Erratum: First-principles study of grain boundary sliding in α-Al2O3[Phys. Rev. B75, 184109 (2007)]

2011 ◽  
Vol 84 (5) ◽  
Author(s):  
Kaoru Nakamura ◽  
Teruyasu Mizoguchi ◽  
Naoya Shibata ◽  
Katsuyuki Matsunaga ◽  
Takahisa Yamamoto ◽  
...  
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Grain Boundary Sliding ◽  
First Principles Study ◽  
Boundary Sliding ◽  
Α Al2o3

First-principles study of grain boundary sliding inα−Al2O3

2007 ◽  
Vol 75 (18) ◽  
Author(s):  
Kaoru Nakamura ◽  
Teruyasu Mizoguchi ◽  
Naoya Shibata ◽  
Katsuyuki Matsunaga ◽  
Takahisa Yamamoto ◽  
...  
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Grain Boundary Sliding ◽  
First Principles Study ◽  
Boundary Sliding

Fast hydrogen diffusion along the Σ7 grain boundary of α-Al2O3: A first-principles study

2016 ◽  
Vol 41 (47) ◽  
pp. 22214-22220 ◽  
Author(s):  
Fei Wang ◽  
Wensheng Lai ◽  
Rusong Li ◽  
Bin He ◽  
Sufen Li
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Hydrogen Diffusion ◽  
First Principles Study ◽  
Α Al2o3

First-Principles Calculations of Grain Boundary-Surface for Various Grain Boundaries with Different Energies in Aluminum

2007 ◽  
Vol 551-552 ◽  
pp. 331-336 ◽  
Author(s):  
Tokuteru Uesugi ◽  
Y. Inoue ◽  
Yorinobu Takigawa ◽  
Kenji Higashi
Keyword(s):  
Shear Strength ◽  
Grain Boundary ◽  
First Principles ◽  
Boundary Surface ◽  
Grain Boundary Sliding ◽  
Excess Energy ◽  
First Principles Calculations ◽  
Perfect Single Crystal ◽  
Boundary Sliding ◽  
The Ideal

The grain boundary surface is the excess energy of the grain boundary as the lattice on one side of the grain is translated relative to the lattice on the other side of the grain. The maximum in the slope of the grain boundary surface determines the ideal shear strength for the grain boundary sliding. We presented the ideal shear strength for the grain boundary sliding in aluminum Σ3(11 2)[110] tilt grain boundary from the first-principles calculations. The ideal shear strength for the grain boundary sliding was much smaller than the ideal shear strength of a perfect single crystal.

First Principles Simulation of Grain Boundary Sliding

1996 ◽  
Vol 76 (8) ◽  
pp. 1284-1287 ◽  
Author(s):  
C. Molteni ◽  
G. P. Francis ◽  
M. C. Payne ◽  
V. Heine
Keyword(s):  
Grain Boundary ◽  
First Principles ◽  
Grain Boundary Sliding ◽  
Boundary Sliding
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