Determining the maximum information gain and optimizing experimental design in neutron reflectometry using the Fisher...

Area of Science:

• Materials Science
• Neutron Scattering
• Data Analysis

Background:

• Neutron reflectometry is a powerful technique for probing interfacial structures.
• Optimizing experimental design in neutron reflectometry is crucial for efficient data acquisition and accurate results.
• Quantifying information gain and parameter uncertainties is essential for real-time experimental control.

Purpose of the Study:

• To develop a Fisher information (FI)-based approach for quantifying information gain in neutron reflectometry.
• To enable optimal experimental design and real-time decision-making during measurements.
• To predict and minimize parameter estimation uncertainties.

Main Methods:

• Analytical calculation of Fisher information (FI) for neutron reflectometry experiments.
• Utilizing FI for sub-second predictions of parameter uncertainties.
• Developing an experiment simulation framework with instrument-specific flux profiles for validation.

Main Results:

• FI provides a lower bound on parameter estimation uncertainties, decreasing with the square root of measurement time.
• The FI approach allows for real-time adjustments of experimental parameters like angle, time, and contrast.
• Predictions were validated using simulations and experiments on phospholipid bilayer structures.

Conclusions:

• The Fisher information approach offers an efficient method for optimizing neutron reflectometry experiments.
• This method facilitates real-time experimental control, saving valuable beam time and improving data quality.
• The FI-based strategy is broadly applicable for planning and scheduling neutron scattering experiments.