Fracture Toughness of Off-Stoichiometric B2 NiAl as determined by micromechanical tests and atomistic simulations

KQJ-Alconcentration-NiAl_experiment.csv : semicolon-separated ASCII file containing the fracture toughness (2nd column) and the contribution of the plastic deformation to the fracture toughness (3rd column) as function of Al concentration (1st column)  for off-stoichiometric B2 NiAl as determined by micro mechanical tests on notched cantilever beams.

KIc-Alconcentration-NiAl_static-simulations.dat :  space-separated ASCII file containing the fracture toughness (K_Ic) of B2 NiAl (2nd column) for different Al concentrations (first column) as as determined by static atomistic calculations with the
# Potential by G. P. P. Pun, Y. Mishin, (Phil. Mag. 89 (34-36) (2009) 3245– 3267).

NiAl_Pun_conc_0.40-0.65Ni_Esurf110_Cij.dat : space-separated ASCII file containing the energy of {110} surfaces (2nd column) and elastic constants (columns 3-5) of B2 NiAl for different Ni concentrations (f1st column) as determined by atomistic simulations using the the potential by G. P. P. Pun, Y. Mishin, (Phil. Mag. 89 (34-36) (2009) 3245– 3267)

KIc-Alconcentration-NiAl_theory.dat : space-separated ASCII file containing the fracture toughness (K_Ic) of B2 NiAl (2nd column) for different Al concentrations (1st column) as calculated by the Griffith equation.