Notes for High Throughput Analysis of Multicomponent Multiphase Diffusion Data Workshop May 12&13, 2008

Notes from Diffusion Workshop

 

Hydrogen Diffusion

Flaganan data for Pd-H, Pd-Ag (Pd-Cu-H) also exist.

Weiming Huang, Susanne M. Opalka, Da Wang, Ted B. Flanagan, Thermodynamic modelling of the Cu-Pd-H system, CALPHAD 31 (2007) 315-329.

 

Other suggestions for membrane technology; fast diffusion for H

 

H diffusion in pipeline steels (BCC)

What are the defects (traps = sinks) ?

Could first principles calculations determine the diffusion activation energies for various mechanisms?

If one wanted to tackle a model system: suggestion is Fe-Nb-C??

Concern about surface effects

Usually coat with Pd so that bulk diffusion can be measured instead surface effects

 

Photovoltaics- CIGS need to establish microstructure evolution for various processing methods.

 

U-Mo-Al: Need more experimental information on phase diagram for this system

 

Error analysis:

Consider SIMS data; need error analysis for SIMS

Mathematical error analysis of Boltzmann-Mantano analysis (See previous work by Reed)

 

Compare first principles trends (Reed) with CALPHAD results for Ni-base alloys and Nb alloys (Questek)??

Assume constant D₀

Magnetic effects

 

Update on Anton's results on NiAl B2 results on Al-rich side

Mechanism

Prediction of D min off-stoichiometry

 

Suggestions of slow diffusers in BCC-Fe with NiAl ppt

How to treat magnetics

Possible application of Asta's MD simulations for diffusion (hydrogen)

 

Oxide diffusion (compare with Zi-Kui Al₂O₃ results?)

Evaluate contribution of mechanisms to flux

Update on model for diffusion model of O^-2

Need for the development of property data for nucleation and precipitation models (PRISMA, Precip-Calc, and PANStar PanRome)

Interfacial energies, lattice parameters, thermal expansion, etc.