Journal
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 54, Issue -, Pages 1047-1056Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S1600576721004787
Keywords
neutron scattering simulation; neutron instrumentation; powder diffraction; total scattering
Categories
Funding
- US Department of Energy, Office of Science, Office of Basic Energy Sciences, Early Career Research Program [KC040602, DE-AC05-00OR22725]
- Office of Science of the US Department of Energy [DE-AC05-00OR22725]
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In the design and realization of modern neutron scattering instrumentation, it is important to fully benchmark against realistically simulated data. Optimizing the design through methods like ray-tracing simulations can be effectively used in future instrument improvements.
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.
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