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)


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

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


Atomic scale structure of nanosized objects

Valeri Petkov, Central Michigan University, USA


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)


In-situ pair-distribution-function measurements

Peter J. Chupas, Argonne National Laboratory, USA


Glass from a liquid by heating: in situ diffraction measurements

Aleksei Bytchkov, ESRF Grenoble, France


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)


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

Daniel T. Bowron, ISIS Facility, UK


PDF in three dimensions - what's the difference?

Thomas Weber, ETH Zurich, Switzerland


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


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)


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

Reinhard B. Neder, Erlangen University, Germany


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

Philippe Schaub, ETH Zürich, Switzerland


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)


Molecular solids probed by PDF

Stefan Brühne, Frankfurt University, Germany


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

Monica Dapiaggi, Università degli Studi di Milano, Italy


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)


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


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


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)


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


Structural analysis of nano-transition-metal-oxides

Shinichi Shamoto, Japan Atomic Energy Agency


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

Silvia Imberti, Rutherford Appleton Laboratory, UK


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)


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