7–12 May 2023
Venice, Italy
Europe/Zurich timezone

Interactive automated Bragg peak identification with 3D neutron scattering data

THPM117
11 May 2023, 16:30
2h
Sala Mosaici 2

Sala Mosaici 2

Poster Presentation MC8.U05: Other Applications Thursday Poster Session

Speaker

Matthew Kilpatrick (RadiaSoft (United States))

Description

Neutron scattering experiments have undergone significant technological development through large area detectors with concurrent enhancements in neutron transport and electronic functionality. Data collected for neutron events include detector pixel location in 3D, time and associated metadata, such as, sample orientation, neutron wavelength, and environmental conditions. RadiaSoft and Oak Ridge National Laboratory personnel are considering single-crystal diffraction data from the TOPAZ instrument. We are leveraging a new method for rapid, interactive analysis of neutron data using NVIDIA’s IndeX 3D volumetric visualization framework. We have implemented machine learning techniques to automatically identify Bragg peaks and separate them from diffuse backgrounds and analyze the crystalline lattice parameters for further analysis. The implementation of automatic peak identification into IndeX allows scientists to visualize and analyze data in real-time. Our methods include a robust comparison with current analysis techniques which show improvement in a variety of aspects. These improvements will be incorporated into IndeX for visualization to allow scientists an interactive tool for crystal analysis.

Funding Agency

This material is based upon work supported by the U.S. Department of Energy, Office of Science, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0021551.

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Author

Matthew Kilpatrick (RadiaSoft (United States))

Co-authors

Alexander Kuhn (Nvidia (United States)) Andrei Savici (Oak Ridge National Laboratory) Bogdan Vacaliuc (Oak Ridge National Laboratory) Christina Hoffmann (Oak Ridge National Laboratory) David Bruhwiler (RadiaSoft (United States)) Dragos Tatulea (Nvidia (United States)) Evan Carlin (RadiaSoft (United States)) James Kohl (Oak Ridge National Laboratory) Jörg Mensmann (Nvidia (United States)) Marc Nienhaus (Nvidia (United States)) Matthew Tucker (Oak Ridge National Laboratory) Peter Messmer (Nvidia (United States)) Robert Nagler (RadiaSoft (United States)) Steffen Roemer (Nvidia (United States)) Zachary Morgan (Oak Ridge National Laboratory)

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