Simulations of Bulk Effects of Zr on Cohesion of Ni<SUB>3</SUB>Al Grain Boundary

ZHENG Li-ping; LI Dou-xing; ZHANG Xiu-rong

doi:10.11804/NuclPhysRev.22.01.106

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ZHENG Li-ping, LI Dou-xing, ZHANG Xiu-rong. Simulations of Bulk Effects of Zr on Cohesion of Ni3Al Grain Boundary[J]. Nuclear Physics Review, 2005, 22(1): 106-109. doi: 10.11804/NuclPhysRev.22.01.106

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ZHENG Li-ping, LI Dou-xing, ZHANG Xiu-rong. Simulations of Bulk Effects of Zr on Cohesion of Ni₃Al Grain Boundary[J]. Nuclear Physics Review, 2005, 22(1): 106-109. doi: 10.11804/NuclPhysRev.22.01.106

Simulations of Bulk Effects of Zr on Cohesion of Ni₃Al Grain Boundary

doi: 10.11804/NuclPhysRev.22.01.106

1 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; 2 International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016, China; 3 Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; 4 Departement of Mathematics and Physics, East China Shipbuilding Institute, Zhenjiang, 212003, Jiangsu, China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2005-03-20

Abstract

Monte Carlo simulation with the energetics described by the embedded atom method has been employed to calculate dependence of the grain boundary cohesion on the Zr bulk atom concentration, for the Ni3Alx % Zr (100%Ni\\100%Ni)\[001\]/Σ5(210)/36.87° symmetric tilt grain boundary, at the equilibrium. Calculations show that when x (the Zr bulk atom concentration) increases from 0.1 to 0.5, the Zr enrichment increases, both the Ni enrichment and the Al depletion maximizes at x=0.3. The calculations also show the best cohesion of the grain boundary at x=0.3.
- grain boundary concentration,
- inducing and segregating specie,
- bulk effect
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通讯作者: 陈斌, bchen63@163.com

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沈阳化工大学材料科学与工程学院沈阳 110142

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Simulations of Bulk Effects of Zr on Cohesion of Ni₃Al Grain Boundary

doi: 10.11804/NuclPhysRev.22.01.106

1 Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China; 2 International Centre for Material Physics, Chinese Academy of Sciences, Shenyang 110016, China; 3 Shenyang National Laboratory for Materials Sciences, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China; 4 Departement of Mathematics and Physics, East China Shipbuilding Institute, Zhenjiang, 212003, Jiangsu, China

Received Date: 1900-01-01
Rev Recd Date: 1900-01-01
Publish Date: 2005-03-20

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Abstract: Monte Carlo simulation with the energetics described by the embedded atom method has been employed to calculate dependence of the grain boundary cohesion on the Zr bulk atom concentration, for the Ni3Alx % Zr (100%Ni\\100%Ni)\[001\]/Σ5(210)/36.87° symmetric tilt grain boundary, at the equilibrium. Calculations show that when x (the Zr bulk atom concentration) increases from 0.1 to 0.5, the Zr enrichment increases, both the Ni enrichment and the Al depletion maximizes at x=0.3. The calculations also show the best cohesion of the grain boundary at x=0.3.

ZHENG Li-ping, LI Dou-xing, ZHANG Xiu-rong. Simulations of Bulk Effects of Zr on Cohesion of Ni3Al Grain Boundary[J]. Nuclear Physics Review, 2005, 22(1): 106-109. doi: 10.11804/NuclPhysRev.22.01.106

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