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Carrie Campbell

Bill Boettinger

Agenda for High Throughput Analysis of Multicomponent Multiphase Diffusion Data

Thursday, March 27, 2003


8:00 Coffee and Bagels


8:30-9:00 Introduction (Boettinger, NIST)

Modify agenda by consensus


9:00-9:30 Review of Multicomponent Diffusion (Campbell, NIST)

- Definitions: Tracer, Instrinic, Chemical (Interdiffusion) and Data Sources

- Types of diffusion experiments

- Methods to extract diffusion coefficients (for a review of some of the methods

see Bouchet and Mevrel, Acta Mat. 50 (2002) 4887)



9:30-11:00 Summary of Availabe Software Tools for Calculating Concentration Profiles

9:30 Profiler- Morral, U Conn.

9:45 DICTRA Liu, Penn State

10:00 NIST Multiphase, Boettinger, NIST

10:15 Other work summary


10:30-11:00 Computer demonstrations

11:00-11:30 Discussion: Evaluation of current approaches: What are the limits of the

Darken approach?


11:30-12:00 High Throughput approach to Thermodynamics, Zi-Kui Liu, Penn State


12:00-1:00 Lunch NIST Cafeteria


1:00-1:30 MultiDiflux, Dayananda, Purdue


1:30-3:00 Discussion of Inverse Methods for Determining Interdiffusion Coefficients from Multicomponent Data

3:00-4:00 Detailed Description of DICTRA and DICTRA format Database

(Campbell, and Boettinger)

Description of DICTRA, Diffusion Data format and Assessment, Examples


4:00-5:00 Computer Demonstrations



6:30 Dinner: Sir Walter Raleigh Inn


Friday, March 28, 2003


8:00-9:00 Discussion on development of a web site, file sharing, teaching tools

Teaching Inverse Diffusion Methods Lupulescu, RPI

9:00-10:00 DICTRA operation issues: Grid resolution etc.,

10:00-11:00 Computer time for small discussions/demos

11:00-12:00 Action Items




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Last updated: July 24, 2008