Molecular static simulation of energy features of interaction between grain boundary and dislocations in Ni3Al alloy

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作者
Chen, Da [1 ]
Lu, Min [1 ]
Lin, Dongliang [1 ]
机构
[1] Shanghai Jiao Tong Univ, Shanghai, China
关键词
Boron - Computer simulation - Dislocations (crystals) - Dissociation - Ductility - Grain boundaries - Intermetallics - Segregation (metallography) - Stresses;
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摘要
The molecular static relaxation method has been used to simulate the energy features of the interaction between the grain boundary (GB) and dislocations in Ni3Al alloys. The effects of various factors, such as the GB chemistry, the dissociation type of superdislocation, the geometrical index of the GB, boron segregation and an applied stress on the energy feature of the interaction have been studied. Their relations with the mechanical behavior of the GB and mechanism responsible for boron-enhanced ductility have also been discussed.
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