Skip to content

Number of independent elastic tensors in trigonal and tetragonal lattice systems #74

@goodwilling

Description

@goodwilling

Elastic is a very convenient tool for calculating elastic constants of crystals.
Thanks a lot for the continuous development.

I would like to bring the following points into attention if not discussed yet.

In the Elastic code, the number of independent elastic tensors is taken as 6
for trigonal and tetragonal lattice systems.

On the other hand, it is stated that the number of independent elastic tensors
can be either 6 or 7 for trigonal and tetragonal lattice systems due to different
symmetries.

Elasticity measurements on minerals: A review
European Journal of Mineralogy 21(3), June 2009
DOI: https://doi.org/10.1127/0935-1221/2009/0021-1925
https://web.gps.caltech.edu/~jackson/pdf/Angel2009_EJM.pdf

also:
https://github.com/libAtoms/matscipy/blob/master/matscipy/elasticity.py

'trigonal_high': np.array([[1, 7, 8, 9, 10, 0],
[7, 1, 8, 0,-9, 0],
[8, 8, 3, 0, 0, 0],
[9, -9, 0, 4, 0, 0],
[10, 0, 0, 0, 4, 0],
[0, 0, 0, 0, 0, 6]]),

'trigonal_low': np.array([[1, 7, 8, 9, 10, 0 ],
[7, 1, 8, -9, -10, 0 ],
[8, 8, 3, 0, 0, 0 ],
[9, -9, 0, 4, 0, -10],
[10,-10, 0, 0, 4, 9 ],
[0, 0, 0, -10 , 9, 6 ]]),

'tetragonal_high': np.array([[1, 7, 8, 0, 0, 0],
[7, 1, 8, 0, 0, 0],
[8, 8, 3, 0, 0, 0],
[0, 0, 0, 4, 0, 0],
[0, 0, 0, 0, 4, 0],
[0, 0, 0, 0, 0, 6]]),

'tetragonal_low': np.array([[1, 7, 8, 0, 0, 11],
[7, 1, 8, 0, 0, -11],
[8, 8, 3, 0, 0, 0],
[0, 0, 0, 4, 0, 0],
[0, 0, 0, 0, 4, 0],
[11, -11, 0, 0, 0, 6]])

Metadata

Metadata

Assignees

Labels

No labels
No labels

Projects

No projects

Milestone

No milestone

Relationships

None yet

Development

No branches or pull requests

Issue actions