Crystal & Microstructure Simulators

How to Use

1. Select crystal system (cubic, hexagonal, tetragonal, or orthorhombic) from the dropdown menu
2. Input lattice parameters (a, b, c in Ångströms) and elastic constants (C11, C12, C44 in GPa)
3. Choose grain orientation angles (Euler angles φ1, Φ, φ2 in degrees) to define crystallographic texture
4. Set temperature (K) and strain rate (s⁻¹) for dynamic recrystallization predictions
5. Run simulation to generate pole figures, stress-strain curves, and dislocation density evolution

Worked Example

For a face-centered cubic (FCC) aluminum alloy: lattice parameter a=4.05 Å, C11=108 GPa, C12=61 GPa, C44=28.3 GPa. Apply uniaxial tension at 300 K, strain rate 10⁻³ s⁻¹. After 15% plastic strain, dislocation density increases from 10¹² to 10¹⁴ m⁻², yield strength rises from 45 MPa (initial) to 180 MPa (work-hardened). The <111> slip system activates first; Schmid factor = 0.408 at 30° to loading axis.

Practical Notes

1. Validate elastic constants against literature (NIST or ASM Handbook) before running multi-phase simulations
2. For BCC steels (E=210 GPa, ν=0.30), expect lower dislocation mobility than FCC; adjust strain rate above 0.01 s⁻¹ to avoid serrated plastic flow
3. Monitor Taylor factor evolution; values >3.5 indicate severe texture-induced anisotropy in sheet metals
4. Temperature effects become dominant above 0.4Tm (homologous); activate thermal softening models for hot rolling (T>900°C for steel)