User Guide#

NRSS Model Usage#

The NRSS (Neutron and Resonant Soft X-ray Scattering) model is a powerful tool for simulating and analyzing scattering data. This guide covers the key aspects of using NRSS effectively.

Core Components#

  1. Morphology Definition - Use the Morphology class to define your system structure - Support for various geometries including disks, spheres, and custom shapes - Define material properties and spatial arrangements

  2. Material Properties - Complex refractive indices from experimental data or theoretical calculations - Support for both scalar and tensor (uniaxial) optical constants - Integration with KKcalc for optical constant determination

  3. Simulation Parameters - Energy range selection for resonant scattering - Q-range configuration for scattering profiles - Resolution and accuracy settings

Common Workflows#

  1. Basic Simulation - Define system morphology - Set material properties - Configure simulation parameters - Run simulation and analyze results

  2. Parameter Sweeps - Systematic variation of model parameters - Analysis of parameter effects on scattering - Optimization of model parameters

  3. Data Analysis - Comparison with experimental data - Model refinement and validation - Extraction of structural parameters

Advanced Features#

  1. Custom Model Development - Creating specialized geometric models - Implementing new material property calculations - Advanced parameter sweep strategies

  2. Visualization Tools - 2D and 3D structure visualization - Scattering pattern analysis - Parameter sweep result visualization

Best Practices#

  1. Model Selection - Choose appropriate geometric models - Consider computational efficiency - Validate assumptions

  2. Parameter Optimization - Start with reasonable initial guesses - Use systematic parameter sweeps - Validate results against physical constraints

  3. Performance Considerations - Optimize mesh resolution - Use efficient parameter sweep strategies - Balance accuracy and computation time

For detailed examples and implementations, refer to the tutorial notebooks in the documentation.