Related papers: AMORPH: A statistical program for characterizing a…
An emerging theme across many domains of science and engineering is materials that change shape, often dramatically. Determining their structure involves solving a shape optimization problem where a given energy functional is minimized with…
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…
Atomic Force Microscopy (AFM) enables high-resolution surface imaging at the nanoscale, yet the output is often degraded by artifacts introduced by environmental noise, scanning imperfections, and tip-sample interactions. To address this…
We describe a fast and accurate method to perform the convolution of a sky map with a general asymmetric main beam along any given scanning strategy. The method is based on the decomposition of the beam as a sum of circular functions, here…
Diffraction tomography is an inverse scattering technique used to reconstruct the spatial distribution of the material properties of a weakly scattering object. The object is exposed to radiation, typically light or ultrasound, and the…
Crystal structure determination from powder diffraction patterns is a complex challenge in materials science, often requiring extensive expertise and computational resources. This study introduces DiffractGPT, a generative pre-trained…
Many adaptive optics systems operate by measuring the distortion of the wavefront in one wavelength range and performing the scientific observations in a second, different wavelength range. One common technique is to measure wavefront…
Diffraction tomography is a widely used inverse scattering technique for quantitative imaging of weakly scattering media. In its conventional formulation, diffraction tomography assumes monochromatic plane wave illumination. This…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…
In this paper we study the reconstruction of moving object densities from undersampled dynamic X-ray tomography in two dimensions. A particular motivation of this study is to use realistic measurement protocols for practical applications,…
X-ray diffraction with high spatial resolution is a prerequisite for the characterization of (poly)-crystalline materials on micro- or nanoscopic scales. This can be achieved by utilizing a focused X-ray beam and scanning of the sample.…
Multi-spectral computed tomography is an emerging technology for the non-destructive identification of object materials and the study of their physical properties. Applications of this technology can be found in various scientific and…
The synthesis of wafer-scale two-dimensional amorphous carbon monolayers has been recently demonstrated. This material presents useful properties when integrated as coating of metals, semiconductors or magnetic materials, such as enabling…
Diffusion models (DMs) have emerged as powerful generative models for solving inverse problems, offering a good approximation of prior distributions of real-world image data. Typically, diffusion models rely on large-scale clean signals to…
Determining crystal structures from powder X-ray diffraction (PXRD) has been a significant challenge in materials science, particularly when experimental data contain noise or the target structure has a high complexity. While recent AI…
Inverse problems are of great importance in astrophysics for deriving information about the physical characteristics of hot optically thin plasma sources from their EUV and X-ray spectra. We describe and test an iterative method developed…
The tilted-wave interferometer is a promising technique for the development of a reference measurement system for the highly accurate form measurement of aspheres and freeform surfaces. The technique combines interferometric measurements,…
Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…
This paper presents a set of general strategies for the analysis of structure in amorphous materials and a general approach to assessing the utility of a selected structural description. Measures of structural diversity and utility are…
The plasticity of amorphous solids undergoing shear is characterized by quasi-localized rearrangements of particles. While many models of plasticity exist, the precise relationship between plastic dynamics and the structure of a particle's…