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

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

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

Original Requirements for Science Studio : (1)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.

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

Network at present: (1)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 at ALS (Berkeley) connected via 10G fibre (to be established this summer)

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

XRF Spectral Processing using ”Peakaboo”

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

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

11 Experimental setup for Laue at VESPERS K-B Mirrors CCD X-ray beam direction x y CCD image coordinates Laue micro diffraction characteristics at VESPERS (using the Beamline 34-ID slide) 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

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

XRF ImageXRD: orientationXRD:strain

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

Beamline Controls Interfaces  EPICS Tools  Configuration Tool  User GUI & ROOT

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 DB SAN JMSCA VESPERS HTTP

Project Display

PROJECT DISPLAY (VESPERS)

VESPERS XRF –view after run

Beamline Hutch Cameras

Nanofab Integration Design

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

Edit Proposal (Development)

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

Science Studio Structures

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. 26

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: seconds/file Processing of many 8M files by C-Cell/XMAS: 0.6 seconds/file 30

Work Underway XMAS software (BL 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 31

File Transfer and Processing

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

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 XRD Data Analysis (Development)

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