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Effects of Re, W and Co on dislocation nucleation at the crack tip in the γ-phase of Ni-based single-crystal superalloys by atomistic simulation
- Source :
- Royal Society Open Science, Vol 6, Iss 7 (2019), Royal Society Open Science
- Publication Year :
- 2019
- Publisher :
- The Royal Society, 2019.
-
Abstract
- The effects of Re, W and Co on dislocation nucleation at the crack tip in Ni have been studied by the molecular dynamics method. The results show that the activation energy of dislocation nucleation is lowered by the addition of Re, W and Co; moreover, the activation energy decreases when the alloying element increases from 1 at.% to 2 at.%. The energy landscapes of the atoms are studied to elucidate these effects. Quantification analyses of the bonding strength between Ni and X (X = Re, W or Co) reveal that strong bonding between Ni and X (X = Re, W or Co) in the dislocation nucleation process can suppress the cleavage process and enhance the ability of dislocation nucleation. The surface energy and unstable stacking fault energy are also calculated to understand the alloying effects on the dislocation nucleation process. The results imply that interaction between alloying elements and Ni atoms plays a role in promoting the dislocation nucleation process at the crack tip. The ability of Re, W and Co in improving the ductility of the Ni crack system is in the order W > Re > Co. The results could provide useful information in the design of Ni-based superalloys.
- Subjects :
- Materials science
Nucleation
Thermodynamics
02 engineering and technology
Activation energy
01 natural sciences
dislocation nucleation
Molecular dynamics
Condensed Matter::Materials Science
Phase (matter)
0103 physical sciences
alloying effects
crack tip
lcsh:Science
010302 applied physics
Multidisciplinary
021001 nanoscience & nanotechnology
Superalloy
Chemistry
lcsh:Q
Dislocation
0210 nano-technology
Single crystal
atomistic simulation
Research Article
ni-based superalloys
Subjects
Details
- Language :
- English
- ISSN :
- 20545703
- Volume :
- 6
- Issue :
- 7
- Database :
- OpenAIRE
- Journal :
- Royal Society Open Science
- Accession number :
- edsair.doi.dedup.....d459d8d8c2bc7fc731d762b557c20b6d