Effect of H impurity on misfit dislocation in Ni-based single-crystal superalloy： molecular dynamic simulations

The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effec...

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Bibliographic Details
Published in:Chinese physics B 2012-02, Vol.21 (2), p.407-412
Main Author: 于涛 谢红献 王崇愚
Format: Article
Language:English
Subjects:
Dislocations
Glide
Impurities
Intermetallics
Ni3Al
Nickel
Nickel aluminides
Simulation
Single crystals
Superalloys
仿真结果
分子动力学模拟
力学性能
失配位错
杂质对
镍基单晶高温合金
镍基高温合金
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Summary:The effect of H impurity on the misfit dislocation in Ni-based single-crystal superalloy is investigated using the molecular dynamic simulation. It includes the site preferences of H impurity in single crystals Ni and Ni3Al, the interaction between H impurity and the misfit dislocation and the effect of H impurity on the moving misfit dislocation. The calculated energies and simulation results show that the misfit dislocation attracts H impurity which is located at the γ/γ′ interface and Ni3Al and H impurity on the glide plane can obstruct the glide of misfit dislocation, which is beneficial to improving the mechanical properties of Ni based superalloys.
ISSN:1674-1056
2058-3834
1741-4199
DOI:10.1088/1674-1056/21/2/026104