Related papers: A review on the Parameter Space Concept and its us…

This work proposes an innovative approach to improve Bragg coherent diffraction imaging (BCDI) microscopy applied to time evolving crystals and/or non-homogeneous crystalline strain fields, identified as two major limitations of BCDI…

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Neural implicit surface reconstruction has achieved remarkable progress recently. Despite resorting to complex radiance modeling, state-of-the-art methods still struggle with textureless and specular surfaces. Different from RGB images,…

Two-dimensional (2D) photonic crystals offer strong control over the propagation of light through their bands. Theoretical methods for computing the band structure in 2D are well-established and fast because 2D photonic crystals are…

This paper addresses the problem of photometric stereo, in both calibrated and uncalibrated scenarios, for non-Lambertian surfaces based on deep learning. We first introduce a fully convolutional deep network for calibrated photometric…

Dimension-reduction techniques can greatly improve statistical inference in astronomy. A standard approach is to use Principal Components Analysis (PCA). In this work we apply a recently-developed technique, diffusion maps, to astronomical…

First-principles based crystal structure prediction (CSP) methods have revealed an essential tool for the discovery of new materials. However, in solids close to displacive phase transitions, which are common in ferroelectrics,…

In computational phase imaging with a microscope equipped with an array of light emitting diodes as illumination unit, conventional Fourier ptychographic microscopy achieves high resolution and wide-field reconstructions but is constrained…

We analyse a method to compensate for anisotropy effects in the spatial distribution of parametric down-conversion (PDC) radiation in bulk crystals. In this method, a single nonlinear crystal is replaced by two consecutive crystals with…

Stable or metastable crystal structures of assembled atoms can be predicted by finding the global or local minima of the energy surface within a broad space of atomic configurations. Generally, this requires repeated first-principles energy…

In this paper we propose and analyze an energy stable numerical scheme for the square phase field crystal (SPFC) equation, a gradient flow modeling crystal dynamics at the atomic scale in space but on diffusive scales in time. In…

A Python program for calculating the metrics necessary to perform information-theory based symmetry classifications and quantifications of transmission electron diffraction spot patterns is introduced. It is the first of its kind, in that…

As an unsupervised dimensionality reduction method, principal component analysis (PCA) has been widely considered as an efficient and effective preprocessing step for hyperspectral image (HSI) processing and analysis tasks. It takes each…

The reflecting features (reflected spectrum and phase) on the surface of pure-material plate depend on refractive index, extinction coefficient, incident angle, polarization direction and so on. The features, however, do not depend on a cut…

Particle size and shape are the key 3D particle geometry parameters that govern the complex behavior of granular materials. The effect of particle size and shape has often been examined in isolation, typically through separate analyses of…

Periodic point sets model all solid crystalline materials (crystals) whose atoms can be considered zero-sized points with or without atomic types. This paper addresses the fundamental problem of checking whether claimed crystals are novel,…

Crystals are the materials which can be described by uniform periodic lattices. Traditionally, only the 1-, 2-, 3-, 4- and 6-fold rotation symmetries are allowed in crystals because other n-fold rotation symmetries are forbidden by the…

Cryo-electron microscopy (cryo-EM) has emerged as a powerful technique for determining the three-dimensional structures of biological molecules at near-atomic resolution. However, reconstructing helical assemblies presents unique challenges…

The recently introduced Spatial Spectral Compressive Spectral Imager (SSCSI) has been proposed as an alternative to carry out spatial and spectral coding using a binary on-off coded aperture. In SSCSI, the pixel pitch size of the coded…

Machine learning has the potential to accelerate materials discovery by accurately predicting materials properties at a low computational cost. However, the model inputs remain a key stumbling block. Current methods typically use…