arXiv subjects

Daniel Schlesinger

Publications and source records attributed to Daniel Schlesinger.

4 recordsLinked to original sources

arXiv2025

Interpretable Air Pollution Forecasting by Physics-Guided Spatiotemporal Decoupling

Accurate and interpretable air pollution forecasting is crucial for public health, but most models face a trade-off between performance and interpretability. This study proposes a physics-guided, interpretable-by-design spatiotemporal learning framework. The model decomposes the spatiotemporal behavior of air pollutant concentrations into two transparent, additive modules. The first is a physics-guided transport kernel with directed weights conditioned on wind and geography (advection). The second is an explainable attention mechanism that learns local responses and attributes future concentrations to specific historical lags and exogenous drivers. Evaluated on a comprehensive dataset from the Stockholm region, our model consistently outperforms state-of-the-art baselines across multiple forecasting horizons. Our model's integration of high predictive performance and spatiotemporal interpretability provides a more reliable foundation for operational air-quality management in real-world applications.

cs.LG↗

arXiv2020

Brine rejection and hydrate formation upon freezing of NaCl aqueous solutions

Studying the freezing of saltwater on a molecular level is of fundamental importance for improving freeze desalination techniques. Here, we investigate the freezing process of NaCl solutions using a combination of x-ray diffraction and molecular dynamics simulations (MD) for different salt-water concentrations, ranging from seawater conditions to saturation. A linear superposition model reproduces well the brine rejection due to hexagonal ice Ih formation and allows us to quantify the fraction of ice and brine. Furthermore, upon cooling at T = 233 K we observe the formation of NaCl$\cdot$2H$_2$O hydrates (hydrohalites), which coexist with ice Ih. MD simulations are utilized to model the formation of NaCl crystallites. From the simulations we estimate that the salinity of the newly produced ice is 0.5% mass percent (m/m) due to ion inclusions, which is within the salinity limits of fresh water. In addition, we show the effect of ions on the local ice structure using the tetrahedrality parameter and follow the crystalite formation by using the ion coordination parameter and cluster analysis.

physics.chem-ph↗

arXiv2019

Effect of nucleation on icy pebble growth in protoplanetary discs

Solid particles in protoplanetary discs can grow by direct vapour deposition outside of ice lines. The presence of microscopic silicate particles may nevertheless hinder growth into large pebbles, since the available vapour is deposited predominantly on the small grains that dominate the total surface area. Experiments on heterogeneous ice nucleation, performed to understand ice clouds in the Martian atmosphere, show that the formation of a new ice layer on a silicate surface requires a substantially higher water vapour pressure than the deposition of water vapour on an existing ice surface. In this paper, we investigate how the difference in partial vapour pressure needed for deposition of vapour on water ice versus heterogeneous ice nucleation on silicate grains influences particle growth close to the water ice line. We developed and tested a dynamical 1D deposition and sublimation model, where we include radial drift, sedimentation, and diffusion in a turbulent protoplanetary disc. We find that vapour is deposited predominantly on already ice-covered particles, since the vapour pressure exterior of the ice line is too low for heterogeneous nucleation on bare silicate grains. Icy particles can thus grow to centimetre-sized pebbles in a narrow region around the ice line, whereas silicate particles stay dust-sized and diffuse out over the disc. The inhibition of heterogeneous ice nucleation results in a preferential region for growth into planetesimals close to the ice line where we find large icy pebbles. The suppression of heterogeneous ice nucleation on silicate grains may also be the mechanism behind some of the observed dark rings around ice lines in protoplanetary discs, as the presence of large ice pebbles outside ice lines leads to a decrease in the opacity there.

astro-ph.EP↗

arXiv2013

The Boson peak in supercooled water

We perform extensive molecular dynamics simulations of the TIP4P/2005 model of water to investigate the origin of the Boson peak reported in experiments on supercooled water in nanoconfined pores, and in hydration water around proteins. We find that the onset of the Boson peak in supercooled bulk water coincides with the crossover to a predominantly low-density-like liquid below the Widom line $T_W$. The frequency and onset temperature of the Boson peak in our simulations of bulk water agree well with the results from experiments on nanoconfined water. Our results suggest that the Boson peak in water is not an exclusive effect of confinement. We further find that, similar to other glass-forming liquids, the vibrational modes corresponding to the Boson peak are spatially extended and are related to transverse phonons found in the parent crystal, here ice Ih.

cond-mat.soft↗