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Of Remote Beamlines, Micro-diffraction and HP Network Computing

Of Remote Beamlines, Micro-diffraction and HP Network Computing. VESPERS X ray Beamline Capabilities: Micro-diffraction/fluorescence User Base: Earth and Materials Scientists Unique Features: simultaneous XRF/XRD, remote operation. November 2008.

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Of Remote Beamlines, Micro-diffraction and HP Network Computing

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  1. Of Remote Beamlines, Micro-diffraction and HP Network Computing VESPERS X ray Beamline Capabilities: Micro-diffraction/fluorescence User Base: Earth and Materials Scientists Unique Features: simultaneous XRF/XRD, remote operation November 2008

  2. Remote Access to some facilities makes sense in Canada! Canadian Light Source Canadian Neutron Beam Centre “Western”

  3. Pros and Con’s of Remote Beamline Operation • Con’s • Few successful regularly working models • Present community of users is unconvinced • Difficult transition period • Pro’s • More flexible scheduling • Near real time processing of data • more information from data processing • All experimental and processing parameters retained

  4. Original Requirements for Science Studio: • Convenient control of all aspects of an X ray fluorescence (XRF) facility: visible sample, easy sample manipulation, all functions visible, fast response (latency), rapid download (60Mb/min), user- friendly data analysis offline. • (2) Similar control of Laue XRD facility (on same beamline), very rapid download (8Mb/s), online data analysis. • (3) Control and download from of SEM/ EDX facilities at • Nanofab (UWO), running under proprietary software.

  5. Challenges: (1) Protection of source systems under all circumstances. (2) Obey all user protocols established by the sources. (3) Extend the software to develop new user paradigms (data sharing, discussions, remote teaching sessions). (4) Expandable

  6. Network at present: • XRF and XRD facilities at the VESPERS CLS beamline • connected to a Science Studio servers at SHARCNET • via 1G fibre linkage (XRD still in testing) • (2) SEM/ EDX facilities at Nanofab UWO • connected to the same servers via standard internet • (remote desktop). • (3) XRD facilities at beamline 12.3.2 at ALS (Berkeley) • connected via 10G fibre (to be established this summer)

  7. Mind that data! • Image data files are massive! • For 8M images one experiment produces 8-10G of data. • Indexing and strain refinement take hours after the • experiment using advanced desktop computers. • Running IDL –based software requires experience

  8. XRF Spectral Processing using ”Peakaboo”

  9. SRM 610: SXRF Spectra (linear) produced by 10% bandpass&white radiation (a) 10% bandpasscentred at 22KV (b) White radiation

  10. Elemental Mapping (150 u field) of a Uranium Mine Tailings using VESPERS XRF (Tom Kotzer) Optical image of tailing sample

  11. Experimental setup for Laue at VESPERS CCD x y CCD image coordinates K-B Mirrors X-ray beam direction X-ray beam size 2 micron Exposure time 1s Readout time 1-4 s Step size 2 micron 2000 x 2000pixels Single 45 deg geometry Mirror to sample 7.5 cm White beam Sample Laue micro diffraction characteristics at VESPERS (using the Beamline 34-ID slide) 11

  12. (a) X ray Fluorescence spectra and mapping Peak ID Peak Fit (b) Laue X ray Diffraction and strain mapping Orientation Strain Library (d)Laue Phase mapping Index Match MAP OF PHASES (limited for now)

  13. XRD: orientation XRD:strain XRF Image

  14. Mind that data! • As detector readout times are diminished, and beam • size decreases the processing logistics and time required • becomes even less manageable • Analysis of data during a run is impossible • . Use of high speed data transfer to HP computing • centres becomes attractive

  15. Beamline Controls Interfaces EPICS Tools Configuration Tool User GUI & ROOT

  16. VESPERS Beamline VESPERS — Very Sensitive Elemental and Structural Probe Employing Radiation from a Synchrotron A new bending magnet beamline at the Canadian Light Source. Techniques: X-Ray Fluorescence (XRF) & X-Ray Diffraction (XRD) XRF has widespread use; XRD has great potential and enormous computing needs. Web Application Beamline Control Module VESPERS HTTP JMS CA SAN DB

  17. Project Display

  18. PROJECT DISPLAY (VESPERS)

  19. VESPERS XRF –view after run

  20. Beamline Hutch Cameras

  21. Nanofab Integration Design

  22. View of INCA Computer Screen and also SEM Computer View of Sample Image using Frame Grabber Hardware/Software INCA Computer screen – EDX analysis software SEM computer sample image view

  23. Edit Proposal (Development)

  24. Integration of YAWL from Queensland University of Technology (Development) Scheduling Workflow using the YAWL module

  25. Science Studio Structures

  26. Immediate Objectives • XRD and XRF scans to be downloaded to HP computing facilities at UWO (SHARCNET) during the experiment. • Near real time availability of micro strain and orientation information on materials • Assessment of diffraction streaks to recognize dislocation families and directions.

  27. Improvements in Transfer and Processing Download of an 8M file by internet: 6 seconds/file Download of many 8M files by lightpath: 0.3 seconds/file Processing of an 8M file by serial IDL: 12-15 seconds/file Processing of many 8M files by C-Cell/XMAS: 0.6 seconds/file

  28. Work Underway • XMAS software (BL 12.3.2 at ALS) rewritten (at UWO) in C code with key computation steps parallelized (cell computing) • Download service written (at CLS) for VESPERS XRD as part of the Science Studio project • XRD User Interfaces for processing and outputs developed (at UWO) • Parallel development of IBM Infostreams software

  29. File Transfer and Processing

  30. Neutron Spectrometry • Canadian Neutron Beam Centre • Renewal of operating software • under review • Need for remote access to overcome • security issues • Data processing speed is less important • Long experience with remote access • Involvement with Science Studio under review

  31. Science Studio Current/Planned Installations • Canadian Light Source • VESPERS (XRD and XRF) • Brockhouse • User Office Modules • University of Western Ontario • LEO 1540XB Scanning Electron Microscope (SEM) • Oxford x-ray system controlled by INCA Software with WebVNC. • Laboratório Nacional de Luz Síncrotron (LNLS Brazil) • XAF (Development) • Electron Microscrope (Development) • User Office Modules (Under Consideration) • Advanced Light Source • 12.3.2 XRD Data Analysis (Development)

  32. An Opportunity for other Synchrotrons We invite your participation in this project We welcome your collaboration.

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