ELATE: Elastic tensor analysis
Welcome to ELATE, the online tool for analysis of elastic tensors, developed by Romain Gaillac and François-Xavier Coudert at CNRS / Chimie
ParisTech.
If you use the software in published results (paper, conference, etc.), please cite the corresponding paper (J. Phys. Condens. Matter, 2016, 28, 275201) and give the
website URL.
ELATE is open source software. Any queries or comments are welcome at
Summary of the properties
Input: stiffness matrix (coefficients in GPa) of ThSi2 (Materials Project id mp-7497)
145 93 72 0 0 0 93 145 72 0 0 0 72 72 195 0 0 0 0 0 0 78 0 0 0 0 0 0 78 0 0 0 0 0 0 26
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 106.56 GPa | EV = 136.24 GPa | GV = 52.933 GPa | νV = 0.2869 |
Reuss | KR = 106.01 GPa | ER = 110.27 GPa | GR = 41.562 GPa | νR = 0.32662 |
Hill | KH = 106.28 GPa | EH = 123.45 GPa | GH = 47.248 GPa | νH = 0.30641 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
26 GPa | 52 GPa | 78 GPa | 78 GPa | 112.43 GPa | 320.57 GPa |
Variations of the elastic moduli
Young's modulus | Linear compressibility | Shear modulus | Poisson's ratio | Emin | Emax | βmin | βmax | Gmin | Gmax | νmin | νmax |
---|---|---|---|---|---|---|---|---|---|
Value | 81.165 GPa | 163.18 GPa | 2.6081 TPa–1 | 3.4127 TPa–1 | 26 GPa | 78 GPa | -0.076606 | 0.6499 | Value |
Anisotropy | 2.01 | 1.3085 | 3 | ∞ | Anisotropy | ||||
Axis | 0.3827 0.9239 0.0000 |
0.4320 0.1741 0.8849 |
0.0000 0.0000 1.0000 |
0.3827 0.9239 0.0000 |
1.0000 -0.0002 0.0000 |
0.0000 0.0000 1.0000 |
-0.1680 0.6720 -0.7212 |
0.7225 0.2629 -0.6394 |
Axis |
0.0002 1.0000 0.0000 |
-0.7660 0.6428 -0.0000 |
0.1750 -0.6997 -0.6927 |
-0.3420 0.9397 -0.0000 |
Second axis |
Spatial dependence of Young's modulus
Young's modulus in (xy) plane
Young's modulus in (xz) plane
Young's modulus in (yz) plane
Spatial dependence of linear compressibility
linear compressibility in (xy) plane
linear compressibility in (xz) plane
linear compressibility in (yz) plane
Spatial dependence of shear modulus
Shear modulus in (xy) plane
Shear modulus in (xz) plane
Shear modulus in (yz) plane
Spatial dependence of Poisson's ratio
Poisson's ratio in (xy) plane
Poisson's ratio in (xz) plane
Poisson's ratio in (yz) plane