Elastic constants selection

The following options are available when Elastic constants is selected from the list of properties.

Results file: Select the CASTEP results file from which the elastic constants information will be taken. When more than one set of results is available, use the button to browse the current directory and appropriate subdirectories for results files.

Calculate: Analyzes stress-strain relationship and calculates the tensors of the elastic constants and the compliances. These results are used to produce the bulk modulus, compressibility, averaged sound velocity, elastic Debye temperature, Young modulus, Poisson ratio, Lamé constants, Vickers hardness, and universal anisotropy index. All of these properties including polycrystalline averages using Voigt, Reuss, and Hill schemes, are written to a new text document, seedname Elastic Constants.txt, in the results folder.

The empirical expressions for Vickers hardness and for fracture toughness cannot be applied if the calculated shear modulus is negative. This can happen when the calculation settings are not sufficiently accurate. In such a case, the summary report does not include the hardness or the fracture toughness.

Access methods

Menu	Modules | CASTEP | Analysis | Elastic constants
Toolbar	| Analysis | Elastic constants

See Also:

Analyzing CASTEP results
Calculating elastic constants
CASTEP Analysis dialog