Environmental Engineering Reference
In-Depth Information
Table 11. Comparison of surface energies of hcp metals among the predicted values
γ
sv0
of Eq. (4.3), the FCD calculations
γ′
sv0
[116] and the experimental results
γ′′
sv0
[114-115]
E
b
(kJ/g-atom)
a
(nm)
γ
sv0
(J/m
2
)
γ′
sv0
(J/m
2
)
γ′′
sv0
(J/m
2
)
(
h k i l
)
Be
320
0.222
(0001)
(10
1
0)
2.40
2.88
1.83
2.13
1.63,
2.70
Mg
145
0.320
(0001)
(10
1
0)
0.53
0.65
0.79
0.78
0.79,
0.76
Zn
130
0.268
(
c
/
a
=1.86)
(0001)
(10
−
0.66
0.72
0.99
0.99,
0.99
1
0)
Cd
112
0.306
(
c
/
a
=1.89)
(0001)
(10
1
0)
0.44
0.47
0.59
0.76,
0.74
Tl
182
0.371
(0001)
(10
1
0)
0.49
0.60
0.30
0.35
0.60,
0.58
Sc
376
0.330
(0001)
(10
−
1.25
1.53
1.83
1.53
1.28
1
0)
Ti
468
0.295
(0001)
(10
1
0)
1.96
2.39
2.63
2.52
1.99,
2.10
Co
424
0.253
(0001)
(10
−
2.42
2.95
2.78
3.04
2.52,
2.55
1
0)
1.13
Y
422
0.355
(0001)
(10
−
1.22
1.49
1.51
1.24
1
0)
Zr
603
0.325
(0001)
(10
1
0)
2.08
2.54
2.26
2.11
1.91,
2.00
3.15
Tc
661
0.274
(0001)
(10
−
3.22
3.93
3.69
3.90
1
0)
Ru
650
0.272
(0001)
(10
−
3.20
3.90
3.93
4.24
3.04,
3.05
1
0)
La
*
431
0.387
(0001)
(10
1
0)
1.05
1.28
1.12
0.92
1.02
Lu
428
0.351
(0001)
(10
−
1.27
1.55
1.60
1.42
1.23
1
0)
Hf
621
0.320
(0001)
(10
−
2.22
2.71
2.47
2.31
2.19,
2.15
1
0)
Re
775
0.276
(0001)
(10
1
0)
3.72
4.54
4.21
4.63
3.63,
3.60
Os
788
0.275
(0001)
(10
−
3.80
4.64
4.57
5.02
3.44,
3.45
1
0)
c
/
a
ratios of Zn and Cd are cited from Ref. [116]. In FCD calculations, hcp structure has two (10
1
0) surfaces
depending on the first interlayer distance
d
, (10
1
0)
A
refers to the surface with
d
A
= 0.29
a
while (10
1
0)
B
denotes the surface with
d
B
= 2
d
A
. Here the results for (10
−
1
0)
A
surface are present.
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