NuMagSANS: a GPU-accelerated open-source software package for the generic computation of nuclear and magnetic small-angle neutron scattering observables of complex systems

TL;DR

NuMagSANS is a GPU-accelerated open-source software that enables detailed analysis of nuclear and magnetic SANS data for complex systems, supporting flexible data import, rotational control, and a library of response functions.

Contribution

It introduces a versatile, GPU-accelerated tool for calculating nuclear and magnetic SANS observables with extensive data import and analysis capabilities.

Findings

Rapid computations for large datasets due to GPU acceleration

Flexible analysis of complex magnetic and nuclear structures

Comprehensive library of response functions for detailed insights

Abstract

We present NuMagSANS, a GPU-accelerated software package for calculating nuclear and magnetic small-angle neutron scattering (SANS) cross sections and correlation functions. The program allows users to import position-dependent nuclear density and magnetization data, providing a large flexibility for analyzing the scattering signatures of complex systems, particularly magnetic materials. Full rotational control of the sample is supported, allowing a comprehensive exploration of angular-dependent scattering features. NuMagSANS includes a versatile library of approximately 100 response functions that encompass two-dimensional SANS cross sections, correlation functions, and azimuthally averaged quantities. These capabilities allow users to gain detailed insight into the structural and magnetic characteristics of their samples. GPU acceleration ensures rapid computations, even for large data sets, making NuMagSANS a powerful and efficient tool for advanced SANS analysis.