Information about http://www.ctcms.nist.gov/~cecamp/spring08/Agenda-2008-rev.pdf

NIST Diffusion Workshop May 12-13, 2008 …

Tags: atomistic simulations, developing materials, diffusion coefficients, energy applications, energy conversion, first principles, fuel cladding, hydrogen diffusion, intercalation compounds, lecture room, mirsa, nevada reno, phase field, principles calculations, research workshop, solutes, thermo calc, van der ven, w kim, workshop summary,
Pages: 2
Language: english
Created: Sun May 11 21:36:41 2008
Display cached document
Page 1
image
Page 2
image
                     NIST Diffusion Workshop May 12-13, 2008
      Highlighting Diffusion Challenges Associated with Sustainable Energy Applications

Monday, May 12 Bldg. 101. Lecture Room A

8:30-9:00 Introductions and Welcome

Diffusion Challenges for Developing Materials for Sustainable Energy Applications

9:00-9:15 Brief review of previous workshops (C. Campbell)

9:15-9:45 "H Diffusion in Pd and Pd Alloy Membranes. The Role of Non-ideality" (T.
Flanagan, U. Vermont)

9:45-10:15 "Hydrogen Diffusion in Steels" (Z. Feng and L. Anovitz, ORNL)

10:15-10:45 Diffusion in CIGS (-CuInxGa1-xSe2) Photovoltaics (W. Kim, Institute of Energy
Conversion, U. Delaware)

10:45-11:15 Discussion/ Break

11:15-11:45 "U-Mo/Al Alloys Diffusion Couples : Fuel/Cladding Interactions" (Y.Sohn, UCF)

11:45-12:15 "Uncertainties in Multicomponent Diffusivities and the Determination of Long-
Term Diffusivities at Low Temperatures" (J. LaCombe, U. Nevada-Reno)

Lunch 12:30-1:30


First ­Principles

1:30-2:00 " Diffusion of Transition Metal Solutes in Nickel" (R. Reed, U. Birmingham, UK)

2:00-2:30 "First-Principles Calculations of Diffusion Coefficients in fcc, bcc and hcp" (Z. Liu,
Penn State)

2:30-3:00 "Diffusion coefficients from first principles: from intercalation compounds to complex
alloys" (A. van der Ven, U. Michigan)

3:00-3:30 "Diffusion of Substitutional Impurities in bcc Fe: First-Principles Modeling" (M.
Asta, U. California ­ Davis)

3:30-3:45 "Atomistic Simulations in Industrial Research: Workshop Summary" (C. Becker,
NIST)
3:45-4:00 Break


Modeling Applications
4:00-4:30 "Modeling of Diffusion-induced transformations in Ni superalloys (A. Mirsa,
QuesTek)

4:30-5:00 "Apply Phase Field Modeling to Real Systems by Integrating with PanEngine" (K.
Wu, CompuTherm)

5:00-5:30 "TC-PRISMA" (P. Mason, Thermo-Calc AB)

6:30 Dinner
Café Mileto
Cloppers Mill Village
18056 Mateny Road
Germantown, MD 20874



Tuesday, May 13 Bldg 223, Rm B307

8:45-9:00 Welcome

9:00-9:30 "Update on Diffusion Mobilities in Oxide Systems" (J. Ĺgren, KTH)

9:30-9:45 "Diffusion Mobilities in the Cu-In-Se system" (C. Campbell, NIST)

9:45-10:15 Discussion/ Break

10:15-10:45 Single-Phase Layer Formation in Two-Phase Diffusion Couples (J. Morral, OSU)

10:45-11:15 "Phase field Simulation of Thermotransport" (Sohn, UCF)

11:15-11:45 "Singularities in Diffusion Paths" (J. Li, U. Penn, OSU)

11:45-12:30 Discussion/Action Items

12:30 Adjourn/Lunch