Jens Harting

• Head of Department at Forschungszentrum Jülich

We characterize the electrokinetic flow due to the transport of electrolytes embedded in nanochannels of varying cross-section with inhomogeneous slip on their walls, modeled as an effective slip length on the channel wall. We show that, within linear response and Debye-Huckel regime, the transport coefficients, and so the fluxes, can be significan...

We propose a reaction-limited evaporation model within the color-gradient lattice Boltzmann (LB) multicomponent framework to address the lack of intrinsic evaporation mechanisms. Unlike diffusion-driven approaches, our method directly enforces mass removal at the fluid interface in a reaction-limited manner while maintaining numerical stability. Us...

Catalyst particles or complexes suspended in liquid films can trigger chemical reactions leading to inhomogeneous concentrations of reactants and products in the film. It is demonstrated that the sensitivity of the liquid film's gas–liquid surface tension to these inhomogeneous concentrations strongly impacts the film stability. Using linear stabil...

Liquid films of nanometric thickness are prone to spinodal dewetting driven by disjoining pressure, meaning that a non-wetting liquid film of homogeneous thickness in the range of tens of nanometers will spontaneously break into droplets. The surface energy of the underlying solid substrate heavily influences the dynamics and resulting droplet conf...

Assembled monolayers of colloidal particles are crucial for various applications, including opto-electronics, surface engineering, as well as light harvesting, and catalysis. A common approach for self-assembly is the drying of a colloidal suspension film on a solid substrate using technologies such as printing and coating. However, this approach o...

Phase diagrams offer a comprehensive representation of the thermodynamics of multi-component systems. However, for ternary amorphous systems, the different possible phase diagram types and their existence conditions are still unclear. Based on the systematic screening of the parameter space for three amorphous ternary material systems representativ...

Understanding phase diagrams is essential for material selection and design, as they provide a comprehensive representation of the thermodynamics of mixtures. This work delivers a broad and systematic overview of...

We present a method to achieve reaction-limited evaporation for the color-gradient lattice Boltzmann multicomponent model. Our approach involves a systematic way to remove fluid mass from the interface region in order to achieve evaporation rates similar to those in a reaction-limited regime. Through various tests, our method demonstrates accurate...

Perovskite solar cells (PSC) are promising potential competitors to established photovoltaic technologies due to their superior efficiency and low-cost solution processability. However, the limited understanding of the crystallization behaviour hinders...

The power conversion efficiency and long-term stability of organic solar cells have increased tremendously over the past years, reaching up to 19.2% on research cells and 14.5% on large modules. To take the final step towards industrialization, fabrication methods that can be upscaled and directly implemented in industrial processes need to be deve...

We develop a semi-analytical model for transport in structured catalytic microreactors, where both reactant and product are compressible fluids. Using lubrication and Fick–Jacobs approximations, we reduce the three-dimensional governing equations to an effective one-dimensional set of equations. Our model captures the effect of compressibility, cor...

We propose the generalization of the thin film equation (TFE) to arbitrarily many immiscible liquid layers. Then, we provide different pathways for deriving the hydrodynamic pressure within the individual layers, showing how to understand the equation as a Cahn-Hilliard-type conservation equation and providing an algorithm to derive the associated...

Margination, a fundamental process in which leukocytes migrate from the flowing blood to the vessel wall, is well-documented in physiology. However, it is still an open question on how the differences in cell size and stiffness of white and red cells contribute to this phenomenon. To investigate the specific influence of cell stiffness, we conduct...

Margination, a fundamental process in which leukocytes migrate from the flowing blood to the vessel wall, is well-documented in physiology. However, it is still an open question on how the differences in cell size and stiffness of white and red cells contribute to this phenomenon. To investigate the specific influence of cell stiffness, we conduct...

The release of hydrogen from liquid organic hydrogen carriers (LOHC) takes place in an endothermal dehydrogenation reaction that is accompanied by a strong volume expansion. This leads to complex hydrodynamic properties that change drastically along the reactor axis due to product gas evolution. Consequently, heat transfer into the catalytic fixed-...

Despite decades of research on blood flow, an analogue of Navier-Stokes equations that accurately describe blood flow properties has not been established yet. The reason behind this is that the properties of blood flow seem \`a priori non universal as they depend on various factors such as global concentration of red blood cells (RBCs) and channel...

We employ a lattice Boltzmann method to compute the acoustic radiation force produced by standing waves on a compressible object for the density matched case. Instead of simulating the fluid mechanics equations directly, the proposed method uses a lattice Boltzmann model that reproduces the wave equation, together with a kernel interpolation scheme...

