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 BN (Materials Project id mp-629015)
722 161 0 0 0 0 161 722 0 0 0 0 0 0 4 0 0 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 281
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 196.67 GPa | EV = 344.14 GPa | GV = 142.4 GPa | νV = 0.20836 |
Reuss | KR = 3.9641 GPa | ER = 5.4315 GPa | GR = 2.1356 GPa | νR = 0.27164 |
Hill | KH = 100.32 GPa | EH = 174.82 GPa | GH = 72.268 GPa | νH = 0.20955 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
1 GPa | 1 GPa | 4 GPa | 281 GPa | 561 GPa | 883 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 | 2.9985 GPa | 686.85 GPa | 1.1325 TPa–1 | 250 TPa–1 | 1 GPa | 281 GPa | 0 | 0.72103 | Value |
Anisotropy | 229.1 | 220.7500 | 281 | ∞ | Anisotropy | ||||
Axis | 0.5779 -0.0000 0.8161 |
0.7071 0.7071 0.0000 |
1.0000 0.0000 0.0000 |
0.0000 0.0000 1.0000 |
0.0000 0.0000 1.0000 |
1.0000 0.0007 -0.0000 |
0.0000 0.0000 1.0000 |
0.6816 0.6816 -0.2663 |
Axis |
1.0000 0.0000 -0.0000 |
-0.0007 1.0000 -0.0000 |
1.0000 0.0000 -0.0000 |
-0.1883 -0.1883 -0.9639 |
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