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Simulating and benchmarking neutron total scattering instrumentation from inception of events to reduced and fitted data
Author(s) -
Metz Peter C.,
Huegle Thomas,
Olds Daniel,
Page Katharine
Publication year - 2021
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576721004787
Subject(s) - beamline , instrumentation (computer programming) , detector , neutron scattering , neutron , computer science , interfacing , data reduction , neutron detection , neutron source , physics , optics , nuclear physics , computer hardware , data mining , beam (structure) , operating system
In the design and realization of modern neutron scattering instrumentation, particularly when designing beamline concepts from the ground up, it is desirable to fully benchmark against realistically simulated data. This is especially true for total scattering beamlines, where the future deliverable data is to be analysed in both reciprocal‐ and real‐space representations, and needs must be carefully balanced to ensure sufficient range, resolution and flux of the instrument. An approach to optimize the design of neutron scattering instrumentation via a workflow including ray‐tracing simulations, event‐based data reduction, heuristic analysis and fitting against realistically simulated spectra is demonstrated here. The case of the DISCOVER beamline concept at the Spallation Neutron Source is used as an example. The results of the calculations are benchmarked through simulation of existing instrumentation and subsequent direct comparison with measured data. On the basis of the validated models, the ability to explore design characteristics for future beamline concepts or future instrument improvements is demonstrated through the examples of detector tube size and detector layout.