RMCProfile Workshop
February 10-12, 2016
Iran Thomas Auditorium, Spallation Neutron Source
Event Contact: Melissa Richards, 865-705-3119 (mobile); 865-241-5176 (office); richardsmk@ornl.gov
Agenda as of January 26, 2016
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Wednesday, February 10, 2012 |
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12:00-1:00pm Registration (Lunch on your own) |
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1:00-1:20pm |
Welcome and Introductions |
Katharine Page, Igor Levin, and Matthew Tucker |
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Basic Techniques and Tutorials |
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1:20-1:50pm |
General Introduction to Local Structure and Modeling Methods |
TBD |
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1:50-3:20pm |
RMCProfile Tutorial Part A |
Dr. Matthew Tucker |
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Coffee Break (20 Minutes) |
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3:40-5:10pm |
RMCProfile Tutorial Part B |
Dr. Matthew Tucker |
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Travel To Dinner |
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6:00-8:00pm Dinner Prof. Takeshi Egami will present a dinner talk titled, “Past, present and future of total scattering research.” |
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Thursday, February 11, 2012 |
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Scientific Session A |
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9:00-9:30am |
Reverse Monte Carlo of Polar Materials and Solid Solutions |
Prof. Daniel Shoemaker |
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9:30-9:50am |
Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3 |
Dr. Geneva Laurita (Seshadri Group) |
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9:50-10:10am |
Local and mesoscale electric-field induced structural changes in ferroelectrics and dielectrics |
Prof. Jacob Jones |
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10:10-10:30am |
Peizoelectric Materials at Morphotropic Phase Boundaries |
Prof. Michelle Dolgos |
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Coffee Break (20 minutes) |
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Scientific Session B |
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10:50-11:20am |
RMC With Molecular Crystals |
Prof. Martin Dove |
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11:20-11:40am |
Quantifying stacking defaults in honeycomb-ordered layered oxides |
Dr. Jue Liu (former Khalifah Group) |
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11:40-12:00am |
RMC Techniques for Next Generation Battery Materials |
Mr. He Huang (Nazar Group) |
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12:00am-12:20pm |
Defects and disorder for the control of negative thermal expansion |
Prof. Angus Wilkinson |
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Lunch Break (60 minutes) |
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Advanced RMC Techniques and Tutorials |
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1:20-1:50pm |
Insight into Magnetic Nanostructure with RMC |
Prof. Andrew Goodwin |
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1:50-2:20pm |
Data Fusion in RMCProfile |
Dr. Igor Levin |
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2:20-2:50pm |
Representational Analysis of Extended Disorder in Atomistic Ensembles Derived from Total Scattering Data |
Prof. James Neilson |
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Coffee Break (20 Minutes) |
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3:10-3:50pm |
RMC Refinement for Frustrated Magnets: Revealing Spin Correlations using the Spinvert Software |
Dr. Joseph Paddison |
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3:50-4:30pm |
Data Fusion Example in RMCProfile |
Dr. Victor Krayzman and Dr. Igor Levin |
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4:30-5:30pm |
Open Tutorial: Your Science and Data |
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Poster Session with Dinner (5:30 – 7:30 PM) |
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Friday, February 12, 2012 |
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Future Directions in RMC Modeling |
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9:00-9:30am |
Advancing RMC Modelling |
Prof. Tyrel McQueen |
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9:30-10:00am |
FullRMC, Rigid Body RMC Modelling Enabled by Machine Learning |
Dr. Bachir Aoun |
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10:00-10:30am |
Examples of Unique Computational Approaches to The Modeling of PDF data: Can We Utilize All Computational Capabilities? |
Dr. Hsiu-Wen Wang and Dr. Lukas Vlcek |
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Coffee Break (20 minutes)
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10:50-11:00am |
Discussion Starters for Breakout Sessions |
Igor Levin, Matthew Tucker, and Katharine Page |
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11:00am-12:00pm |
Future Instrumentation Developments
Future Software Developments
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Richard Ibberson / Tyrel McQueen Lead?
Thomas Proffen / Andrew Goodwin Lead?
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Lunch and Workshop Debrief (90 Minutes) |
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Poster Session |
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Participant |
Affiliation |
Poster Title |
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Allen Scheie
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Johns Hopkins University |
Magnetic Order in Honeycomb Lattice NaNi2BiO6 |
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Tedi Marie-Usher |
North Carolina State University |
Electric-field-induced structural changes at the local scale in dielectrics and ferroelectrics |
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Leo Lamontagne |
University of California, Santa Barbara |
Local Structure Effects on the Insulator-Metal Transition in Complex Palladium Oxides |
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Erica Howard |
University of Southern California |
Determining Site Distribution in Complex Phyllosilicates |
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Alexandria Hoeher |
Virginia Tech |
Examining the Structure and Evolution of Amorphous Calcium Phosphate |
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Anup Pandey |
Ohio University |
Force Enhanced Atomic Refiment (FEAR) : A structural refinement using RMC and Force |
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Honore Djieutedjeu |
University of Kentucky |
Complex layered heterostructures: Efficient and low-cost energy materials for the next generation of mulifunctional devices |
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Daniel Olds |
Oak Ridge National Laboratory |
Resolving local and long range order in nanostructured functional oxides |
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Abney Carter |
Oak Ridge National Laboratory |
XAFS Investigation of Uranyl Binding by Amidoxime-Functionalized Polymers |
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Peter Peterson |
Oak Ridge National Laboratory |
Mantid |
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Hsiu-Wen Wang |
Oak Ridge National Laboratory |
Resolving the Structure of Ti3C2Tx MXenes through Multi-Level Structural Modeling of the Atomic Pair Distribution Function |
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Dong Hou |
North Carolina State University |
Temperature-induced Average and Local Structural Changes of BaTiO3−Bi(Zn0.5Ti0.5)O3 |
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Jessica Panella |
Johns Hopkins University |
The tentative title will be "Probing the Structure of Quasi One-Dimensional Analogues of Bismuth Sulfide Superconductors |
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Xiqian Yu |
Brookhaven National Laboratory |
Effect of metal-metal bonding on lithium-ion battery performance revealed by local structure investigation |
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Adam Vogt |
Oak Ridge National Laboratory |
Scattering studies of metallic liquids using the Neutron ElectroStatic Levitator (NESL) |
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Dylan Fast |
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Atomic and electronic structural characterization of amorphous InGaZnO4 |
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Arnold Paecklar |
Colorado State University |
Simultaneous detection of kinetics and structure through a combination of isotope contrasted total scattering and steady-state isotopic transient kinetic analysis |
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Jennifer Morey |
Johns Hopkins University |
Doped oxypnictide series begs the question: local disorder on the pnictide site |
| Joe Paddison | Georgia Tech | Spin Dynamics and Disorder of the Frustrated Antiferromagnet MgCr2O4 |
