3rd US School on Total Scattering Analysis

C-156 (Spallation Neutron Source)


Spallation Neutron Source

8600 Spallation Drive, Oak Ridge, TN 37830
Katharine Page (ORNL), Matt Tucker, Thomas Proffen (ORNL)

This school is aimed at introducing total scattering data and modelling methods and demonstrating their use in understanding complex functional materials, in addition to reviewing recent developments and future directions in the technique. Most of the school will be focused on providing hands-on training with total scattering analysis software, with the balance focused on providing a technical foundation and highlighting exemplary work in the community.

Total scattering (and the associated pair distribution function technique), an extension of diffraction methods, is increasingly prevalent in modern materials studies. The unique combination of Bragg and diffuse scattering has related vacancies in high temperature ceramics to both their superionic conductivity and phase stability, nanometer-sized polar domains or nanoregions in relaxor ferroelectrics to their enhanced dielectric and piezoelectric properties, and vacancy/disorder arrays and other subtle local correlations to the mechanisms of high-Tc superconductivity. These methods have further proven critical in understanding guest-host interactions, amorphous to crystalline transitions, local spin correlations, and other disordered crystalline materials phenomena.

Total scattering is most informative when modeled atomistically with computational methods. Modern software spans small and large box approaches and can incorporate neutron and x-ray PDF, EXAFS & single crystal diffuse scattering data. Resulting atomistic models aid scientists from diverse disciplines in understanding the inner-workings of property mechanisms, and ultimately in optimizing and controlling them through atomic structure modification.

Topics covered:

Introduction to Total Scattering
Modern Total Scattering Instruments and Data
Hands-on Data Analysis with:

  • Small box modeling with PDFGui & Diffpy-CMI
  • Large box modeling with RMCProfile & EXAFS data
  • Building and refining nanoparticles with DISCUS

ORNL Organizers:

Katharine Page,Thomas Proffen and Matt Tucker

BNL Organizers:

Daniel Olds, Milinda Abeykoon, Emil Bozin and Eric Dooryhee

Additional Confirmed Speakers:
Igor Levin, National Institute of Standards and Technology
Reinhard Neder, University of Erlangen, Germany

  • Abdur Rahman Shazed
  • Aleksandr Ivanov
  • Alex Solomon
  • Alexandre Foucher
  • Amani Ebrahim
  • Andreas Reitz
  • Bo Jiang
  • Bola Yoon
  • Bryan Zanca
  • Candice Kinsler-Fedon
  • Chenguang Yang
  • Christopher Shuck
  • Christopher Tang
  • Colin Harmer
  • Damilola Akamo
  • Dimitriy Vovchok
  • Edyta Pęśko
  • Fahima Islam
  • Gabrielle Kamm
  • Gregory Day
  • Gregory Day
  • Hasitha Suriya Arachchige
  • Hind Adawi
  • Julian Mars
  • Kavish Kaup
  • Kyle Kriegsman
  • Laidong Zhou
  • Lauren Blanc
  • Leo Zella
  • Lisa Housel
  • Mahmoud Elmehlawy
  • Matthew Cothrine
  • Matthew Ryder
  • Megan Murphy
  • Mikkel Juelsholt
  • Nicole LiBretto
  • Nitin Muralidharan
  • Palani Raja Jothi
  • Patricia Loughney
  • Patrick Huston
  • Paul Cuillier
  • Peter Csernica
  • Qian Li
  • Qiang Gao
  • Raju Baral
  • Ramana Murali Srinivasan
  • Rebecca McAuliffe
  • Rhiannon Garrard
  • Robert Koch
  • Rui Zhang
  • Saewon Kim
  • Seda Ulusoy
  • Shangye Ma
  • Silvana R. Urcia-Romero
  • Sreya Paladugu
  • Stephen Purdy
  • Suchidmita Sarker
  • Sungun Wi
  • Tongxin Zhou
  • Viviana Avila
  • Wesley Robertson
  • Xianghui Xiao
  • Xin Wang
  • yang cao
  • Yevgeny Rakita Shlafstein
  • Yi-Fan Wu
  • Yulong Wang
  • Zachary Brubaker
  • Zongyang Lyu
The agenda of this meeting is empty