SKM 2023 – wissenschaftliches Programm

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DY: Fachverband Dynamik und Statistische Physik

DY 37: Data Analytics of Complex Dynamical Systems (joint session DY/SOE)

DY 37.1: Vortrag

Donnerstag, 30. März 2023, 09:30–09:45, MOL 213

Reverse-engineering method for XPCS studies of non-equilibrium dynamics — •Anastasia Ragulskaya1, Vladimir Starostin1, Nafisa Begam1, Anita Girelli1, Hendrik Rahmann2, Mario Reiser2, Fabian Westermeier3, Michael Sprung3, Fajun Zhang1, Christian Gutt2, and Frank Schreiber11Universität Tübingen, Germany — 2Universität Siegen, Germany — 3DESY, Germany

X-ray photon correlation spectroscopy (XPCS) is a powerful tool for the investigation of dynamics covering broad time and length scales [1]. For non-equilibrium states, the resulting time-dependent dynamic behavior can be described using the two-time correlation function (TTC), which often contains more interesting features than only the component along the diagonal, and cannot be easily interpreted via classical simulation methods. Here, a reverse-engineering (RE) approach is proposed based on particle-based simulations [1]. This approach is applied to XPCS measurements on a protein solution undergoing liquid-liquid phase separation. We demonstrate that the rich features of experimental TTCs can be well connected with the key control parameters including size distribution, concentration, viscosity, and mobility of domains. The dynamic information obtained from this RE analysis goes beyond existing theory. The RE approach established in this work is applicable to other processes such as film growth, domain coarsening, or phase transformations.

[1] A. Ragulskaya et. al., IUCrJ 9 (2022), 439.

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