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Machine learning can reveal new insights into X-ray spectroscopy of liquids when the local atomistic environment is presented to the model in a suitable way. Many unique structural descriptor families have been developed for this purpose.…

Chemical Physics · Physics 2024-08-26 E. A. Eronen , A. Vladyka , Ch. J. Sahle , J. Niskanen

Progress in high-resolution x-ray microtomography has provided us with a practical approach to determining three-dimensional (3D) structures of opaque samples at micrometer to submicrometer resolution. In this review, we give an…

Biological Physics · Physics 2016-09-09 Ryuta Mizutani , Yoshio Suzuki

We present an integral density method for calculating the multifractal dimension spectrum for the nucleon distribution in atomic nuclei. This method is then applied to analyze the non-uniformity of the density distribution in several…

Nuclear Theory · Physics 2024-04-12 Weihu Ma , Yu-Gang Ma , Wanbing He , Bo Zhou

We propose a method for realizing true, real-space imaging of charge dynamics in a periodic system, with angstrom spatial resolution and attosecond time resolution. In this method, inelastic x-ray scattering (IXS) is carried out with a…

Strongly Correlated Electrons · Physics 2015-06-05 Yu Gan , Anshul Kogar , Peter Abbamonte

The intricate network of interactions observed in RNA three-dimensional structures is often described in terms of a multitude of geometrical properties, including helical parameters, base pairing/stacking, hydrogen bonding and backbone…

Biomolecules · Quantitative Biology 2015-09-01 Sandro Bottaro , Francesco Di Palma , Giovanni Bussi

We consider deep inelastic scattering (DIS) on a nucleus described using a density expansion. In leading order, the scattering is dominated by the incoherent scattering on individual nucleons distributed using the Thomas-Fermi…

High Energy Physics - Phenomenology · Physics 2019-08-28 Kiminad A. Mamo , Ismail Zahed

X-ray absorption spectroscopy (XAS) is an explicit probe of the unoccupied electronic structure of materials and an invaluable tool for fingerprinting various electronic properties and phenomena. Computational methods capable of simulating…

Materials Science · Physics 2023-02-07 Subhayan Roychoudhury , David Prendergast

Using a model Hamiltonian, we discuss how we could interpret data obtained from transition metal $K$-edge resonant inelastic x-ray scattering (RIXS) experiments. By analyzing the creation of valence excitations from the screening of the…

Materials Science · Physics 2008-08-08 K. H. Ahn , A. J. Fedro , Michel van Veenendaal

Scattering experiments have revolutionized our understanding of nature. Examples include the discovery of the nucleus, crystallography, and the discovery of the double helix structure of DNA. Scattering techniques differ by the type of the…

We present here an overview of Coherent X-ray Diffraction Imaging (CXDI) with its application to nanostructures. This imaging approach has become especially important recently due to advent of X-ray Free-Electron Lasers (XFEL) and its…

Mesoscale and Nanoscale Physics · Physics 2013-04-22 Ivan A. Vartanyants , Oleksandr M. Yefanov

Scatterometry is a tested method for measuring periodic semiconductor structures. Since the sizes of modern semiconductor structures have reached the nanoscale regime, the challenge is to determine the shape of periodic nanostructures with…

X-ray free-electron lasers (XFELs) produce X-ray pulses with high brilliance and short pulse duration. These properties enable structural investigations of biomolecular nanocrystals, and they allow resolving the dynamics of biomolecules…

Chemical Physics · Physics 2022-08-05 Leonie Chatzimagas , Jochen S. Hub

Pressure induced structural modifications in vitreous Ge$_{x}$Se$_{100-x}$ (where 10 $\leq$ x $\leq$ 25)are investigated using X-ray absorption spectroscopy (XAS) along with supplementary X-ray diffraction (XRD) experiments and ab initio…

Functionalization and volatilization are competing reactions during the oxidation of carbonaceous materials and are important processes in many different areas of science and technology. Here we present a combined ambient pressure X-ray…

X-ray absorption spectroscopy is a premier element-specific technique for materials characterization. Specifically, the x-ray absorption near-edge structure (XANES) encodes important information about the local chemical environment of an…

Materials Science · Physics 2019-03-27 Matthew R. Carbone , Shinjae Yoo , Mehmet Topsakal , Deyu Lu

The stability and mechanism underlying the formation of deposits of casein micelles during ultrafiltration process were investigated by small-angle (SAXS) and ultra small-angle X-ray scattering(USAXS) which allowed us to probe the structure…

Transition metal oxides (TMOs) exhibit a broad spectrum of electronic, magnetic, and optical properties, making them intriguing materials for various technological applications. Soft x-ray absorption spectroscopy (XAS) is widely used to…

X-ray absorption spectroscopy (XAS) is an element-specific materials characterization technique that is sensitive to structural and electronic properties. First-principles simulated XAS has been widely used as a powerful tool to interpret…

Genome editing allows scientists to change an organism's DNA. One promising genome editing protocol, already validated in living organisms, is based on clustered regularly interspaced short palindromic repeats (CRISPR)/Cas protein-nucleic…

Biological Physics · Physics 2019-07-25 Angana Ray , Rosa Di Felice

We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear…

Chemical Physics · Physics 2021-06-09 Phay J. Ho , Adam E. A. Fouda , Kai Li , Gilles Doumy , Linda Young