Novel Techniques & Connections Between High-Pressure Mineral Physics, Microtomography, & Cyberinfrastructure by Mark Rivers, University of Chicago
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Novel Techniques & Connections Between High-Pressure Mineral Physics, Microtomography, & Cyberinfrastructure by Mark Rivers, University of Chicago

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Talk at the EarthCube End-User Domain Workshop for Rock Deformation and Mineral Physics Research. ...

Talk at the EarthCube End-User Domain Workshop for Rock Deformation and Mineral Physics Research.

By Mark Rivers, University of Chicago

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  • 1. Future Opportunities and Challenges for Synchrotron X-ray Sources in the Earth Sciences Mark Rivers University of Chicago
  • 2. GSECARS Overview • GSECARS is a national user facility for synchrotron radiation research in geochemistry, mineral physics, and environmental science. – Funding: NSF-EAR Instrumentation and Facilities Division and DOE Geosciences. – Techniques: high-pressure diffraction (diamond anvil cell and multi-anvil press), XRF microprobe, microtomography, surface scattering, x-ray spectroscopy, powder diffraction – 3 undulator stations, 2 bending magnet stations; 4 stations operate simultaneously – Statistics for last 12 months: 466 unique users, 540 user visits, 283 experiments, 355 beam time requests, 110 publications
  • 3. Personal History of Computed Microtomography • 1987 at NSLS – 1 hour to collect a single slice using first-generation CT – 1 hour to reconstruct single slice • 2013 at APS (routine) – 10 minutes to collect 1040 slices – 1 minute to reconstruct 1040 slices • 104-106 improvements – Brighter x-ray sources – Detectors: 2-D with high sensitivity and rapid readout – Computers for fast reconstruction
  • 4. Complete Reconstruction Fly through in Z direction Soil aggregate 6.5 um/pixel 28 keV Sasha Kravchenko Michigan State Studying decay of organic material with time
  • 5. Tomography and Computing Infrastructure • Where we do NOT need major CI improvements – – – – Collection Reconstruction Local storage All of these are “domain independent” • Extracting scientifically useful information from images has NOT kept up, we do need help • Why? – The information to be extracted is highly specific to the problem (domain). – Cottage industry that does not scale to today’s problems
  • 6. Brighter X-ray Beams • Figure of merit of a storage ring like the APS, NSLS-II, or ALS is the emittance: • σxσ’x (horizontal) • σyσ’y (vertical) • APS emittance today has 3 nm-rad emittance • Brightness of the x-ray beams is directly proportional to the emittance APS electron beam profile today
  • 7. The Future The “New” APS Upgrade • BESAC recommended in July 2013 that the US agressively pursue MBA lattice • APS has made this new plan for the already approved upgrade • Reduce emittance to 60 pm-rad, 50X reduction • Reduce energy from 7 to 6 GeV • All new undulators • 2019 time frame • ~1 year shutdown APS electron beam profile after MBA upgrade
  • 8. 100X Higher Brightness • 100X more photons in the same focal spot size we use today – 100X higher time resolution for kinetic studies, deformation, etc. • 100X smaller spot with the same flux we have today – Reduce focal spot size in diamond anvil cell from 3 µm to 30 nm with no loss in intensity • Source is nearly diffraction limited • 100X higher coherent flux – Coherent x-ray diffraction, photon correlation spectroscopy (speckle) experiments have huge gains XPCS study of deformation
  • 9. Faster Detectors Microtomography • • • • PCO DIMAX HS 2277 frames/sec @ 2000x2000 pixels 5469 frames/sec @1440x1050 pixels Complete microtomography dataset in 0.1 second • 18GB/s peak, 600 MB/sec sustained • Time-resolved tomography: melting, deformation
  • 10. Faster Detectors Diffraction • • • • • • • • Dectris Eiger 75 x 75 micron pixels Single photon counting Up to 1 MHz/pixel 1030 x 1065 pixels 3,000 frames/sec 3.3 GB/sec Will stream lossless compressed images at full frame rate, ~600 MB/sec. • Time-resolved diffraction for fast reactions • Collect a full crystallography data set in 1 second
  • 11. X-ray diffraction in the diamond anvil cell Smaller beams, faster detectors 5 micron beam today 50 nm beam (ultra-high pressure, much more complex)
  • 12. Faster Detectors X-ray fluorescence mapping • Hitachi Quad Vortex silicon drift diode detector • XIA xMAP Digital Signal Processing electronics • 4 elements * 1000 pixels/sec = 4000 spectra/sec • 16 MB/sec sustained • 1 Mega pixel map in 20 minutes • Next generation detector and electronics reduces this to 5 minutes
  • 13. GSECARS 13-ID-E X-ray Microprobe XRF Imaging: high spatial resolution (500 nm) with high flux (>10 11 ph/s) Fe (~70 ppm) Mn (~70 ppm) Zn (~100 ppm) Arabidopsis seed Columbia-0 see Kim et al., Science, 2009 for background 7 µm 200 msec X26A NSLS 0.7 µm 13 msec 13-ID-E APS T. Punshon and A. Sivitz, Dartmouth
  • 14. XRF mapping challenges • • • • Map on previous slide has 1 million spectra like this Currently just map the total counts in each peak (region of interest) Really need to fit background, deconvolve overlapping peaks Not practical today
  • 15. Conclusions • Improvements in x-ray sources and detectors have the potential for transformative improvements in our science in 5-10 years – Improved spatial and temporal resolution – New science by exploiting the coherence of the x-rays • The problems that Martin Kunz presented yesterday will grow by several orders of magnitude • Clear need for major computing infrastructure improvements – If not there will be mountains of unprocessed data • These problems go beyond NSF-EAR. – DOE has major responsibility as operator of the facilities • However, in many cases we need “domain-specific” solutions because our problems and our data are often unique