Environmental Engineering Reference
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Table 10. Comparison of surface energies of crystals in bcc, sc and diamond structures
among the predicted values γ sv0 based on Eq. (4.5), 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 l )
158
0.399
(110)
(100)
(111)
0.50
0.58
0.72
0.56
0.52
0.59
0.52,
0.53
Li
107
0.420
(110)
(100)
(111)
0.29
0.34
0.41
0.25
0.26
0.29
0.26,
0.26
Na
90.1
0.530
(110)
(100)
(111)
0.16
0.18
0.23
0.14
0.14
0.15
0.13,
0.15
K
82.2
0.571
(110)
(100)
(111)
0.12
0.15
0.18
0.10
0.11
0.12
0.12,
0.11
Rb
77.6
0.626
(110)
(100)
(111)
0.10
0.12
0.14
0.08
0.09
0.09
0.10,
0.10
Cs
183
0.503
(110)
(100)
(111)
0.36
0.41
0.51
0.38
0.35
0.40
0.38,
0.37
Ba
160
0.537
(110)
(100)
(111)
0.27
0.32
0.40
0.30
0.29
0.32
Ra
179
0.458
(110)
(100)
(111)
0.43
0.50
0.61
0.49
0.46
0.52
0.45,
0.45
Eu
512
0.302
(110)
(100)
(111)
2.74
3.26
4.04
3.26
3.03
3.54
2.62,
2.56
V
395
0.285
(110)
(100)
(111)
2.39
2.83
3.50
3.51
3.98
4.12
2.35,
2.30
Cr *
413
0.286
(110)
(100)
(111)
2.52
2.92
3.62
2.43
2.22
2.73
2.42,
2.48
Fe
730
0.376
(110)
(100)
(111)
2.58
2.99
3.72
2.69
2.86
3.05
2.66,
2.70
Nb
658
0.317
(110)
(100)
(111)
3.20
3.81
4.62
3.45
3.84
3.74
2.91,
3.00
Mo
782
0.335
(110)
(100)
(111)
3.40
4.05
5.01
3.08
3.10
3.46
2.90,
3.15
Ta
859
0.358
(110)
(100)
(111)
3.36
3.90
4.84
4.01
4.64
4.45
3.27,
3.68
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