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Compound resonances in nucleon-nucleus scattering are related to the discrete spectrum of the target. Such resonances can be studied in a unified and general framework by a scattering model that uses sturmian expansions of postulated…

Nuclear Theory · Physics 2015-06-26 K. Amos , L. Canton , G. Pisent , J. P. Svenne , D. van der Knijff

Trained neural networks (NN) are attractive as surrogate models to replace costly calculations in physical simulations, but are often unknowingly applied to states not adequately represented in the training dataset. We present the novel…

Machine Learning · Computer Science 2024-12-05 Casey Lauer , Robert C. Blake , Jonathan B. Freund

Previously derived Lane consistent dispersive coupled-channel optical model for nucleon scattering on $^{232}$Th and $^{238}$U nuclei is extended to describe scattering on even-even actinides with $Z=$90--98. A soft-rotator-model (SRM)…

Nuclear Theory · Physics 2017-10-11 D. S. Martyanov , E. Sh. Soukhovitskii , R. Capote , J. M. Quesada , S. Chiba

Small-scale features of shallow water flow obtained from direct numerical simulation (DNS) with two different computational codes for the shallow water equations are gathered offline and subsequently employed with the aim of constructing a…

Fluid Dynamics · Physics 2022-02-24 Sagy Ephrati , Erwin Luesink , Golo Wimmer , Paolo Cifani , Bernard Geurts

Molecular dynamics (MD) simulations enable the study of the motion of small and large (bio)molecules and the estimation of their conformational ensembles. The description of the environment (solvent) has thereby a large impact. Implicit…

Chemical Physics · Physics 2023-05-25 Paul Katzberger , Sereina Riniker

Several stochastic simulation algorithms (SSAs) have been recently proposed for modelling reaction-diffusion processes in cellular and molecular biology. In this paper, two commonly used SSAs are studied. The first SSA is an on-lattice…

Biological Physics · Physics 2015-05-13 Radek Erban , S Jonathan Chapman

The pixel-wise dense prediction tasks based on weakly supervisions currently use Class Attention Maps (CAM) to generate pseudo masks as ground-truth. However, the existing methods typically depend on the painstaking training modules, which…

Computer Vision and Pattern Recognition · Computer Science 2021-11-08 Yanpeng Sun , Zechao Li

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…

Materials Science · Physics 2011-05-18 V. A. Khodyrev , R. Andrzejewski , A. Rivera , D. O. Boerma , J. E. Prieto

There is more and more evidence that machine learning can be successfully applied in materials science and related fields. However, datasets in these fields are often quite small ($\ll1000$ samples). It makes the most advanced machine…

Computational Physics · Physics 2022-02-25 Guillaume Lambard , Ekaterina Gracheva

We introduce COLOSS, a program designed to address the scattering problem using a bound-state technique known as complex scaling. In this method, the oscillatory boundary conditions of the wave function are transformed into exponentially…

Computational Physics · Physics 2024-07-24 Junzhe Liu , Jin Lei , Zhongzhou Ren

The intermediate scattering function S(q,t) for neutron scattering is expanded with respect to a complete set of correlation functions which describe the dynamical correlations in a molecular liquid. For the static ns-structure factor S(q)…

Soft Condensed Matter · Physics 2007-05-23 Christoph Theis , Rolf Schilling

Salts are an integral part of the environment for living systems and, therefore, understanding their effects on proteins and other biomolecules is of fundamental interest. Small-angle X-ray scattering (SAXS) of protein solutions can provide…

Biomolecules · Quantitative Biology 2026-05-01 Anshika Dhiman , Sanbo Qin , Huan-Xiang Zhou

Ultrasound irradiation is a commonly used technique for non-destructive diagnostics or targeted destruction. We report on a new versatile sonication device that fits in a variety of standard sample environments for neutron and X-ray…

Soft Condensed Matter · Physics 2018-01-26 Sudipta Gupta , Markus Bleuel , Gerald J. Schneider

SAXSFit is a computer analysis program that has been developed to assist in the fitting of small-angle x-ray and neutron scattering spectra primarily from nanoparticles (nanopores). The fitting procedure yields the pore or particle size…

Data Analysis, Statistics and Probability · Physics 2009-02-02 Bridget Ingham , Haiyong Li , Emily L. Allen , Michael F. Toney

Measurements of a well-characterised standard sample can verify the performance of an instrument. Typically, small-angle neutron scattering instruments are used to investigate a wide range of samples and may often be used in a number of…

X-ray absorption near edge structure (XANES) is an essential tool for elucidating the atomic-scale, local three-dimensional (3D) structure of given materials and molecules. The rapid computation of XANES based on molecular 3D structures…

Chemical Physics · Physics 2026-02-24 Fei Zhan , Zhi Geng

The real-space multiple-scattering (RSMS) approach is applied to model non-resonant inelastic scattering from deep core electron levels over a broad energy spectrum. This approach is applicable to aperiodic or periodic systems alike and…

Other Condensed Matter · Physics 2009-11-11 J. A. Soininen , A. L. Ankudinov , J. J. Rehr

In this paper, we construct a three-phase model (that is, a system consisting of three homogeneous regions with various scattering length densities), which illustrate the behavior of small-angle scattering (SAS) scattering curves. Here two…

Statistical Mechanics · Physics 2015-06-18 Eugen M. Anitas , Alexander Yu. Cherny , Vladimir A. Osipov , Alexander I. Kuklin

Resonant (elastic) soft x-ray scattering (RSXS) offers a unique element, site, and valence specific probe to study spatial modulations of charge, spin, and orbital degrees of freedom in solids on the nanoscopic length scale. It cannot only…

Materials Science · Physics 2013-04-12 J. Fink , E. Schierle , E. Weschke , J. Geck

Remembering where object segments were predicted in the past is useful for improving the accuracy and consistency of class-agnostic video segmentation algorithms. Existing video segmentation algorithms typically use either no object-level…