Related papers: XERUS: An open-source tool for quick XRD phase ide…
To obtain the best possible scientific result, astronomers must understand the properties of the available instrumentation well. This is important both when designing new instruments and when using existing instruments close to the limits…
Single-shot X-ray imaging of short-lived nanostructures such as clusters and nanoparticles near a phase transition or non-crystalizing objects such as large proteins and viruses is currently the most elegant method for characterizing their…
A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…
Transparent objects are a very challenging problem in computer vision. They are hard to segment or classify due to their lack of precise boundaries, and there is limited data available for training deep neural networks. As such, current…
The analysis of defects and defect dynamics in crystalline materials is important for fundamental science and for a wide range of applied engineering. With increasing system size the analysis of molecular-dynamics simulation data becomes…
We present the Collection of Elemental Routines for Echelle Spectra (CERES). These routines were developed for the construction of automated pipelines for the reduction, extraction and analysis of spectra acquired with different…
Determination of the symmetry profile of structures is a persistent challenge in materials science. Results often vary amongst standard packages, hindering autonomous materials development by requiring continuous user attention and educated…
Development of new functional ceramics is important for several applications, including electrochemical batteries and fuel cells. Computational prescreening and selection of such materials can help discover novel materials but is…
Resolving morphological chemical phase transformations at the nanoscale is of vital importance to many scientific and industrial applications across various disciplines. The TXM-XANES imaging technique, by combining full field transmission…
The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…
XEUS has been recently selected by ESA for an assessment study. XEUS is a large mission candidate for the Cosmic Vision program, aiming for a launch date as early as 2018. XEUS is a follow-on to ESA's Cornerstone X-Ray Spectroscopy Mission…
Coherent Diffractive Imaging is a lensless technique that allows imaging of matter at a spatial resolution not limited by lens aberrations. This technique exploits the measured diffraction pattern of a coherent beam scattered by periodic…
Automatic crystal orientation determination and orientation mapping are important tools for research on polycrystalline materials. The most common methods of automatic orientation determination rely on detecting and indexing individual…
Diffusion-based models have shown great promise in real-world image super-resolution (Real-ISR), but often generate content with structural errors and spurious texture details due to the empirical priors and illusions of these models. To…
Crystallisation is an important phenomenon which facilitates the purification as well as structural and bulk phase material characterisation using crystallographic methods. However, different conditions can lead to a vast set of different…
We introduce an open source python framework named PHS - Parallel Hyperparameter Search to enable hyperparameter optimization on numerous compute instances of any arbitrary python function. This is achieved with minimal modifications inside…
An algorithm is developed for structure identification of amorphous carbonaceous nanomaterials with a joint x-ray and neutron diffraction data analysis, using the data on the chemical composition of the sample from other diagnostics. The…
Since its launch, TESS has provided high cadence observations for objects across the sky. Although high cadence TESS observations provide a unique possibility to study the rapid time evolution of numerous objects, artifacts in the data make…
The ability to understand the atomistic mechanisms that occur in the solid phase transition is of crucial importance in materials research. To investigate the displacive phase transition at the atomic scale, we have implemented a numerical…
Due to their ability to recognize complex patterns, neural networks can drive a paradigm shift in the analysis of materials science data. Here, we introduce ARISE, a crystal-structure identification method based on Bayesian deep learning.…