scholarly journals Atomistic simulation study on key factors dominating dislocation nucleation from a crack tip in two FCC materials: Cu and Al

2012 ◽  
Vol 49 (23-24) ◽  
pp. 3345-3354 ◽  
Author(s):  
Y. Cheng ◽  
M.X. Shi ◽  
Y.W. Zhang
Keyword(s):  
Simulation Study ◽  
Atomistic Simulation ◽  
Crack Tip ◽  
Dislocation Nucleation ◽  
Key Factors ◽  
Fcc Materials

Atomistic simulation of dislocation nucleation and motion from a crack tip

1997 ◽  
Vol 45 (12) ◽  
pp. 4993-5003 ◽  
Author(s):  
F. Cleri ◽  
D. Wolf ◽  
S. Yip ◽  
S.R. Phillpot
Keyword(s):  
Atomistic Simulation ◽  
Crack Tip ◽  
Dislocation Nucleation

scholarly journals 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

2019 ◽  
Vol 6 (7) ◽  
pp. 190441 ◽  
Author(s):  
Dianwu Wang ◽  
Chongyu Wang ◽  
Tao Yu
Keyword(s):  
Activation Energy ◽  
Atomistic Simulation ◽  
Crack Tip ◽  
Dislocation Nucleation ◽  
Nucleation Process ◽  
Energy Landscapes ◽  
Alloying Element ◽  
Cleavage Process ◽  
Alloying Effects ◽  
Dynamics Method

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.

Effect of Re on dislocation nucleation from crack tip in Ni by atomistic simulation

2015 ◽  
Vol 97 ◽  
pp. 127-135 ◽  
Author(s):  
Zheng-Guang Liu ◽  
Chong-Yu Wang ◽  
Tao Yu
Keyword(s):  
Atomistic Simulation ◽  
Crack Tip ◽  
Dislocation Nucleation

Computational design of V-CoCrFeMnNi high-entropy alloys: An atomistic simulation study

Calphad ◽  
2021 ◽  
Vol 74 ◽  
pp. 102317
Author(s):  
Won-Mi Choi ◽  
Jin-Soo Kim ◽  
Won-Seok Ko ◽  
Dong Geun Kim ◽  
Yong Hee Jo ◽  
...  
Keyword(s):  
Simulation Study ◽  
Atomistic Simulation ◽  
Computational Design ◽  
High Entropy Alloys ◽  
High Entropy
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