lammps_shear_sweep
Generate LAMMPS input scripts for a shear-rate sweep, creating one script per rate to analyze viscosity, shear thinning/thickening, and rheological behavior.
Instructions
Generate LAMMPS input scripts for a shear-rate sweep.
Creates one input script per shear rate to study rheological behavior, shear thinning/thickening, and viscosity as a function of shear rate.
Args: shear_rates: JSON array of shear rates to simulate. atoms_per_side: Number of unit cells per side. lattice_spacing: Lattice constant. potential: Interatomic potential type. temperature: Simulation temperature. n_equilibrate: Number of equilibration steps. n_production: Number of production steps. shear_direction: Shear plane (xy, xz, yz). output_dir: Directory to write scripts.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| potential | No | lj | |
| output_dir | No | shear_sweep | |
| shear_rates | No | [0.0001, 0.0005, 0.001, 0.005, 0.01] | |
| temperature | No | ||
| n_production | No | ||
| n_equilibrate | No | ||
| atoms_per_side | No | ||
| lattice_spacing | No | ||
| shear_direction | No | xy |
Output Schema
| Name | Required | Description | Default |
|---|---|---|---|
| result | Yes |