COMPUTATIONAL SIMULATION |
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The Contribution of Cu Precipitates to Hardening in α-Fe Matrix |
Yankun DOU,Xinfu HE,Lixia JIA,Dongjie WANG,Shi WU,Wen YANG
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Reactor Engineering Technology Research Division, China Institute of Atomic Energy, Beijing 102413 |
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Abstract The interactions between coherent Cu precipitates with different sizes (0.5—2.5 nm) and a (111){110} edge dislocation in α-Fe matrix have been investigated by molecular dynamics method (MD). Moreover, the impacts of temperatures (100—600 K) and different interaction positions for the interaction of precipitates and dislocations have been further explored. It is found that the increase of precipitates size enhances obstacle strength for dislocation glide. The reason is that the increase of precipitates diameter will increase the intercept area when dislocations pass through precipitates of different sizes. However, the rise of temperature causes the reducing of obstacle strength. By comparison, increasing precipitates diameters from 1.0 nm to 2.0 nm, critical shear stress of systems under different temperature rise by an average of 0.096 Gb/L. And when the temperature is increased from 100 K to 600 K, the critical shear stress of systems containing Cu precipitates with diameters of 1—2 nm reduces by an average of 0.049 Gb/L. The results qualitatively indicate that the effect of precipitates size plays a more important role in obstacle strength of precipitates for dislocation glide than temperature. When dislocation passes through precipitates at different sites, the precipitate whose center plane is on the dislocation glide plane is found to be the strongest obstacle. When the glide plane is the same vertically far away from the center plane of precipitates, the precipitates whose center planes are below the glide planes are stronger obstacles than those above the glide planes. The bigger contribution from the interaction between the tensile stress field below the dislocation glide plane and compressive stress field of Cu precipitate resultes in stronger hindrance for the dislocation movement.
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Published: 25 January 2018
Online: 2018-01-25
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Model diagrams of interaction of the edge dislocation and Cu precipitate:(a)periodic cell for MD simulation; (b)models of dislocation passing through Cu precipitates in different sites
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Stress-strain curves obtained for interaction between an edge dislocation, and Cu precipitates with diameter (D) in different sizes as indicated in α-Fe at 600 K (the insert is the corresponding critical shear stress)
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Schematic diagrams of interaction between edge dislocations and different sizes of Cu precipitates in α-Fe at 600 K: (a)interaction between edge dislocations and Cu precipitates (1.5 nm); (b)pinning effect of edge dislocation detachment of different sizes of Cu precipitates
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The critical stress for the interaction of dislocations and Cu precipitates with diameter of 1.0 nm,1.5 nm,2.0 nm: (a) temperature dependence of critical stress; (b) temperature and size dependence of critical stress
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The morphology of Cu precipitates after the dislocation break away and the changing of shear stress-strain curves for the interactions of dislocations and Cu precipitates in different sites in α-Fe at 600 K: (a) the morphology of 1.5 nm Cu precipitates after the dislocation break away; (b—d) stress-strain curves for the interactions of edge dislocations and Cu precipitates with diameter of 1.0 nm, 1.5 nm and 2.0 nm in different sites; (e) the corresponding critical shear stress-site curves
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