Software Development for Quantitative Analysis of Rheo-SAXS-XPCS Measurements
Session Number
1
Advisor(s)
Wei Chen, Argonne National Laboratory (Material Science Division)
Location
A155
Discipline
Chemistry
Start Date
15-4-2026 10:15 AM
End Date
14-3-2026 11:00 AM
Abstract
Rheo-SAXS-XPCS is a real-time characterization technique that combines coherent X-ray scattering with rheological measurements to obtain quantitative information on the structure and dynamics of soft materials at micro- and nanometer length scales. Processing Rheo-SAXS-XPCS data, however, often requires familiarity with command-line tools, Python programming, and specialized analysis workflows, which can limit accessibility for many users. This work develops a set of software tools that operate together to support the analysis and fitting of Rheo-SAXS-XPCS data. The package includes xpcsviewer, a graphical user interface for rapid inspection, processing, and visualization of XPCS datasets to evaluate data quality and extract basic quantities; rheojax, a model-fitting framework that includes 59 models and 11 transforms, together with more than 200 Jupyter notebooks that serve as reference implementations and instructional examples; and the programs homodyne and heterodyne, which implement analysis methods developed in previous work to characterize dynamical behavior in rheological systems under laminar flow and shear conditions, respectively. Together, these tools provide a unified framework for Rheo-SAXS-XPCS data processing, enabling users to progress from raw data to model-based analysis within a consistent computational environment.
Software Development for Quantitative Analysis of Rheo-SAXS-XPCS Measurements
A155
Rheo-SAXS-XPCS is a real-time characterization technique that combines coherent X-ray scattering with rheological measurements to obtain quantitative information on the structure and dynamics of soft materials at micro- and nanometer length scales. Processing Rheo-SAXS-XPCS data, however, often requires familiarity with command-line tools, Python programming, and specialized analysis workflows, which can limit accessibility for many users. This work develops a set of software tools that operate together to support the analysis and fitting of Rheo-SAXS-XPCS data. The package includes xpcsviewer, a graphical user interface for rapid inspection, processing, and visualization of XPCS datasets to evaluate data quality and extract basic quantities; rheojax, a model-fitting framework that includes 59 models and 11 transforms, together with more than 200 Jupyter notebooks that serve as reference implementations and instructional examples; and the programs homodyne and heterodyne, which implement analysis methods developed in previous work to characterize dynamical behavior in rheological systems under laminar flow and shear conditions, respectively. Together, these tools provide a unified framework for Rheo-SAXS-XPCS data processing, enabling users to progress from raw data to model-based analysis within a consistent computational environment.