Applications of Ab Initio Modeling to Materials Science: Grain Boundary Cohesion and Solid State Diffusion Page: 3 of 39
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Background
. I. Grain boundary
cohesion
. Metallurgical
understanding
. Account for multiple
elements
. Effect of H concentration
. Mechanisms of
embrittlement
. He embrittlement
. SCC resistanceMedea User's Group Meeting, Orcas Island, WA, June 17-20, 2004
" II. Solid State
Bulk
Diffusion
. Work of Wolverton et a.
. Proof of principle for H in
nickel. Determination of Do and
from first principlesQ
. H diffusion in HCP Ti and
Zr
. H diffusion in FCC Fe -
effect of lattice parameter2
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Young, George A.; Najafabadi, Reza; Strohmayer, Walter; Vollmer, James; Thompson, Charles; Hamm, William et al. Applications of Ab Initio Modeling to Materials Science: Grain Boundary Cohesion and Solid State Diffusion, report, May 27, 2004; Schenectady, New York. (https://digital.library.unt.edu/ark:/67531/metadc785567/m1/3/: accessed April 19, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT Libraries Government Documents Department.