arXiv subjects

Linnea Heitmeier

Publications and source records attributed to Linnea Heitmeier.

4 recordsLinked to original sources

arXiv2026

Molecular Dynamics simulations of Al-Ti metallic alloy melts using a transferable machine-learning potential

We investigate the structural and dynamical properties of binary aluminum-titanium liquid metallic alloys, as a function of temperature and composition. We make use of MD-simulations, using a transferable machine-learning potential developed by Song et al. [Nature Communications 15, 10208 (2024)], and compare our results to experimental data. Although this potential was initially trained on solid properties, we find good agreement between the experimental data and the simulation results for the liquid state. The excess volume and compositional changes of the structure are captured well by the machine-learned potential. The simulation allows to disentangle local packing from chemical-ordering effects; the latter are found to be weak in Al-Ti. Dynamical quantities like the viscosity and the diffusion coefficients are also discussed.

cond-mat.mtrl-sci↗

arXiv2026

A Vibrated Compacting Granular System: A DEM Light Scattering Comparison

We perform Discrete Element Method (DEM) simulations of granular particles (polystyrene spheres) vibrated inside a cubic container. The study investigates the evolution of the packing fraction with and without rotational friction at different shaking amplitudes. The mean-squared displacement (MSD) is used to analyze the particles' diffusive, subdiffusive, and superdiffusive behavior. By monitoring both the dynamics and density evolution, one can observe the system's glassification. The comparison with experiments shows that the MSDs from the simulations are significantly higher than the MSDs measured by Diffusing Wave Spectroscopy (DWS) \cite{kunzner2025dynamics}. Following our finding that the rotational MSD is of the same order of magnitude as the MSD measured in DWS experiments, we propose that the experimental signal is not dominated by translational motion but rather by rotational particle dynamics. This provides access to a relevant particle property that has previously been difficult to measure directly. Finally, we conclude that the system reaches a dynamically constrained state well before random close packing, with particle displacements already below the Lindemann length.

cond-mat.soft↗

arXiv2025

Spreading droplets of yield-stress fluids with and without gravity

We investigate the effect of gravity on the spreading of droplets of yield stress fluids, by performing both microgravity experiments (in a drop tower) and experiments under terrestrial gravity. We investigate the dependence of the final droplet shape on yield stress and gravity. Droplets are deposited on a thin film of the same material, allowing to directly test scaling laws derived from the thin-film equation for viscoplastic fluids. Microgravity conditions allow to vary independently the two relevant dimensionless numbers, the Bond number, B, and the plastocapillary number, J, and thus to disentangle the influence of surface tension from that of the yield stress on the droplet shapes. Simulations using a visco-elastic model with shear thinning complement the experiments and show good agreement regarding the droplet shapes. Possible deviations arising in the regime of non-negligible elastic effects and large plastocapillary numbers (large yield stress) are discussed.

physics.flu-dyn↗

arXiv2025

Shear-Rate Dependent Surface Tension of Glass-Forming Fluids

We investigate the interface of a glass-forming fluid showing non-Newtonian rheology. By applying shear flow in the interface, we detect that the surface tension depends on the shear rate. Importantly, the standard way of determining surface tension from the pressure drop across the interface gives rise to an effective surface tension in the non-Newtonian fluid that mixes bulk and interface properties. We show how the pressure anisotropy can be used to clearly define the bulk and interface regions and extract a genuine shear-rate dependent surface tension. The results have implications for measurement techniques related to interfacial rheology of complex fluids.

cond-mat.soft↗