Molecular dynamics study of mosaic structure in the Ni-based single-crystal superalloy
Zhu Tao(朱弢)a)c)† and Wang Chong-Yu(王崇愚)a)b)
a Central Iron and Steel Research Institute, Beijing 100081, Chinab Department of Physics, Tsinghua University, Beijing 100084, China; c Jinan Iron and Steel Group Corporation, Jinan 250101, China
Abstract The mosaic structure in a Ni-based single-crystal superalloy is simulated by molecular dynamics using a potential employed in a modified analytic embedded atom method. From the calculated results we find that a closed three-dimensional misfit dislocation network, with index of $\langle 011\rangle${100} and the side length of the mesh 89.6?, is formed around a cuboidal $\gamma '$ precipitate. Comparing the simulation results of the different mosaic models, we find that the side length of the mesh only depends on the lattice parameters of the $\gamma $ and $\gamma '$ phases as well as the $\gamma $/$\gamma '$ interface direction, but is independent of the size and number of the cuboidal $\gamma '$ precipitate. The density of dislocations is inversely proportional to the size of the cuboidal $\gamma '$ precipitate, i.e.~the amount of the dislocation is proportional to the total area of the $\gamma $/$\gamma '$ interface, which may be used to explain the relation between the amount of the fine $\gamma '$ particles and the creep rupture life of the superalloy. In addition, the closed three-dimensional networks assembled with the misfit dislocations can play a significant role in improving the mechanical properties of superalloys.
Received: 10 April 2006
Revised: 29 May 2006
Accepted manuscript online:
Fund: Project supported by the State Key Development Program for Basic Research of China (Grant No
G2000067102) and the National Natural Science Foundation of China (Grant No 90101004).
Cite this article:
Zhu Tao(朱弢) and Wang Chong-Yu(王崇愚) Molecular dynamics study of mosaic structure in the Ni-based single-crystal superalloy 2006 Chinese Physics 15 2087
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