Work

Small Angle Neutron Scattering in McStas: optimization for high throughput virtual experiments

Year: 2025

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 (GPUs). The acceleration schemes for the aforementioned models are benchmarked, and the resulting performance is presented. This allows for 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: JuSER (Forschungszentrum Jülich)

DOI: 10.48550/arxiv.2501.06054

Authors: Robledo, Jose, Lieutenant, Klaus, Willendrup, Peter

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: green

Funders: National Science Foundation, European Commission, Division of Materials Research