulations. It provides overdamped conditions, allowing for the extraction of purely structural responses…
The phase structure of QCD remains an open fundamental problem of standard model physics. In particular at finite density, our knowledge is limited. Yet, numerous model studies point towards a rich and complex phase diagram at large…
Moir\'e patterns of twisted and scaled bilayers have recently emerged as a fertile source of quasiperiodic order in two-dimensional materials. Inspired by these systems, we introduce the \emph{near-coincidence method} for generating…
Dewetting of a binary alloy thin film is studied using a continuum many-parameter model that accounts for the surface and bulk diffusion, the bulk phase separation, the surface segregation and the particles formation. Analytical solution is…
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…
We study the three-dimensional structure formation when atoms are deposited onto a substrate with a decagonal quasicrystalline order. Molecular-dynamicscalculations show that the adsorbate layer consists of ordered nano-scale domains with…
Obtaining general relations between macroscopic properties of random assemblies, such as density, and the microscopic properties of their constituent particles, such as shape, is a foundational challenge in the study of amorphous materials.…
Some of the most remarkable tilings and discrete quasiperiodic sets used in quasicrystal physics can be obtained by using strip projection method in a superspace of dimension four, five or six, and the projection of a unit hypercube as a…
The mesh flexibility offered by the virtual element method through the permission of arbitrary element geometries, and the seamless incorporation of `hanging' nodes, has made the method increasingly attractive in the context of adaptive…
Determining the atomic-level structure of crystalline solids is critically important across a wide array of scientific disciplines. The challenges associated with obtaining samples suitable for single-crystal diffraction, coupled with the…
The shelling of crystals is concerned with counting the number of atoms on spherical shells of a given radius and a fixed centre. Its straight-forward generalization to quasicrystals, the so-called central shelling, leads to non-universal…
Aberration-corrected scanning electron microscopy (AC-STEM) can provide valuable information on the atomic structure of nanoclusters, an essential input for gaining an understanding of their physical and chemical properties. A systematic…
Growth and structures of crystals in the model of Al obtained in results of isothermal annealing after quick cooling to certain temperatures are studied by the method of molecular dynamics applying the known potential of EAM type. The…
The quantum phase diagram for a finite $3$-level system in the $\Lambda$ configuration, interacting with a two-mode electromagnetic field in a cavity, is determined by means of information measures such as fidelity, fidelity susceptibility…
Mixed atomistic and continuum methods offer the possibility of carrying out simulations of material properties at both larger length scales and longer times than direct atomistic calculations. The quasi-continuum method links atomistic and…
Standard tomographic analyses ignore model uncertainty. It is assumed that a given model generated the data and the task is to estimate the quantum state, or a subset of parameters within that model. Here we apply a model averaging…
Crystalline phase structure is essential for understanding the performance and properties of a material. Therefore, this study identified and quantified the crystalline phase structure of a sample based on the diffraction pattern observed…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
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 prediction of energetically stable crystal structures formed by a given chemical composition is a central problem in solid-state physics. In principle, the crystalline state of assembled atoms can be determined by optimizing the energy…