arXiv subjects

Juan L. Aragones

Publications and source records attributed to Juan L. Aragones.

12 recordsLinked to original sources

arXiv2026

Programmable transport of rotating particles in obstacle arrays

Rotating colloids, or spinners, in obstacle arrays exhibit frequency-set stationary orbits and currents set by the competition between an inertial, Magnus-like lift and short-range attraction. Fully resolved lattice-Boltzmann simulations reveal the hydrodynamic coupling and identify the lift mechanism, while a symmetry-based Langevin model captures the resulting balance. In periodic lattices, the superposition of scalar and vector potentials produces two robust orbital regimes: corner states, in which spinners orbit individual posts, and inner states, in which orbits couple across four neighboring obstacles. Slow frequency modulation toggles these states and produces directed, stepwise transport across the grid. This establishes a minimal hydrodynamic mechanism, controlled by a single driving parameter, for programmable guidance of active rotors in structured environments.

cond-mat.soft↗

arXiv2025

Membrane-mediated force transduction: Stick-slip motion of vesicles with fluid membranes

How internal forces are transduced into motion through soft, fluid membranes remains a fundamental question in the study of active systems. To investigate this coupling, we develop a minimal system consisting of a single ferromagnetic particle encapsulated within a lipid vesicle with controlled membrane composition and phase behavior. An external rotating magnetic field actuates the particle, which rotates and translates along the inner membrane leaflet. This motion generates local slip in the membrane; near a substrate, the slip creates a shear gradient across the lubrication gap that propels the vesicle forward. Propulsion is intermittent and strongest when the particle moves near the vesicle bottom, where stress transmission is most effective. We find that the coupling between internal flows and vesicle motion is highly sensitive to membrane elasticity, excess area, and phase coexistence. Local membrane deformation and flow dissipate part of the stress, limiting the efficiency of force transduction. Additionally, membrane fluctuations and external boundaries reduce particle mobility, and in phase-separated membranes, line tension at domain boundaries deflects the particle and gradually reorients membrane structure. These results demonstrate that lipid membranes not only transmit internal stresses but also remodel themselves in response, actively shaping the dynamics of force transduction and motion in active systems.

cond-mat.soft↗

arXiv2025

Rolling, sliding and trapping of driven particles in square obstacle lattices

Transport phenomena in complex and dynamic microscopic environments are fundamentally shaped by hydrodynamic interactions. In particular, microparticle transport in porous media is governed by the delicate interplay between particle-substrate friction and pressure forces. Here, we systematically investigate the motion of externally driven rotating magnetic microparticles near a substrate patterned with a square lattice of cylindrical obstacles, a model porous medium. Remarkably, we observe a reversal in the direction of particle translation as obstacle spacing decreases, highlighting a sensitive competition between shear-induced forward rolling and pressure-driven backward sliding due to flow-field symmetry breaking. These results demonstrate the crucial role of structured environments in determining microscale active particle transport, offering novel strategies for microfluidic design, targeted cargo delivery, and tunable active materials.

cond-mat.soft↗

arXiv2024

Rolling vesicles: From confined rotational flows to surface-enabled motion

The interaction of surfaces in relative motion in wet environments is dominated by lubrication forces, which play a pivotal role in the dynamics of microscopic systems. Here, we develop motile vesicles that exploit lubrication forces to roll on substrates. The activity of the vesicle comes from the confined rotational flow generated by a driven rotating particle encapsulated within the vesicle by droplet-microfluidics. Lubrication forces driving vesicle rolling are controlled by membrane mechanics and its tribological properties. This provides the design principles for motile vesicles that exploit frictional forces to efficiently navigate through complex environments.

