Ab initio calculations of the generalized stacking fault energy in aluminium alloys

2011 ◽  
Vol 64 (9) ◽  
pp. 916-918 ◽  
Author(s):  
M. Muzyk ◽  
Z. Pakiela ◽  
K.J. Kurzydlowski
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Aluminium Alloys ◽  
Stacking Fault ◽  
Stacking Fault Energy ◽  
Generalized Stacking Fault ◽  
Generalized Stacking Fault Energy

scholarly journals Generalized stacking fault energy of carbon-alloyed paramagnetic $ \gamma $ -Fe

2018 ◽  
Vol 31 (6) ◽  
pp. 065703
Author(s):  
Ruiwen Xie ◽  
Wei Li ◽  
Song Lu ◽  
Yan Song ◽  
Levente Vitos
Keyword(s):  
Stacking Fault ◽  
Stacking Fault Energy ◽  
Generalized Stacking Fault ◽  
Generalized Stacking Fault Energy

THE MULTISCALE MODEL COMBINING ELASTIC THEORY WITH AB INITIO CALCULATIONS FOR METAL–CERAMIC INTERFACES

2008 ◽  
Vol 22 (32) ◽  
pp. 3135-3143 ◽  
Author(s):  
YING ZHANG ◽  
YUGUI YAO
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Multiscale Model ◽  
Input Function ◽  
Elastic Theory ◽  
Model Combining ◽  
Modeling Techniques ◽  
Generalized Stacking Fault ◽  
Ceramic Interfaces ◽  
Generalized Stacking Fault Energy

The generalized two-dimensional Peierls–Nabarro (PN) model7 for studying interfaces is developed further, where an exact generalized stacking fault energy γ-surface obtained from ab initio calculations acts as an input function for the generalized PN model. Using the multiscale modeling techniques, which combines elastic theory with ab initio calculations, the structure and energy of the Al/MgO (100) interface are studied, and the effectiveness of this method is demonstrated.

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