Related papers: On the detection and classification of material de…
Numerical simulation of nonlinear elastic wave propagation in solids with cracks is indispensable for decoding the complicated mechanisms associated with the nonlinear ultrasonic techniques in Non-Destructive Testing (NDT). Here, we…
In high-energy heavy-ion collisions, structures in the initial collision zone are a matter of intense investigation, both from theory and experimental points of view. A large number of models have been developed to represent the initial…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
When waves propagate through a complex medium, they undergo several scattering events. This phenomenon is detrimental to imaging, as it causes full blurring of the image. Here we describe a method for detecting, localizing and…
Atomic vibrations control all thermally activated processes in materials including diffusion, heat transport, phase transformations, and surface chemistry. Recent developments in monochromated, aberration-corrected scanning transmission…
The formation and subsequent growth of structural defects in an irradiated material can strongly influence the material's performance in technological and industrial applications. Predicting how the growth of defects affects material…
Principal component analysis (PCA) aims at estimating the direction of maximal variability of a high-dimensional dataset. A natural question is: does this task become easier, and estimation more accurate, when we exploit additional…
We propose and analyze experiments to test distinguishability and determinism in atoms. As a first step, we consider experiments to test if atoms are distinguishable from each other due to small differences in the nuclear magnetic moment.…
Methods for correcting residual energy errors of configuration interaction (CI) calculations of molecules and other electronic systems are discussed based on the assumption that the energy defect can be mapped onto atomic regions. The…
The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the x-ray damage effects observed in x-ray scattering measurements of biological and chemical materials, as well…
Accurate structural analysis is essential to gain physical knowledge and understanding of atomic-scale processes in materials from atomistic simulations. However, traditional analysis methods often reach their limits when applied to…
Photon-counting computed tomography (PCCT) with energy discrimination capabilities hold great potentials to improve the limitations of the conventional CT, including better signal-to-noise ratio (SNR), improved contrast-to-noise ratio…
Acceleration processes that occur in astrophysical plasmas produce cosmic rays that are observed on Earth. To study particle acceleration, fully-kinetic particle-in-cell (PIC) simulations are often used as they can unveil the microphysics…
An efficient approach for the simulation of ion scattering from solids is proposed. For every encountered atom, we take multiple samples of its thermal displacements among those which result in scattering with high probability to finally…
Rutherford backscattering and particle induced x-ray emission have been utilized to precisely characterize targets used in nuclear fission experiments. The method allows for a fast and non destructive determination of target thickness,…
Charge-coupled devices (CCDs) are a leading technology in direct dark matter searches because of their eV-scale energy threshold and high spatial resolution. The sensitivity of future CCD experiments could be enhanced by distinguishing…
A conception of inhomogeneous locally random distribution of microdefects in crystalline solids is proposed. A method to calculate some physical properties of solids, containing inhomogeneously distributed defects, is developed. A…
Detection of surface defects is one of the most important issues in the field of image processing and machine vision. In this article, a method for detecting surface defects based on energy changes in co-occurrence matrices is presented.…
A suite of synthetic nuclear diagnostics has been developed to post-process radiation hydrodynamics simulations performed with the code Chimera. These provide experimental observables based on simulated capsule properties and are used to…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…