cond-mat.soft↗

arXiv2020

Metamaterials for Active Colloid Transport

Transport phenomena in out-of-equilibrium systems is immensely important in a myriad of applications in biology, engineering and physics. Complex environments, such as the cytoplasm or porous media, can substantially affect the transport properties of such systems. In particular, recent interest has focused on how such environments affect the motion of active systems, such as colloids and organisms propelled by directional driving forces. Nevertheless, the transport of active matter with non-directional (rotational) activity is yet to be understood, despite the ubiquity of rotating modes of motion in synthetic and natural systems. Here, we report on the discovery of spatiotemporal metamaterial systems that are able to dictate the transport of spinning colloids in exquisite ways based on solely two parameters: frequency of spin modulation in time and the symmetry of the metamaterial. We demonstrate that dynamic modulations of the amplitude of spin on a colloid in lattices with rotational symmetry give rise to non-equilibrium ballistic transport bands, reminiscent of those in Floquet-Bloch systems. By coupling these temporal modulations with additional symmetry breaking in the lattice, we show selective control from 4-way to 2-way to unidirectional motion. Our results provide critical new insights into the motion of spinning matter in complex (biological) systems. Furthermore, our work can also be used for designing systems with novel and unique transport properties for application in, for example, smart channel-less microfluidics, micro-robotics, or colloidal separations.

cond-mat.soft↗

arXiv2018

Diffusion of self-propelled particles in complex media

The diffusion of active microscopic organisms in complex environments plays an important role in a wide range of biological phenomena from cell colony growth to single organism transport. Here, we investigate theoretically and computationally the diffusion of a self-propelled particle (the organism) embedded in a complex medium comprised of a collection of non-motile solid particles that mimic soil or other cells. Under such conditions we find that the rotational relaxation time of the swimming direction depends on the swimming velocity and is drastically reduced compared to a pure Newtonian fluid. This leads to a dramatic increase (of several orders of magnitude) in the effective rotational diffusion coefficient of the self-propelled particles, which can lead to "self-trapping" of the active particles in such complex media. An analytical model is put forward that quantitatively captures the computational results. Our work sheds light on the role that the environment plays in the behavior of active systems and can be generalized in a straightforward fashion to understand other synthetic and biological active systems in heterogenous environments.

physics.flu-dyn↗

arXiv2017

Aggregation Dynamics of Active Rotating Particles in Dense Passive Media

Active matter systems are able to exhibit emergent non-equilibrium states due to activity-induced effective interactions between the active particles. Here we study the aggregation and dynamical behavior of active rotating particles, spinners, embedded in 2D passive colloidal monolayers, which constitutes one such non-equilibrium process. Using both experiments and simulations we observe aggregation of active particles or spinners whose behavior resembles classical 2D coarsening. The aggregation behavior and spinner attraction depends on the mechanical properties of the passive monolayer and the activity of spinners. Spinner aggregation only occurs when the passive monolayer behaves elastically and when the spinner activity exceeds a minimum activity threshold. Interestingly for the spinner concentrations investigated here, the spinner concentration doesn't seem to change the dynamics of the aggregation behavior. There is also a characteristic cluster size at which the dynamics of spinner aggregation is maximized as drag through the passive monolayer is minimized and the stress applied on the passive medium is maximized. We also show that a ternary mixture of passive particles, co-rotating, and counter-rotating spinners also aggregates into clusters of co and counter-rotating spinners respectively.

cond-mat.soft↗

arXiv2014

Artificial Tribotactic Microscopic Walkers

Friction, the resistive force between two surfaces sliding past each other, is at the core of a wide diversity of locomotion schemes. While such schemes are somewhat understood for homogeneous environments, locomotion based on friction in inhomogeneous environments has not received much attention. Here, we introduce and demonstrate the concept of tribotaxis by utilizing microwalkers that detect gradients in the friction coefficient controlled by the density of biological receptors on the substrate. When actuated stochastically, these microwalkers migrate to regions of higher friction, effectively performing chemotaxis. Simulations and theory based on biased random walks are in excellent agreement with experiments. Our results may have important implications in artificial and natural locomotion in biological environments because interfaces are a prominent motif in nature.

cond-mat.soft↗

arXiv2013

Homogeneous bubble nucleation in water at negative pressure: A Voronoi polyhedra analysis

