Table 6 Calculated lattice parameters and elastic constants (in GPa) in Voigt notation

From: Multiscale modeling of metal-hydride interphases—quantification of decoupled chemo-mechanical energies

 

α-FeTi (tetragonal)

β-FeTiH (orthorhombic)

a[Ă…]

4.176

4.560

b[Ă…]

4.176

4.265

c[Ă…]

2.953

2.903

c11

306.0

313.0

c22

306.0

302.2

c33

379.5

360.0

c44

148.3

86.3

c55

75.0

63.4

c66

75.0

74.5

c12

165.0

173.3

c13

106.5

82.8

c23

106.5

99.6

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