Interest in organic solar cells (OSCs) is constantly rising in the field of photovoltaic devices. The device performance relies on the bulk heterojunction (BHJ) nanomorphology, which develops during the drying process and additional post-treatment. This work studies the effect of thermal annealing (TA) on an all-small molecule DRCN5T: PC71 BM blend...

We develop a semi-analytical model for transport in structured catalytic microreactors, where both reactant and product are compressible fluids. Making use of the lubrication and Fick-Jacobs approximations, we reduce the three-dimensional governing equations to an effective one-dimensional set of equations. Our model captures the effect of compress...

We investigate the formation and transport of gas bubbles across a model porous electrode/catalyst using lattice Boltzmann simulations. This approach enables us to systematically examine the influence of a wide range of morphologies, flow velocities, and reaction rates on the efficiency of gas production. By exploring these parameters, we identify...

We investigate the formation and transport of gas bubbles across a model porous catalyst/electrode using lattice Boltz-mann simulations. This approach enables us to systematically examine the influence of a wide range of morphologies, flow velocities, and reaction rates on the efficiency of gas production. By exploring these parameters, we identify...

We determine the local charge dynamics of a $$z-z$$ z - z electrolyte embedded in a varying-section channel. By means of an expansion based on the length scale separation between the axial and transverse direction of the channel, we derive closed formulas for the local excess charge for both, dielectric and conducting walls, in 2 D (planar geometry...

The pursuit of commercializing perovskite photovoltaics is driving the development of various scalable perovskite crystallization techniques. Among them, gas quenching is a promising crystallization approach for high‐throughput deposition of perovskite films. However, the perovskite films prepared by gas‐quenching assisted blade coating are suscept...

Interest in organic solar cells (OSCs) is constantly rising in the field of photovoltaic devices. The device performance relies on the bulk heterojunction (BHJ) nanomorphology, which develops during the drying...

Switchable and adaptive substrates emerged as valuable tools for controlling wetting and actuation of droplet motion. Here, we report a computational study of the dynamics of an unstable thin liquid film deposited on a switchable substrate, modelled with a space and time varying contact angle. For a sufficiently large rate of wettability variation...

Liquid-phase transmission electron microscopy (LP-TEM) is a powerful tool to gain unique insights into dynamics at the nanoscale. The electron probe, however, can induce significant beam effects that often alter observed phenomena such as radiolysis of the aqueous phase. The magnitude of beam-induced radiolysis can be assessed by means of radiation...

We develop a semi-analytical model of self-diffusioosmotic transport in active pores, which includes advective transport and the inverse chemical reaction that consumes solute. In previous work [Antunes et al., Phys. Rev. Lett. 129, 188003 (2022)], we have demonstrated the existence of a spontaneous symmetry breaking in fore-aft symmetric pores tha...

Membrane viscosity is known to play a central role in the transient dynamics of isolated viscoelastic capsules by decreasing their deformation, inducing shape oscillations and reducing the loading time, that is, the time required to reach the steady-state deformation. However, for dense suspensions of capsules, our understanding of the influence of...

The wetting dynamics of liquid particles, from coated droplets to soft capsules, holds significant technological interest. Motivated by the need to simulate liquid metal droplets with an oxidized surface layer, in this work, we introduce a computational scheme that allows us to simulate droplet dynamics with general surface properties and model dif...

Bifurcations and branches in the microcirculation dramatically affect blood flow as they determine the spatiotemporal organization of red blood cells (RBCs). Such changes in vessel geometries can further influence the formation of a cell-free layer (CFL) close to the vessel walls. Biophysical cell properties, such as their deformability, which is i...

Liquid lens coalescence is an important mechanism involved in many industrial and scientific applications. It has been investigated both theoretically and experimentally, yet it is numerically very challenging to obtain consistent results over the wide ranges of surface tension and viscosity values that are necessary to capture the asymptotic tempo...

We develop a semi-analytical model of self-diffusioosmotic transport in active pores, which includes advective transport and the inverse chemical reaction which consumes solute. In previous work (Phys. Rev. Lett. 129, 188003, 2022), we have demonstrated the existence of a spontaneous symmetry breaking in fore-aft symmetric pores that enables them t...

The wetting dynamics of liquid particles, from coated droplets to soft capsules, holds significant technological interest. Motivated by the need to simulate liquid metal droplet with an oxidize surface layer, in this work we introduce a computational scheme that allows to simulate droplet dynamics with general surface properties and model different...

Hydrogen (H2) produced from renewables will have a growing impact on the global energy dynamics towards sustainable and carbon‐neutral standards. The share of green H2 is still too low to meet the net‐zero target, while the demand for high‐quality hydrogen continues to rise. These factors amplify the need for economically viable H2 generation techn...

