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ESCAPE is a free python package and framework for creating applications for simulating and fitting of X-ray and neutron scattering data with current support for specular reflectivity, polarized neutron reflectometry, high resolution X-ray…
An open source software package for simulating thermal neutron propagation in geometry is presented. In this system, neutron propagation can be treated by either the particle transport method or the ray-tracing method. Supported by an…
An open source software package for modelling thermal neutron transport is presented. The code facilitates Monte Carlo-based transport simulations and focuses in the initial release on interactions in both mosaic single crystals as well as…
Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be…
A tagged medium-energy neutron beam has been used in a precise measurement of the absolute differential cross section for np back-scattering. The results resolve significant discrepancies within the np database concerning the angular…
This paper presents a calculation of the neutron cross-sections in solid materials (used in practical neutron sources) with a large coherent scattering contribution. In particular, the dynamic structure function S(Q, $\omega$) of…
This article introduces software called Phonon Explorer that implements a data mining workflow for large datasets of the neutron scattering function, S(Q, {\omega}), measured on time-of-flight neutron spectrometers. This systematic approach…
MCViNE (Monte-Carlo VIrtual Neutron Experiment) is a versatile Monte Carlo (MC) neutron ray-tracing program that provides researchers with tools for performing computer modeling and simulations that mirror real neutron scattering…
The NCrystal library provides a range of models for simulation of both elastic and inelastic scattering of thermal neutrons in a range of material structures. This article presents the available models for elastic scattering, and includes…
Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…
Nanoscale structure determination belongs to one of the crucial tasks in materials science. Small-angle neutron scattering (SANS) is a highly valuable tool to investigate nanostructures. Here, we explore the possibility of a compact SANS…
Due to their large coherent scattering cross section, diamond nanoparticles (DNPs) are considered as a promising candidate material for a new neutron reflector. For investigation of scattering cross sections of packed samples, we have…
We describe a double-scattering experiment with a novel tagged neutron beam to measure differential cross sections for np back-scattering to better than 2% absolute precision. The measurement focuses on angles and energies where the cross…
`scores` is a Python package containing mathematical functions for the verification, evaluation and optimisation of forecasts, predictions or models. It supports labelled n-dimensional (multidimensional) data, which is used in many…
We present the Neutron Scattered Spectra Tool (NeSST), an open-source Python package for rapidly constructing primary and singly scattered neutron spectra from inertial confinement fusion (ICF) implosions. NeSST evaluates primary spectra…
Small-angle X-ray and neutron scattering experiments are used in many fields of the life sciences and condensed matter research to obtain answers to questions about the shape and size of nano-sized structures, typically in the range of 1 to…
Presented here is decryst, a software suite for structure determination from powder diffraction, which uses the direct space method, and is able to apply anti-bump constraints automatically and efficiently during the procedure of global…
Scattering amplitudes computed at a fixed loop order, along with any other object computed in perturbative quantum field theory, can be expressed as a linear combination of a finite basis of loop integrals. To compute loop amplitudes in…
$clustertools$ is a Python package for analyzing star cluster simulations. The package is built around the $StarCluster$ class, which stores all data read in from the snapshot of a given model star cluster. The package contains functions…
Neutron scattering is a powerful probe of strongly correlated systems. It can directly detect common phenomena such as magnetic order, and can be used to determine the coupling between magnetic moments through measurements of the spin-wave…