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cond-mat.soft2026★ 2 cited

Functional trends and rheological evaluation of polyurethane microcapsules in dermato-cosmetic applications

Sharadwata Pan, Andreas Wierschem, Natalie Germann +1

To date, natural and synthetic polymer-based microcapsules have been used extensively in various dermato-cosmetic applications, with an emphasis on the targeted delivery of active…

cond-mat.soft2025★ 4 cited

Static Dielectric Permittivity Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores

Philipp Stärk, Henrik Stooß, Philip Loche +3

The dielectric response of nano-confined fluids is crucial across technologies and biological systems, yet its calculation and interpretation from molecular simulations are often m…

cond-mat.soft2025

Response to dynamic shape changes in suspensions of hard rectangles

Denis Dertli, Thomas Speck

While the autonomous assembly of hard nanoparticles with different shapes has been studied extensively both in experiment and simulations, little is known about systems where parti…

cond-mat.soft2025★ 2 cited

Statistics and morphologies of stable droplets in scalar active fluids

Kathrin Hertäg, Joshua F. Robinson, Thomas Speck

Conventional phase segregation is controlled by a positive interfacial tension, which implies that the system relaxes towards a state in which the interfacial area (or length) is m…

cond-mat.soft2025★ 1 cited

Negative drag force on beating flagellar-shaped bodies in active fluids

Timo Knippenberg, Robin Bebon, Thomas Speck +1

We experimentally investigate the drag force exerted by a suspension of light-induced active particles (APs) on a translating and beating idealized flagellum-shaped object realized…

cond-mat.soft2025★ 5 cited

Singular density correlations in chiral active fluids in three dimensions

Yuta Kuroda, Takeshi Kawasaki, Kunimasa Miyazaki

We investigate density fluctuations in three-dimensional chiral active fluids by using a simple model of helical self-propelled particles. Helical motion is generated by a constant…

cond-mat.soft2024

Azimuthal variation of apparent contact angles on structured surfaces featuring micrometric ramps, pyramids and staggered cubes at two different inherent wettabilities

P. Palmetshofer, S. Hengsbach, M. Guttmann +2

As new manufacturing methods enable manufacturing of microstructured surfaces with varying structure geometries, questions remain on some effects on the wetting behavior and the re…

cond-mat.soft2024★ 6 cited

In pursuit of the tetratic phase in hard rectangles

Denis Dertli, Thomas Speck

We numerically investigate two-dimensional systems of hard rectangles at constant pressure through extensive hard-particle Monte Carlo simulations. We determine the complete phase…

cond-mat.soft2024

Coarse-grained models for phase separation in DNA-based fluids

Soumen De Karmakar, Thomas Speck

DNA is now firmly established as a versatile and robust platform for achieving synthetic nanostructures. While the folding of single molecules into complex structures is routinely…

cond-mat.soft2024★ 9 cited

Universal limiting behaviour of reaction-diffusion systems with conservation laws

Joshua F. Robinson, Thomas Machon, Thomas Speck

Making sense of complex inhomogeneous systems composed of many interacting species is a grand challenge that pervades basically all natural sciences. Phase separation and pattern f…

cond-mat.soft2024★ 6 cited

Crowding-Regulated Binding of Divalent Biomolecules

Tomasz Skóra, Mathijs Janssen, Andreas Carlson +1

Macromolecular crowding affects biophysical processes as diverse as diffusion, gene expression, cell growth, and senescence. Yet, there is no comprehensive understanding of how cro…

cond-mat.soft2024★ 28 cited

Thermodynamics of active matter: Tracking dissipation across scales

Robin Bebon, Joshua F. Robinson, Thomas Speck

The concept of entropy has been pivotal in the formulation of thermodynamics. For systems driven away from thermal equilibrium, a comparable role is played by entropy production an…

cond-mat.soft2024★ 10 cited

pyMBE: the Python-based Molecule Builder for ESPResSo

David Beyer, Paola B. Torres, Sebastian P. Pineda +4

We present the Python-based Molecule Builder for ESPResSo (pyMBE), an open source software to design custom Coarse-Grained (CG) models, as well as pre-defined models of polyelectro…

cond-mat.soft2023★ 9 cited

Rheological Analysis and Evaluation of Measurement Techniques for the Curing Polymethylmethacrylate Bone Cement in Vertebroplasty

