Abstract
Molecular dynamics simulations were carried out to study the mechanical properties of Cu(0 0 1)/Ni(0 0 1) interface boundaries with different twist angles subjected to uniaxial loading. The results obtained revealed that square misfit dislocations networks can be observed when the twist angle was lower than 15.124°, and the density of misfit dislocations increased with increasing twist angle. Face defects were formed when the twist angle was higher than 15.124°. It has been found that the interface configuration had a significant effect on the interface strength of the Cu/Ni system. The yield stress was found to decrease first with increasing twist angle and it reached its lowest value at 5.906°twist angle. Subsequently, it increased with increasing twist angle till it reached its highest value at 15.124°of the latter; it then decreased again and finally became almost constant when the twist angle was larger than approximately 20°.
Original language | English |
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Pages (from-to) | 239-242 |
Number of pages | 4 |
Journal | Computational Materials Science |
Volume | 61 |
DOIs | |
Publication status | Published - Aug 2012 |
Externally published | Yes |
Keywords
- Misfit dislocation
- Molecular dynamics
- Twist boundary
- Yield stress