scholarly journals Experimental validation of negative stacking fault energies in metastable face-centered cubic materials

2021 ◽  
Vol 119 (14) ◽  
pp. 141902
Author(s):  
Konstantin V. Werner ◽  
Frank Niessen ◽  
Matteo Villa ◽  
Marcel A. J. Somers
Keyword(s):  
Experimental Validation ◽  
Stacking Fault ◽  
Face Centered Cubic ◽  
Cubic Materials ◽  
Face Centered ◽  
Stacking Fault Energies

The calculation of stacking fault energies in close-packed metals

1990 ◽  
Vol 5 (10) ◽  
pp. 2107-2119 ◽  
Author(s):  
S. Crampin ◽  
K. Hampel ◽  
D. D. Vvedensky ◽  
J. M. MacLaren
Keyword(s):  
Stacking Fault ◽  
Face Centered Cubic ◽  
Electron Theory ◽  
Simple Scheme ◽  
Cubic Metals ◽  
Interface Unit ◽  
Face Centered ◽  
Experimental Values ◽  
The One ◽  
Stacking Fault Energies

The one-electron theory of metals is applied to the calculation of stacking fault energies in face-centered cubic metals. The extreme difficulties in calculating fault energies of the order of 0.01 eV/(interface unit-cell area) are overcome by applying the Force theorem and using the layer–Korringer–Kohn–Rostoker method to determine the charge density of isolated defects. A simple scheme is presented for accommodating deviations from charge neutrality inherent in this approach. The agreement between theoretical and experimental values for the stacking fault energy is generally good, with contributions localized to within three atomic planes of the fault, but suggest the quoted value for Rh is a significant overestimation.

Embedded atom calculations of unstable stacking fault energies and surface energies in intermetallics

1997 ◽  
Vol 12 (1) ◽  
pp. 93-99 ◽  
Author(s):  
D. Farkas ◽  
S. J. Zhou ◽  
C. Vailhé ◽  
B. Mutasa ◽  
J. Panova
Keyword(s):  
Antiphase Boundary ◽  
Stacking Fault ◽  
Interatomic Potentials ◽  
Face Centered Cubic ◽  
Surface Energies ◽  
Embedded Atom ◽  
Fcc Lattice ◽  
The Face ◽  
Face Centered ◽  
Stacking Fault Energies

We performed embedded atom method calculations of surface energies and unstable stacking fault energies for a series of intermetallics for which interatomic potentials of the embedded atom type have recently been developed. These results were analyzed and applied to the prediction of relative ductility of these materials using the various current theories. Series of alloys with the B2 ordered structure were studied, and the results were compared to those in pure body-centered cubic (bcc) Fe. Ordered compounds with L12 and L10 structures based on the face-centered cubic (fcc) lattice were also studied. It was found that there is a correlation between the values of the antiphase boundary (APB) energies in B2 alloys and their unstable stacking fault energies. Materials with higher APB energies tend to have higher unstable stacking fault energies, leading to an increased tendency to brittle fracture.

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