Extended range X-ray pair distribution functions

Benmore, C. J.; Alderman, O. L.G.; Robinson, D.; Jennings, G.; Tamalonis, A.; Ilavsky, J.; Clark, E.; Soignard, E.; Yarger, J. L.; Weber, J. K. R.

doi:10.1016/j.nima.2019.163318

Extended range X-ray pair distribution functions

Journal Article · Thu Dec 19 00:00:00 EST 2019 · Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment

DOI:https://doi.org/10.1016/j.nima.2019.163318· OSTI ID:1606505

Benmore, C. J. ^[1]; Alderman, O. L.G. ^[2]; Robinson, D. ^[1]; Jennings, G. ^[1]; Tamalonis, A. ^[2]; Ilavsky, J. ^[1]; Clark, E. ^[2]; Soignard, E. ^[3]; Yarger, J. L. ^[3]; Weber, J. K. R. ^[4]

Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Materials Development, Inc., Arlington Heights, IL (United States)
Arizona State Univ., Tempe, AZ (United States)
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Materials Development, Inc., Arlington Heights, IL (United States)

Here we describe a dual detector system for high-energy X-ray, simultaneous, small and wide-angle X-ray scattering (SAXS and WAXS), designed to extract extended-range pair distribution functions (ER-PDF) for disordered materials. The hardware and software provides continuous reciprocal space coverage over atomic to nanometer length-scales. Details of the varying resolution, splicing of data and normalization on an absolute scale are outlined. In addition, the combination of SAXS and WAXS theory is considered with a view to enabling a direct Fourier transformation of the structure factor spanning multiple length-scales into real space. Important distinctions between the ER-PDF and the pair distance distribution function (PDDF) representations are demonstrated. It is shown that when the SAXS intensity in the structure factor, S(Q), is similar to the WAXS intensity, the contributions to the ER-PDF are minimal. However, when the SAXS S(Q) intensities are substantially stronger than the WAXS, the ER-PDF can provide important structural information on the local, intermediate and nanometer length-scales. Notably, the ER-PDF method provides direct information on particle sizes and their density distributions, overcoming the limitations of PDDF analysis for densely packed systems.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-06CH11357; SC0015241

OSTI ID:: 1606505

Alternate ID(s):: OSTI ID: 1702602

Journal Information:: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment, Journal Name: Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment Journal Issue: C Vol. 955; ISSN 0168-9002

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND TECHNOLOGY
Pair distribution function
disordered materials
pair distance distribution function
small angle scattering
wide angle scattering
x-ray diffraction

Extended range X-ray pair distribution functions

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