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Accurate determination of crystal structures is central to materials science, underpinning the understanding of composition-structure-property relationships and the discovery of new materials. Powder X-ray diffraction is a key technique in…
Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the…
Powder X-ray Diffraction (PXRD) and Pair Distribution Function (PDF) analysis are well-established techniques for investigation of atomic configurations in crystalline materials, and the two are related by a Fourier transformation. In PXRD…
We report on a new x-ray imaging method, which combines the high spatial resolution of coherent diffraction imaging with the ability of dark field microscopy to map grains within thick polycrystalline specimens. An x-ray objective serves to…
Context: Data from ground-based, high-resolution solar telescopes can only be used for science with calibrations and processing, which requires detailed knowledge about the instrumentation. [...] Aims: We aim to provide observers with a…
Wavefront-preserving x-ray diamond crystal optics are essential for numerous applications in x-ray science. Perfect crystals with flat Bragg planes are a prerequisite for wavefront preservation in Bragg diffraction. However, this condition…
With the aim of generalizing histogram statistics to higher dimensional cases, density estimation via discrepancy based sequential partition (DSP) has been proposed to learn an adaptive piecewise constant approximation defined on a binary…
Posterior sampling with the spike-and-slab prior [MB88], a popular multimodal distribution used to model uncertainty in variable selection, is considered the theoretical gold standard method for Bayesian sparse linear regression [CPS09,…
In this work, a higher-order irrotational strain gradient plasticity theory is studied in the small strain regime. A detailed numerical study is based on the problem of simple shear of a non-homogeneous block comprising an elastic-plastic…
The X-ray diffractometer in the laboratory is a crucial instrument for analyzing materials in science. It can be used on almost any crystal material, and if the machine parameters are appropriately controlled, it can offer a lot of…
A major challenge in materials science is the determination of the structure of nanometer sized objects. Here we present a novel approach that uses a generative machine learning model based on diffusion processes that is trained on 45,229…
The ability to measure small deformations or strains is useful for understanding many aspects of materials. Here, a new analysis of speckle diffraction peaks is presented in which the systematic shifts of the speckles are analyzed allowing…
We propose a novel method for measuring the discrepancy between a set of samples and a desired posterior distribution for Bayesian inference. Classical methods for assessing sample quality like the effective sample size are not appropriate…
Measuring the complex permittivity of material is essential in many scenarios such as quality check and component analysis. Generally, measurement methods for characterizing the material are based on the usage of vector network analyzer,…
We propose and study Sparse Polyak, a variant of Polyak's adaptive step size, designed to solve high-dimensional statistical estimation problems where the problem dimension is allowed to grow much faster than the sample size. In such…
Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining inorganic crystal structures from powder X-ray diffraction (PXRD) data is traditionally a…
We investigate the cross-calibration of the Hinode/SOT-SP and SDO/HMI instrument meta-data, specifically the correspondence of the scaling and pointing information. Accurate calibration of these datasets gives the correspondence needed by…
We present a comprehensive review of the emerging crystal structure determination method Parameter Space Concept (PSC), which solves and refines either partial or complete crystal structures by mapping each experimental or theoretical…
Speckle-based phase-contrast X-ray imaging (SB-PCXI) can reconstruct high-resolution images of weakly-attenuating materials that would otherwise be indistinguishable in conventional attenuation-based imaging. The experimental setup of…
Crystal structure prediction (CSP) is now increasingly used in the discovery of novel materials with applications in diverse industries. However, despite decades of developments, the problem is far from being solved. With the progress of…