Related papers: AMORPH: A statistical program for characterizing a…
We present a new and efficient optimization method to determine the structure of disordered systems in agreement with available experimental data. Our approach permits the application of accurate electronic structure calculations within the…
Many data-driven applications in material science have been made possible because of recent breakthroughs in artificial intelligence(AI). The use of AI in material engineering is becoming more viable as the number of material data such as…
We develop hybrid projection methods for computing solutions to large-scale inverse problems, where the solution represents a sum of different stochastic components. Such scenarios arise in many imaging applications (e.g., anomaly detection…
A growing number of shock compression experiments, especially those involving laser compression, are taking advantage of in situ x-ray diffraction as a tool to interrogate structure and microstructure evolution. Although these experiments…
X-ray diffraction was demonstrated from shock-compressed polycrystalline metal on nanosecond time scales. Laser ablation was used to induce shock waves in polycrystalline foils of Be, 25 to 125 microns thick. A second laser pulse was used…
diffpy$.$morph addresses a need to gain scientific insights from 1D scientific spectra in model independent ways. A powerful approach for this is to take differences between pairs of spectra and look for meaningful changes that might…
Coherent diffraction imaging enables the imaging of individual defects, such as dislocations or stacking faults, in materials.These defects and their surrounding elastic strain fields have a critical influence on the macroscopic properties…
Amorphous materials of homogeneous structures usually suffer from nonuniform deformation under shear, which can develop into shear localization and eventually destructive shear band. One approach to tackle this issue is to introduce an…
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…
Technique of the quantitative description of image broadening effect in AFM allowing to restore real geometrical parameters of object using two-parameters model (height and width at half-height) is developed. Application of the technique…
Coherent X-ray diffraction microscopy is a method of imaging non-periodic isolated objects at resolutions only limited, in principle, by the largest scattering angles recorded. We demonstrate X-ray diffraction imaging with high resolution…
In this article we review classical and recent results in anomalous diffusion and provide mechanisms useful for the study of the fundamentals of certain processes, mainly in condensed matter physics, chemistry and biology. Emphasis will be…
X-ray diffraction (XRD) is an essential technique to determine a material's crystal structure in high-throughput experimentation, and has recently been incorporated in artificially intelligent agents in autonomous scientific discovery…
Matching deformable objects using their shapes is an important problem in computer vision since shape is perhaps the most distinguishable characteristic of an object. The problem is difficult due to many factors such as intra-class…
In this paper, we first propose a novel method for transferring material transformations across different scenes. Building on disentangled Neural Radiance Field (NeRF) representations, our approach learns to map Bidirectional Reflectance…
The microscopic structure of a new infrared-driven amorphous white-light-generating material was explored by X-ray diffraction, EXAFS and Reverse Monte Carlo simulation. In this material, structural disorder appears to be prerequisite for…
The object recognition is a complex problem in the image processing. Mathematical morphology is Shape oriented operations, that simplify image data, preserving their essential shape characteristics and eliminating irrelevancies. This paper…
Microtomography is a powerful method of materials investigation. It enables to obtain physical properties of porous media non-destructively that is useful in studies. One of the application ways is a calculation of porosity, pore sizes,…
In this paper, we review some recent work on amorphous materials using current "first principles" electronic structure/molecular dynamics techniques. The main theme of the paper is to emphasize new directions in the use of such ab initio…
When x-rays penetrate soft matter, their phase changes more rapidly than their amplitude. In- terference effects visible with high brightness sources creates higher contrast, edge enhanced images. When the object is piecewise smooth (made…