Molecular Dynamics Simulation of Dislocation-γ-Precipitate Interactions in γ’-Precipitates

Akiyuki Takahashi; Yutaro Terada

doi:10.4028/www.scientific.net/KEM.462-463.425

Paper Titles

Prediction of the Mechanical Properties of Hot-Rolled Low Carbon Steel Strips in Correlation to Chemical Compositions and Rolling Conditions
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Development of Tensile Test to Investigate Mechanical Adhesion of Thermal Oxide Scales on Hot-Rolled Steel Strips Produced Using Different Finishing Temperatures
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Application of BEM for Improving Corrosion Assessment of Public Building Stricken by Tsunami Aceh 2004
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Microstructural Behaviour Study and FEA-Based Fatigue Simulation on Parabolic Leaf Spring
p.419

Molecular Dynamics Simulation of Dislocation-γ-Precipitate Interactions in γ’-Precipitates
p.425

Stress Corrosion Cracking Analysis under Thermal Residual Stress Field Using S-FEM
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Surface Crack Mesh Generation with Factory Roof under Mixed Mode Loading Using a Tetrahedral Element
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Ductile Fracture Simulation of Pipe under Bending with Initial Defects
p.443

Influence and Sensitivity of Inertial Effect on Void Growth Behavior in Ductile Metals
p.449

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Molecular Dynamics Simulation of Dislocation-γ-Precipitate Interactions in γ’-Precipitates

Abstract:

There are clear experimental evidences of the formation of either spherical or platelet γ-precipitates inside cubic γ’-precipitates in nickel-based superalloys, which strengthen the mechanical property of the alloy. In this work, molecular statics (MS) and dynamics (MD) simulations of the interaction between a super edge dislocation and a γ-precipitate in γ’-precipitates were performed. The strengthening mechanism was then investigated by comparing the simulation results with the theoretical prediction. As the result, it could be found that the critical resolved shear stress (CRSS) of the interaction has a strong dependence on the shape of the γ-precipitate, and could be well predicted by the theory of precipitation strengthening. Especially, the stacking-fault, chemical, coherency and interface strengthening play a major role in determining the CRSS. Finally, the interaction under a finite temperature was simulated using the MD simulations. It was found that the influence of temperature on the interaction is negligibly small.