Modeling neutron and X-ray scattering by liquids

TL;DR

This paper reviews and improves formal methods for modeling neutron and X-ray scattering in liquids, emphasizing a restriction-free approach that uses minimal parameters for more accurate data analysis.

Contribution

It introduces a fail-safe, restriction-free modeling framework for liquid scattering data that minimizes free parameters and critiques common analysis habits.

Findings

Proposes a restriction-free modeling approach

Highlights pitfalls of common data analysis habits

Demonstrates improved accuracy in scattering data modeling

Abstract

We review exact formalisms for describing the dynamics of liquids in terms of static parameters. We discuss how these formalisms are prone to suffer from imposing restrictions that appear to adhere to common sense but which are overly restrictive, resulting in a flawed description of the dynamics of liquids. We detail a fail-safe way for modeling the scattering data of liquids that is free from any unwarranted restriction and that models the scattering using the fewest possible number of free parameters. We also list some common habits in analyzing data and how these habits do not do justice to the accuracy of the results obtained in scattering experiments, and how these habits may stand in the way of rejecting some models used in describing the dynamics of liquids.