This program calculates hardness and fracture toughness from elastic tensor as described in the following article:
E. Mazhnik and A. R. Oganov. A model of hardness and fracture toughness of solids. J. Appl. Phys. 126, 125109 (2019).
Please, write the symmetric 6x6 elastic tensor for the crystal structure in the Voigt notation:
Volume per atom, Å3: (only for fracture toughness)
Please, be aware that for metals, intermetallics and alloys the values of hardness are not accurate and the fracture toughness
should include the enhancement factor, which depends on the chemical bond and is not implemented by the current program.
Bulk modulus, GPa
Young's modulus, GPa
Shear modulus, GPa
Vickers Hardness, GPa
Fracture toughness, MPa m1/2
Calculation using the average values
If you don't have a full elastic tensor, but only the average values, you can use the following
form where you need to specify only 2 of 4 values – the rest are calculated using isotropic approximation.