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Andreas Munch

Publications and source records attributed to Andreas Munch.

2 recordsLinked to original sources

Extended pseudo-spectral physics-informed neural networks for phase-field models

Phase-field models play a central role in the continuum description of phase separation, in which the bulk free-energy density and the interfacial thickness parameter determine pattern formation and microstructural evolution. In practice, these constitutive quantities are rarely known a priori and must be inferred from limited dynamical observations. In this work, an extended pseudo-spectral physics-informed neural network (ESPINN) framework is developed for the inverse identification of phase-field models from transient snapshot data. It enables the simultaneous recovery of both the bulk chemical potential and unknown gradient coefficients. Numerical experiments on the one-dimensional Cahn-Hilliard equation demonstrate accurate and statistically stable reconstruction in the noiseless regime, with substantial constitutive information recoverable from even a single snapshot pair. In the presence of noise, reconstruction accuracy degrades gracefully, and increasing the number of snapshots improves robustness by reducing variance across runs. These results establish ESPINN as a data-efficient and physically consistent approach for learning free-energy structure in continuum models of phase separation.

q-bio.QM

The diffusive dynamics and electrochemical regulation of weak polyelectrolytes across liquid interfaces

We propose a framework to study the spatio-temporal evolution of liquid-liquid phase separation of weak polyelectrolytes in ionic solutions. Unlike strong polyelectrolytes, which carry a fixed charge, the charge state of weak polyelectrolytes is modulated by the electrochemical environment through protonation and deprotonation processes. Leveraging numerical simulations and analysis, our work reveals how solution acidity (pH) influences the formation, interactions, and structural properties of phase-separated coacervates. We find that pH gradients can be maintained across coacervate interfaces resulting in a clear distinction in the electro-chemical properties within and outside the coacervate. By regulating the charge state of weak polyelectrolytes, pH gradients interact and modulate the electric double layer forming at coacervate interfaces eventually determining how they interact. Further linear and nonlinear analyses of stationary localised solutions reveal a rich spectrum of behaviours that significantly distinguish weak from strong polyelectrolytes. Overall, our results demonstrate the importance of charge regulation on phase-separating solutions of charge-bearing molecules and the possibility of harnessing charge-regulated mechanisms to control coacervates and shape their stability and spatial organisation.

cond-mat.soft