Related papers: A review on the Parameter Space Concept and its us…
We suggest new modification (we call it a noise reduction procedure) for Steinhardt parameters which are often used for detecting crystalline structures in computer simulation of solids and soft matter systems. We have also developed a new…
In this paper the systematic method of dealing with the arbitrary decorations of quasicrystals is presented. The method is founded on the average unit cell formalism and operates in the physical space only, where each decorating atom…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…
We present an fully AI-driven design framework for photonic crystals (PhCs), engineered to achieve high efficiency in photonic crystal surface-emitting lasers (PCSELs). By discretizing the PhC structure into a grid, where the edges of the…
Detecting structures at the particle scale within plastically deformed crystalline materials allows a better understanding of the occurring phenomena. While previous approaches mostly relied on applying hand-chosen criteria on different…
A method is presented for modelling the optical properties of a photonic crystal structure mounted on a substrate which is thick enough that the light reflected from the back is incoherent with reflections from the front. Transmission and…
Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…
We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…
Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…
Predicting accurate normal maps of objects from two-dimensional images in regions of complex structure and spatial material variations is challenging using photometric stereo methods due to the influence of surface reflection properties…
With the flourishing development of nanophotonics, Cherenkov radiation pattern can be designed to achieve superior performance in particle detection by fine-tuning the properties of metamaterials such as photonic crystals (PCs) surrounding…
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 ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…
The emergence of optical interferometers with three and more telescopes allows image reconstruction of astronomical objects at the milliarcsecond scale. However, some objects contain components with very different spectral energy…
The displacement field in highly non uniformly strained crystals is obtained by addition of constraints to an iterative phase retrieval algorithm. These constraints include direct space density uniformity and also constraints to the sign…
We introduce a computational method to optimize target physical properties in the full configuration space regarding atomic composition, chemical stoichiometry, and crystal structure. The approach combines the universal potential of the…
This article presents an automated method to quantify and detect symmetry elements in 2D patterns by means of image processing. Escher's woodcuts, a widely recognized didactic tool for crystallographic education of students, were used to…
Intrinsic isometric shape matching has become the standard approach for pose invariant correspondence estimation among deformable shapes. Most existing approaches assume global consistency, i.e., the metric structure of the whole manifold…
A detailed analysis is presented of the modes of a class of spatiotemporal photonic crystal. The structure analyzed is a perfect dielectric with periodic variation of {\epsilon} in a single spatial direction, as well as periodic variation…
We propose a method derived from the simple plane wave expansion that can easily solve the interface problem between vacuum and a semi-infinite photonic crystal. The method is designed to find the complete set of all the eigenfunctions,…