Work

Small angle neutron scattering in McStas: Optimization for high-throughput virtual experiments

Year: 2024

Type: article

Abstract: In this work, we present the development of small-angle scattering components in McStas that describe the neutron interaction with 70 different form and structure factors. We describe the considerations taken into account for the generation of these components, such as the incorporation of polydispersity and orientational distribution effects in the Monte Carlo simulation. These models can be parallelized by means of multi-core simulations and graphical processing units. The acceleration schemes for the aforementioned models are benchmarked, and the resulting performance is presented. This allows the estimation of computation times in high-throughput virtual experiments. The presented work enables the generation of large datasets of virtual experiments that can be explored and used by machine learning algorithms.

Source: Journal of Neutron Research

DOI: 10.1177/10238166251313936

Authors: José Ignacio Robledo, Klaus Lieutenant, Peter Willendrup

Institutions: Forschungszentrum Jülich, European Spallation Source, Technical University of Denmark

Language: English

Topic: Nuclear Physics and Applications

Subfield: Radiation

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: hybrid

Estimated APC paid: $4,150

Funder: HORIZON EUROPE Marie Sklodowska-Curie Actions