10th Canadian Powder Diffraction Workshop

EDMONTON, ALBERTA, JUNE 2−4, 2017

Sponsored by Canadian National Committee for Crystallography

Hosted at NAIT − Northern Alberta Institute of Technology


Venue, Registration, and Workshop Objectives

The 10th Canadian Powder Diffraction Workshop will take place as a satellite event prior to the 54th Annual Clay Minerals Society Conference (www.cms2017.com). The Workshop will be held at NAIT’s facilities in Edmonton where powder diffraction instrumentation and software will be made available for Registrants at the Workshop.

Participation to the Workshop will be limited to approximately 30 Registrants. This will ensure plenty of facetime for Registrants, Lecturers and Instructors to mingle and exchange about currents trends in powder diffraction while learning/reviewing the basics of the field.

The Workshop is targeted towards students, postdocs and practitioners who would benefit from an improved understanding of the basic theory and practice of powder diffraction for analyzing materials.

Registrants are invited to bring one or two problems of their own research to be worked out at the Workshop with expert advice from the Lecturers and Instructors who will be present.

Short demonstrations and presentations will be spread out over the three days in order for the Registrants to appreciate some of the theory and practice behind the process. Examples of some simple and some more difficult powder diffraction analyses and Rietveld refinements will be presented, as well as hints on preparing data for publication. Those who do not have access to a powder diffractometer can arrange to collect data in advance of the Workshop. Several practice data sets will be supplied.


Workshop Programme

Friday June 2nd
8:00-8:30Continental BreakfastAllX107
08:30-08:45Welcome & IntroductionsPatrick H.J. MercierX107
08:45-09:30Intro to diffraction, structure factors, reciprocal spaceJames F. BrittenX107
09:30-10:15Visualization of reciprocal space with MAX3D software
10:15-10:30BreakAllX107
10:30-11:15Intro to powder diffraction and the Rietveld MethodRobert B. Von DreeleX107
11:15-12:00Demonstration of GSAS-II software and its functionalities
12:00-13:00LunchAllX107
13:00-13:45Neutron scattering methods for materials characterization: diffraction and incoherent scatteringMichael A. GharghouriX107
13:45-14:30Examples of synchrotron and neutron powder diffraction Jacques HuotX107
14:30-14:45BreakAllX107
14:45-15:30Intro to BGMN software with selected simple examplesKristian UferX107
15:30-16:15Simple Rietveld XRD examples with TOPAS softwarePatrick H.J. MercierX107
16:15-18:00Work on practice data sets and individual research problemsAllX107
Saturday June 3rd
8:00-9:00Continental BreakfastAllX107
9:00-09:45Stress analysis using neuton diffractionMichael A. GharghouriX107
09:45-10:30Phase ID and search-match with EVA softwareBussaraporn PatarachaoX107
10:30-11:15Sample preparation for powder diffractionAnita LamX107
11:15-12:00Troubleshooting Rietveld refinements with SVDdiagnosticPatrick H.J. MercierX107
12:00-13:00LunchAllNorth Lobby
13:00-13:452D, 3D techniques for residual stress & texture analysis James F. BrittenX107
13:45-14:30Rietveld quantitative phase analysis of geological materialsKristian UferX107
14:30-14:45BreakAllNorth Lobby
14:45-15:30Analysis of nanophase materials with powder diffraction Patrick H.J. MercierX107
15:30-16:15Modern software development for powder diffractionRobert B. Von DreeleX107
16:15-18:00Work on practice data sets and individual research problemsAllX107
Sunday June 4th
8:00-8:30Continental BreakfastAllNorth Lobby
08:30-09:15Work on practice data sets and individual research problemsAllX111
09:15-10:00X-ray, neutron and synchrotron in situ studies on metal hydridesJacques HuotX111
10:00-10:30BreakAllNorth Lobby
10:30-11:15Crystal-chemical Rietveld refinement: A new conceptPatrick H.J. MercierX111
11:15-12:00Structure solutions with powder diffractionPamela S. Whitfield
(given by P.H.J. Mercier)
X111
12:00-13:00LunchAllNorth Lobby
13:00-13:45Rietveld XRD of clay minerals with stacking disorderKristian UferX111
13:45-14:30Protein structure solution by macromolecular powder diffractionRobert B. Von DreeleX111
14:30-15:00Closing remarks, feedback and roundtable discussionAllX111
15:00-18:00Work on practice data sets and individual research problemsAllX111
15:00-18:00Visit to NAIT's powder Difftaction FacilitiesXinsong Lin, AllX111

Workshop Lecturers & Instructors 

James F. Britten, Ph.D.
Manager & Scientific Director, Analytical X-ray Diffraction Facility, McMaster University, Hamilton, ON
Software: MAX3D (developer); TOPAS (user)
http://www.chemistry.mcmaster.ca/facilities/xray
britten@mcmaster.ca

Michael A. Gharghouri, Ph.D.
Senior Research Officer
Canadian Neutron Beam Centre
Canadian Nuclear Laboratories
Chalk River, ON
www.cnl.ca/en/home/facilities-and-expertise/cnbc.aspx
Michael.Gharghouri@cnl.ca

Jacques Huot, Ph.D.
Professor
Institut de recherches sur l’hydrogène (IRH)
Université du Québec à Trois-Rivières, QC
Software: TOPAS (user)
www.uqtr.ca/IRH
Jacques.Huot@uqtr.ca

Anita Lam
X-ray Specialist
University of British Columbia, Vancouver, BC
Software: Bruker DIFFRAC.SUITE, EVA, TOPAS (user)
https://www.chem.ubc.ca/anita-lam
aelam@chem.ubc.ca

Xinsong Lin, Ph.D.
Research and Development Scientist
NAIT Applied Research Centre for Oil Sands Sustainability, Edmonton, AB
Software: Bruker DIFFRAC.SUITE, EVA, TOPAS (user)
www.nait.ca/oilsands
xinsongl@nait.ca

Patrick H.J. Mercier, Ph.D.
Senior Research Officer
*Chair, Canadian National Committee for Crystallography
National Research Council Canada, Ottawa, ON
Software: SVDdiagnostic (developer); TOPAS (user)
www.nrc.ca
patrick.mercier@nrc-cnrc.gc.ca

Bussaraporn Patarachao
X-ray Methods Facility Coordinator
National Research Council Canada, Ottawa, ON
Software: Bruker DIFFRAC.SUITE, EVA, TOPAS (user)
www.nrc.ca
bussaraporn.patarachao@nrc-cnrc.gc.ca

Kristian Ufer, Ph.D.
Research Scientist
BGR [Federal Institute for Geosciences and Natural Resources], Hannover, Germany
Software: BGMN (developer); DIFFaX (user)
www.bgr.bund.de/EN
Kristian.Ufer@bgr.de    

Robert B. Von Dreele, Ph.D.
Sr. Physicist
Argonne National Laboratory, Chicago, USA
Software: GSAS-II, GSAS (developer); DiFFAX (user)
https://subversion.xor.aps.anl.gov/trac/pyGSAS
vondreele@aps.anl.gov

Pamela S. Whitfield, Ph.D., MRSC CChem
Instrument Scientist – POWGEN
*Chair, IUCr Commission on Powder Diffraction
Spallation Neutron Source, Oak Ridge National Laboratory, Oak Ridge, TN
Software: TOPAS (beta tester) and many others
https://www.ornl.gov/staff-profile/pamela-s-whitfield
whitfieldps@ornl.gov