Total scattering Pair Distribution Function analysis using X-rays and neutrons:
powder diffraction and complementary techniques

Venue: ESRF Auditorium

 

SUNDAY October 21st, 2007
19:30 Welcome Buffet at the ESRF/ILL restaurant

 

MONDAY October 22nd, 2007
08:30-09:00 Registration
09:00-09:10 Welcome by Sine Larsen, Research Director of the ESRF
 

Session 1
Applications in Breakthrough Areas 1

Chairs: W. Crichton (ESRF) and M. Brunelli (ESRF)

09:10-09:50

Structure solution and refinement of nanostructures from atomic pair distribution function data

Simon J. L. Billinge, Michigan State University, USA

09:50-10:10

Atomic scale structure of nanosized objects

Valeri Petkov, Central Michigan University, USA

10:10-10:30

PDF studies of pressure-induced changes in zeolites

Joseph Hriljac, University of Birmingham, UK

10:30-11:00 Coffee Break
 

Session 2
PDF from Power Data

Chair: G. Vaughan (ESRF)

11:00-11:40

In-situ pair-distribution-function measurements

Peter J. Chupas, Argonne National Laboratory, USA

11:40-12:00

Glass from a liquid by heating: in situ diffraction measurements

Aleksei Bytchkov, ESRF Grenoble, France

12:00-12:20

Thermal expansion of metallic glasses studied by real-space distribution functions obtained from X-ray diffractometry investigations

Dmitri Louzguine-Luzgin, Tohoku University, Japan

12:20-14:00 Lunch at the ESRF/ILL restaurant
 

Session 3
Complementary Techniques

Chair: C. Ferrero (ESRF) and M. Johnson (ILL)

14:00-14:40

Structure refinement of neutron and X-ray scattering data for liquid and glassy systems

Daniel T. Bowron, ISIS Facility, UK

14:40-15:20

PDF in three dimensions - what's the difference?

Thomas Weber, ETH Zurich, Switzerland

15:20-15:40

Structural characterization of active sites in a light-emitting sodium lanthanide tetrafluoride from diffuse scattering

Hans-Beat Bürgi, Department of Chemistry and Biochemistry Bern, Switzerland

15:40-16:00

Combined PDF/EXAFS RMC refinements of local structures in perovskite solid solutions

Igor Levin, National Institute of Standards and Technology Gaithersburg, USA

16:00-16:30 Coffee Break
 

Session 4
Developments in Modeling and Fitting Method

Chair: C. Ferrero (ESRF) and M. Johnson (ILL)

16:30-17:10

Structure refinement of II-VI semiconductor nanoparticles based on PDF measurements

Reinhard B. Neder, Erlangen University, Germany

17:10-17:35

Using three-dimensional PDF analysis for investigation of local disorder in d-AlCuCo quasicrystals

Philippe Schaub, ETH Zürich, Switzerland

17:35-17:50

Synthesis process of inorganic nanoparticles

Elizabeth Chavira, Universidad Nacional Autónoma de México

18:00-19:30 Poster Session and Cocktail on the ESRF Mezzanine

 

TUESDAY October 23rd, 2007
 

Session 5
Applications in Breakthrough Areas 2

Chairs: S. Billinge (Michigan State University) and. A. Fitch (ESRF)

09:10-09:50

Molecular solids probed by PDF

Stefan Brühne, Frankfurt University, Germany

09:50-10:15

Pair distribution function analysis applied to negative thermal expansion materials: preliminary results on Cu2O and Ag2O

Monica Dapiaggi, Università degli Studi di Milano, Italy

10:15-10:30

Local order of deuterium in metal deuterides

Radovan Cerny, Université de Genève, Switzerland

10:30-11:00 Coffee Break
 

Session 6
PDF from Neutron Data

Chairs: G. Cuello (ILL) and H. Fischer (ILL)

11:00-11:40

Pressure induced amorphisation in ZrW2O8: A structural analysis based on RMC modelling of neutron and X-ray total scattering

David A. Keen, ISIS Facility, UK

11:40-12:00

Understanding the insulating phase in CMR manganites: shortening of the Jahn-Teller long-bond across the phase diagram of La1-xCaxMnO3

Emil Bozin, Michigan State University, USA

12:00-12:20

High pressure PDF analysis of ReO3

Tapan Chatterji, ILL Grenoble, France

12:20-14:00 Lunch at the ESRF/ILL restaurant
 

Session 7
PDF from Power Data: Data Processing Strategies

Chair: M. Schmidt (Frankfurt University)

14:00-14:40

Optimized filtering of 2D powder diffraction data as a prerequisite for PDF analysis of samples in reaction and diamond anvil cells

Robert E. Dinnebier, MPI Stuttgart, Germany

14:40-15:00

Structural analysis of nano-transition-metal-oxides

Shinichi Shamoto, Japan Atomic Energy Agency

15:00-15:15

Microscopic structure of concentrated electrolyte solutions through neutron diffraction and EPSR simulation

Silvia Imberti, Rutherford Appleton Laboratory, UK

15:15-15:35

Non-conventional scattering studies of materials using a laboratory image plate diffractometer

Lynne Thomas, University of Glasgow, UK

15:35-16:00 Coffee Break
 

Session 8
Software Demonstration

Chair: S. Brühne (Frankfurt University)

16:00-16:40

Understanding short- and medium range order in materials using total neutron scattering

Thomas Proffen, LANL Los Alamos, USA

16:40-18:30 Practices, examples and closing remarks
   
20:00 Workshop Dinner at the Restaurant La Corne d'Or, Corenc