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<br> # 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.1. KQJ-Alconcentration-NiAl_experiment.csv：分号分隔的ASCII格式文件，存储非化学计量比B2型镍铝（NiAl）的相关数据：以铝浓度为自变量（第一列），第二列为断裂韧性，第三列为塑性变形对断裂韧性的贡献，实验数据通过带缺口悬臂梁的微力学测试获得。 2. KIc-Alconcentration-NiAl_static-simulations.dat：空格分隔的ASCII格式文件，存储不同铝浓度（第一列）下B2型镍铝的断裂韧性（K_Ic，第二列），数据基于G. P. P. Pun与Y. Mishin提出的原子间势函数（Phil. Mag. 89 (34-36) (2009) 3245–3267），通过静态原子模拟计算得到。 3. NiAl_Pun_conc_0.40-0.65Ni_Esurf110_Cij.dat：空格分隔的ASCII格式文件，存储不同镍浓度（第一列）下B2型镍铝的{110}晶面表面能（第二列）与弹性常数（第三至第五列），数据基于G. P. P. Pun与Y. Mishin提出的原子间势函数（Phil. Mag. 89 (34-36) (2009) 3245–3267），通过原子模拟计算获得。 4. KIc-Alconcentration-NiAl_theory.dat：空格分隔的ASCII格式文件，存储不同铝浓度（第一列）下B2型镍铝的断裂韧性（K_Ic，第二列），数据通过格里菲斯（Griffith）断裂准则方程计算得到。