Abstract Molecular dynamics (MD) simulations are carried out to investigate the effects of the type and spacing of FCC/BCC interfaces on the deformation and spall behavior. The simulations are carried out using model Cu/Ta multilayers with six different types of interfaces. The results suggest that interface type can significantly affect the structure and intensity of the incoming shock wave, change the activated slip systems, alter dislocation slip and twinning behavior, affect where and how voids are nucleated during spallation and the resulting spall strength. Moreover, the above aspects are significantly affected by the interface spacing. A transition from homogeneous to heterogeneous dislocation nucleation occurs as the interface spacing is decreased to 6 nm. Depending on interface type and spacing, damage (voids) nucleation and spall failure is observed to occur not only at the Cu/Ta interfaces, but also in the weaker Cu layer interior, or even in the stronger Ta layer interior, although different mechanisms underlie each of these three distinct failure modes. These findings point to the fact that, depending on the combination of interface type and spacing, interfaces can lead to both strengthening and weakening of the Cu/Ta multilayered microstructures.
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Dislocation mechanisms in strengthening and softening of nanotwinned materials
Twin boundary (TB) strengthening in nanotwinned metals experiences a breakdown below a critical spacing at which softening takes over. Here, we survey a range of nanotwinned materials that possess different stacking fault energies (SFEs) and understand the TB strengthening limit using atomistic simulations. Distinct from Cu and Al, the nanotwinned, ultralow SFE materials (Co, NiCoCr, and NiCoCrFeMn) intriguingly exhibit a continuous strengthening down to a twin thickness of 0.63 nm. Examining dislocation slip mode and deformation microstructure, we find the hard dislocation modes persist even when reducing the twin boundary spacing to a nanometer regime. Meanwhile, the soft dislocation mode, which causes detwinning in Cu and Al, results in phase transformation and lamellar structure formation in Co, NiCoCr, and NiCoCrFeMn. This study, providing an enhanced understanding of dislocation mechanism in nanotwinned materials, demonstrates the potential for controlling mechanical behavior and ultimate strength with broadly tunable composition and SFE, especially in multi-principal element alloys.
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- Award ID(s):
- 2105328
- PAR ID:
- 10407634
- Date Published:
- Journal Name:
- Journal of Applied Physics
- Volume:
- 133
- Issue:
- 5
- ISSN:
- 0021-8979
- Page Range / eLocation ID:
- 055106
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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