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 NeutronBeam 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 12.3.2 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)

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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 micronExposure time 1s Readout time 1-4 sStep size 2 micron2000 x 2000pixelsSingle 45 deg geometryMirror to sample 7.5 cm

White beam

Sample

(a) X ray Fluorescence spectra and mapping

(b) Laue X ray Diffraction and strain mapping

Orientation Strain

Peak ID PeakFit

(d)Laue Phase mapping

Index

Library

Match MAP OF PHASES(limited for now)

XRF ImageXRD: orientation XRD:strain

Mind that data!

• As detector readout times are diminished, and beamsize 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.

WebApplication

BeamlineControlModule

DBSANSAN

JMS CA

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 moduleIntegration of YAWL from Queensland University of Technology

(Development)

Science Studio Structures

ProcessingService

DataServiceData

ServiceProcessing

Service

ANISE

Business ModelLayer

PersistenceLayer

DeviceProxies

Client ServicesLayer

BrowserBrowser

LaboratoryControl Module

ServiceProxies

Science Studio

LabatoryControl Module

IOCs

Beamline

IOCs

Beamline

General, commonComponent

XRD Processing

XRF Processing

Science Studio specificComponent

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.

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Improvements in Transfer and Processing

Download of an 8M file by internet: 6 seconds/fileDownload 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

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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

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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 OntarioLEO 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)

An Opportunity for other Synchrotrons

We invite your participation in this projectWe welcome your collaboration.