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 (3D material)
Input: stiffness matrix (coefficients in GPa) of Fe (Materials Project id mp-136)
538 170 153 0 0 0 170 538 153 0 0 0 153 153 622 0 0 0 0 0 0 168 0 0 0 0 0 0 168 0 0 0 0 0 0 184
Average properties
Averaging scheme | Bulk modulus | Young's modulus | Shear modulus | Poisson's ratio |
---|---|---|---|---|
Voigt | KV = 294.44 GPa | EV = 459.85 GPa | GV = 185.47 GPa | νV = 0.23971 |
Reuss | KR = 293.7 GPa | ER = 455.4 GPa | GR = 183.4 GPa | νR = 0.24157 |
Hill | KH = 294.07 GPa | EH = 457.63 GPa | GH = 184.43 GPa | νH = 0.24064 |
Eigenvalues of the stiffness matrix
λ1 | λ2 | λ3 | λ4 | λ5 | λ6 |
---|---|---|---|---|---|
168 GPa | 168 GPa | 184 GPa | 368 GPa | 444.39 GPa | 885.61 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 | 433.72 GPa | 555.87 GPa | 1.0215 TPa–1 | 1.1917 TPa–1 | 168 GPa | 211.62 GPa | 0.18091 | 0.30643 | Value |
Anisotropy | 1.282 | 1.1667 | 1.26 | 1.6938 | Anisotropy | ||||
Axis | 0.6858 0.4150 0.5978 |
0.0000 0.0000 1.0000 |
0.0000 0.0000 1.0000 |
0.5000 0.8660 0.0000 |
0.0000 0.0000 1.0000 |
0.5644 0.4260 0.7071 |
0.4550 0.8905 0.0000 |
0.6611 0.0001 -0.7503 |
Axis |
-0.7660 -0.6428 0.0000 |
0.5646 0.4258 -0.7071 |
0.0000 0.0000 -1.0000 |
-0.7503 -0.0001 -0.6611 |
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