Atomistic and Theoretical Insights on Nanoprecipitates-Controlled Strengthening Behavior for Optimum Mechanical Performance in Nanotwinned NiCoCr Alloys

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Abstract The nanoprecipitates and nanotwins enable to improve the mechanical performance of NiCo-based alloys. In this work, the molecular dynamics (MD) simulations are performed to investigate the strengthening mechanisms of nanotwinned medium-entropy NiCoCr alloys with various distributions and volume fractions of nanoprecipitates. MD simulations reveal that mechanical performance for the precipitates located in twin boundaries is better than that located in the twin lamellae. The precipitate-induced strengthening makes the nanotwinned NiCoCr alloys to achieve the maximum flow stress during increasing the precipitate volume fraction. The influences of volume fraction and distribution of the precipitate on winding and cutting mechanisms are analyzed comprehensively. The dislocation winding behavior, hindered twin boundaries deformation, and the adjacent precipitates connection control the precipitate strengthening mechanisms. A dislocation-based theoretical model is developed to forecast the size-dependent flow stress of nanotwinned metals with nanoprecipitates, in which the Orowan bypass mechanism and the dislocation pile-up behaviors are involved. The relationship between the microstructural size and the flow stress of nanotwinned metallic materials with nanoprecipitates is explored. The predictions for the flow stresses varied with the precipitate volume fraction are agreeable well with the results of MD simulation. The predicted maximum flow stresses and the corresponding critical volume fractions of nanoprecipitates are sensitive to the microstructural sizes.