Acta Metallurgica Sinica (English Letters) ›› 2015, Vol. 28 ›› Issue (5): 634-640.DOI: 10.1007/s40195-015-0242-8
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Yong-Kun Luo(), Rong-Shan Qin()
Received:
2014-10-21
Revised:
2014-11-27
Online:
2015-02-24
Published:
2015-07-23
Yong-Kun Luo, Rong-Shan Qin. Computation of Five-Dimensional Grain Boundary Energy[J]. Acta Metallurgica Sinica (English Letters), 2015, 28(5): 634-640.
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Metal | a(10 -10 m) | ϕ b 1 (eV) | ϕ b 2 /ϕ b 2 ϕ b 1 ϕ b 1 | ϕ b 3 /ϕ b 3 ϕ b 1 ϕ b 1 | ϕ b 4 /ϕ b 4 ϕ b 1 ϕ b 1 | ∑b 1d | ∑b 2d | ∑b 3d |
---|---|---|---|---|---|---|---|---|
Ni | 3.524 | 0.2249 | 0.434 | 0.175 | 0.078 | |||
Cu | 3.615 | 0.1794 | 0.424 | 0.168 | 0.073 | a[ | ||
Au | 4.079 | 0.2348 | 0.301 | 0.087 | 0.028 | a[ | ||
Ag | 4.086 | 0.1673 | 0.359 | 0.122 | 0.046 | a[ | a[ | a[ |
Pt | 3.924 | 0.3514 | 0.318 | 0.097 | 0.032 | a[ | ||
Pd | 3.891 | 0.2334 | 0.320 | 0.098 | 0.033 | a[ | ||
Pb | 4.951 | 0.1213 | 0.323 | 0.100 | 0.034 |
Table 1 List of parameters used in Eq. (1)
Metal | a(10 -10 m) | ϕ b 1 (eV) | ϕ b 2 /ϕ b 2 ϕ b 1 ϕ b 1 | ϕ b 3 /ϕ b 3 ϕ b 1 ϕ b 1 | ϕ b 4 /ϕ b 4 ϕ b 1 ϕ b 1 | ∑b 1d | ∑b 2d | ∑b 3d |
---|---|---|---|---|---|---|---|---|
Ni | 3.524 | 0.2249 | 0.434 | 0.175 | 0.078 | |||
Cu | 3.615 | 0.1794 | 0.424 | 0.168 | 0.073 | a[ | ||
Au | 4.079 | 0.2348 | 0.301 | 0.087 | 0.028 | a[ | ||
Ag | 4.086 | 0.1673 | 0.359 | 0.122 | 0.046 | a[ | a[ | a[ |
Pt | 3.924 | 0.3514 | 0.318 | 0.097 | 0.032 | a[ | ||
Pd | 3.891 | 0.2334 | 0.320 | 0.098 | 0.033 | a[ | ||
Pb | 4.951 | 0.1213 | 0.323 | 0.100 | 0.034 |
Coincidence site lattice (CSL) notation | Axis-angle pair notation | Coordinate transformation matrix (YJX) |
---|---|---|
∑3 | ?111?60 ° | ? ? 0.667 -0.333 0.667 0.667 0.667 -0.333 -0.333 0.667 0.667 ? ? |
∑5 | ?100?36.86 ° | ? ? 1 0 0 0 0.8 -0.6 0 0.6 0.8 ? ? |
∑7 | ?111?38.21 ° | ? ? 0.857 -0.286 0.429 0.429 0.857 -0.286 -0.286 0.429 0.857 ? ? |
∑9 | ?110?38.94 ° | ? ? 0.889 0.111 0.444 0.111 0.889 -0.444 -0.444 0.444 0.778 ? ? |
∑11 | ?110?50.47 ° | ? ? 0.818 0.182 0.545 0.182 0.818 -0.545 -0.545 0.545 0.636 ? ? |
∑17b | ?221?61.9 ° | ? ? 0.894 0.029 1 0.818 0.894 -0.577 -0.577 1 0.577 ? ? |
∑31a | ?111?17.9 ° | ? ? 0.968 -0.161 0.194 0.194 0.968 -0.161 -0.161 0.194 0.968 ? ? |
Table 2 List of the studied coordinate transformation matrices (YJX) together with their equivalent CSL and axis-angle pair notations
Coincidence site lattice (CSL) notation | Axis-angle pair notation | Coordinate transformation matrix (YJX) |
---|---|---|
∑3 | ?111?60 ° | ? ? 0.667 -0.333 0.667 0.667 0.667 -0.333 -0.333 0.667 0.667 ? ? |
∑5 | ?100?36.86 ° | ? ? 1 0 0 0 0.8 -0.6 0 0.6 0.8 ? ? |
∑7 | ?111?38.21 ° | ? ? 0.857 -0.286 0.429 0.429 0.857 -0.286 -0.286 0.429 0.857 ? ? |
∑9 | ?110?38.94 ° | ? ? 0.889 0.111 0.444 0.111 0.889 -0.444 -0.444 0.444 0.778 ? ? |
∑11 | ?110?50.47 ° | ? ? 0.818 0.182 0.545 0.182 0.818 -0.545 -0.545 0.545 0.636 ? ? |
∑17b | ?221?61.9 ° | ? ? 0.894 0.029 1 0.818 0.894 -0.577 -0.577 1 0.577 ? ? |
∑31a | ?111?17.9 ° | ? ? 0.968 -0.161 0.194 0.194 0.968 -0.161 -0.161 0.194 0.968 ? ? |
Fig. 1 The corresponding northern stereo projections of Ni grain boundaries with a ?111?60° ∑3 OR, b ?100?36.86° ∑5 OR, c ∑7 OR and d ?110?38.94° ∑9 OR (the plots are viewed along the [001] axis; energy (J/m2) is dyed from blue to red in ascending order)
Fig. 2 The corresponding northern stereo projections of Ni grain boundaries with a ?110?50.47° ∑11 OR, b ?221?61.9° ∑17b OR and c ?111?17.9° ∑31a OR (the plots are viewed along the [001] axis; energy (J/m2) is dyed from blue to red in ascending order)
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