We investigate vapor bubble nucleation in metastable TIP4P/2005 water at negative pressure via the Mean First Passage Time (MFPT) method using the volume of the largest bubble as a local order parameter. We identify the bubbles in the system by means of a Voronoi-based analysis of the Molecular Dynamics trajectories. By comparing the features of the tessellation of liquid water at ambient conditions to those of the same system with an empty cavity we are able to discriminate vapor (or interfacial) molecules from the bulk ones. This information is used to follow the time evolution of the largest bubble until the system cavitates at 280 K above and below the spinodal line. At the pressure above the spinodal line, the MFPT curve shows the expected shape for a moderately metastable liquid from which we estimate the bubble nucleation rate and the size of the critical cluster. The nucleation rate estimated using Classical Nucleation Theory turns out to be about 8 order of magnitude lower than the one we compute by means of MFPT. The behavior at the pressure below the spinodal line, where the liquid is thermodynamically unstable, is remarkably different, the MFPT curve being a monotonous function without any inflection point.

cond-mat.stat-mech↗

arXiv2012

A study of the influence of isotopic substitution on the melting point and temperature of maximum density of water by means of path integral simulations of rigid models

The melting point of ice Ih, as well as the temperature of maximum density (TMD) in the liquid phase, has been computed using the path integral Monte Carlo method. Two new models are introduced; TIP4PQ_D2O and TIP4PQ_T2O which are specifically designed to study D2O and T2O respectively. We have also used these models to study the "competing quantum effects" proposal of Habershon, Markland and Manolopoulos; the TIP4PQ/2005, TIP4PQ/2005 (D2O) and TIP4PQ/2005 (T2O) models are able to study the isotopic substitution of hydrogen for deuterium or tritium whilst constraining the geometry, while the TIP4PQ_D2O and TIP4PQ_T2O models, where the O-H bond lengths are progressively shortened, permit the study of the influence of geometry (and thus dipole moment) on the isotopic effects. For TIP4PQ_D2O - TIP4PQ/2005 we found a melting point shift of 4.9 K (experimentally the value is 3.68K) and a TMD shift of 6K (experimentally 7.2K). For TIP4PQ_T2O - TIP4PQ/2005 we found a melting point shift of 5.2 K (experimentally the value is 4.49K) and a TMD shift of 7K (experimentally 9.4K).

cond-mat.stat-mech↗

arXiv2012

The phase diagram of water from quantum simulations

The phase diagram of water has been calculated for the TIP4PQ/2005 model, an empirical rigid non-polarisable model. The path integral Monte Carlo technique was used, permitting the incorporation of nuclear quantum effects. The coexistence lines were traced out using the Gibbs-Duhem integration method, once having calculated the free energies of the liquid and solid phases in the quantum limit, which were obtained via thermodynamic integration from the classical value by scaling the mass of the water molecule. The resulting phase diagram is qualitatively correct, being displaced to lower temperatures by 15-20K. It is found that the influence of nuclear quantum effects are correlated to the tetrahedral order parameter.

cond-mat.stat-mech↗

arXiv2009

Anomalies in water as obtained from computer simulations of the TIP4P/2005 model: density maxima, and density, isothermal compressibility and heat capacity minima

The so-called thermodynamic anomalies of water form an integral part of the peculiar behaviour of this both important and ubiquitous molecule. In this paper our aim is to establish whether the recently proposed TIP4P/2005 model is capable of reproducing a number of these anomalies. Using molecular dynamics simulations we investigate both the maximum in density and the minimum in the isothermal compressibility along a number of isobars. It is shown that the model correctly describes the decrease in the temperature of the density maximum with increasing pressure. At atmospheric pressure the model exhibits an additional minimum in density at a temperature of about 200K, in good agreement with recent experimental work on super-cooled confined water. The model also presents a minimum in the isothermal compressibility close to 310K. We have also investigated the atmospheric pressure isobar for three other water models; the SPC/E and TIP4P models also present a minimum in the isothermal compressibility, although at a considerably lower temperature than the experimental one. For the temperature range considered no such minimum is found for the TIP5P model.

cond-mat.stat-mech↗