Zubin Trivedi, Jacek K. Wychowaniec, Dominic Gehweiler +6

Vertebroplasty is a minimally invasive surgical procedure used to treat vertebral fractures, which conventionally involves injecting polymethylmethacrylate (PMMA) bone cement into…

cond-mat.soft2023★ 9 cited

Structure of liquid--vapor interfaces: perspectives from liquid state theory, large-scale simulations, and potential grazing-incidence X-ray diffraction

Felix Höfling, Siegfried Dietrich

Grazing-incidence X-ray diffraction (GIXRD) is a scattering technique which allows one to characterize the structure of fluid interfaces down to the molecular scale, including the…

cond-mat.soft2023★ 11 cited

Motility-induced clustering of active particles under soft confinement

Timo Knippenberg, Ashreya Jayaram, Thomas Speck +1

We investigate the structural and dynamic properties of active Brownian particles (APs) confined within a soft annulus-shaped channel. Depending on the strength of the confinement…

cond-mat.soft2023★ 10 cited

Collective Hall current in chiral active fluids: Coupling of phase and mass transport through traveling bands

Frank Siebers, Robin Bebon, Ashreya Jayaram +1

Active fluids composed of constituents that are constantly driven away from thermal equilibrium can support spontaneous currents and can be engineered to have unconventional transp…

cond-mat.soft2023★ 95 cited

Colloidal Hard Spheres: Triumphs, Challenges and Mysteries

C. Patrick Royall, Patrick Charbonneau, Marjolein Dijkstra +4

The simplicity of hard spheres as a model system is deceptive. Although the particles interact solely through volume exclusion, that nevertheless suffices for a wealth of static an…

cond-mat.soft2023★ 8 cited

A Generalized Grand-Reaction Method for Modelling the Exchange of Weak (Polyprotic) Acids between a Solution and a Weak Polyelectrolyte Phase

David Beyer, Christian Holm

We introduce a Monte-Carlo method that allows for the simulation of a polymeric phase containing a weak polyelectrolyte, which is coupled to a reservoir at a fixed pH, salt concent…

cond-mat.soft2023★ 35 cited

Explaining Giant Apparent Shifts in Weak Polyelectrolyte Brushes

David Beyer, Peter Košovan, Christian Holm

Recent experiments on weak polyelectrolyte brushes found marked shifts in the effective p that are linear in the logarithm of the salt concentration. Comparing explic…

cond-mat.soft2023★ 9 cited

Optimising nanoporous supercapacitors for heat-to-electricity conversion

Mathijs Janssen, Taras Verkholyak, Andrij Kuzmak +1

Innovative ways of harnessing sustainable energy are needed to meet the world's ever-increasing energy demands. Supercapacitors may contribute, as they can convert waste heat to el…

cond-mat.soft2023★ 11 cited

Effective dynamics and fluctuations of a trapped probe moving in a fluid of active hard discs

Ashreya Jayaram, Thomas Speck

We study the dynamics of a single trapped probe surrounded by self-propelled active particles in two dimensions. In the limit of large size separation, we perform an adiabatic elim…

cond-mat.soft2023★ 15 cited

Optimal motility strategies for self-propelled agents to explore porous media

Christoph Lohrmann, Christian Holm

Micro-robots for, e.g., biomedical applications, need to be equipped with motility strategies that enable them to navigate through complex environments. Inspired by biological micr…

cond-mat.soft2022★ 11 cited

Elucidating contact electrification mechanism of water

Vasily Artemov, Laura Frank, Roman Doronin +6

The open water surface is known to be charged. Yet, the magnitude of the charge and the physical mechanism of the charging remain unclear, causing heated debates across the scienti…