Bifurcations and branches in the microcirculation dramatically affect blood flow as they determine the spatiotemporal organization of red blood cells (RBCs). Such changes in vessel geometries can further influence the formation of a cell-free layer (CFL) close to the vessel walls. Biophysical cell properties, such as their deformability, which is i...

In the last decade, the Fick–Jacobs approximation has been exploited to capture transport across constrictions. Here, we review the derivation of the Fick–Jacobs equation with particular emphasis on its linear response regime. We show that, for fore-aft symmetric channels, the flux of noninteracting systems is fully captured by its linear response...

Hypothesis: The applicability of the dynamic light scattering method for the determination of particle diffusivity under confinement without applying refractive index matching was not adequately explored so far. The confinement effect on particle diffusion in a porous material which is relevant for particle chromatography has also not yet been ful...

Membrane viscosity is known to play a central role in the transient dynamics of isolated viscoelastic capsules by decreasing their deformation, inducing shape oscillations and reducing the loading time, that is, the time required to reach the steady-state deformation. However, for dense suspensions of capsules, our understanding of the influence of...

In the last decade the Fick-Jacobs approximation has been exploited to capture the transport across constrictions. Here, we review the derivation of the Fick-Jacobs equation with particular emphasis on its linear response regime. We show that for fore-aft symmetric channels the flux of non-interacting systems is fully captured by its linear respons...

Liquid lens coalescence is an important mechanism involved in many industrial and scientific applications. It has been investigated both theoretically and experimentally, yet it is numerically very challenging to obtain consistent results over the wide ranges of surface tension and viscosity values that are necessary to capture the asymptotic tempo...

Understanding the morphology formation process of solution-cast photoactive layers (PALs) is crucial to derive design rules for optimized and reliable third generation solar cell fabrication. For this purpose, a Phase-Field...

Rolling is a ubiquitous transport mode utilized by living organisms and engineered systems. However, rolling at the microscale has been constrained by the requirement of a physical boundary to break the spatial homogeneity of surrounding mediums, which limits its prospects for navigation to locations with no boundaries. Here, in the absence of real...

The observable reaction rate of heterogeneously catalyzed reactions is known to be limited either by the intrinsic kinetics of the catalytic transformation or by the rate of pore and/or film diffusion. Here, we show that in gas generation reactions from liquid reactants, the nucleation of gas bubbles in the catalyst pore structure represents an add...

Accurate modeling of diffusive transport of nanoparticles across nanopores is a particularly challenging problem. The reason is that for such narrow pores the large surface-to-volume ratio amplifies the relevance of the nanoscopic details and of the effective interactions at the interface with pore walls. Close to the pore wall, there is no clear s...

Accurate modeling of diffusive transport of nanoparticles across nanopores is a particularly challenging problem. The reason is that for such narrow pores the large surface-to-volume ratio amplifies the relevance of the nanoscopic details and of the effective interactions at the interface with pore walls. Close to the pore wall, there is no clear s...

The performance of organic solar cells strongly depends on the bulk-heterojunction (BHJ) morphology of the photoactive layer. This BHJ forms during the drying of the wet-deposited solution, because of physical processes such as crystallization and/or liquid-liquid phase separation (LLPS). However, the process-structure relationship remains insuffic...

We show both numerically and analytically that a chemically patterned active pore can act as a micro- or nanopump for fluids, even if it is fore-aft symmetric. This is possible due to a spontaneous symmetry breaking which occurs when advection rather than diffusion is the dominant mechanism of solute transport. We further demonstrate that, for pump...

The dynamics of rigid particle suspensions in a wall-bounded laminar flow present several nontrivial and intriguing features, including particle ordering, lateral transport, and the appearance of stable, preferential locations like the Segr\'{e}-Silberberg annulus. The formation of more than one annulus is a particularly puzzling phenomenon that is...

Swalbe.jl is an opensource solver for thin film flows written in Julia.

In numerous solution‐processed thin films, a complex morphology resulting from liquid–liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence on the performance of the final device but unfortunately, the process–structure relationship is often poorly a...

Fluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32 (single) precision compared to FP64 (double) precision, especially on GPUs. Here we evaluate the possibility to use even FP16 and posit16 (half) precisi...

Fluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32 (single) precision compared to FP64 (double) precision, especially on GPUs. Here we evaluate the possibility to use even FP16 and posit16 (half) precisi...

The dynamics of rigid particle suspensions in a wall-bounded laminar flow present several non-trivial and intriguing features, including particle ordering, lateral transport, and the appearance of stable, preferential locations like the Segr\'e-Silberberg annulus. The formation of more than one annulus is a particularly puzzling phenomenon that is...

Solution-processed organic bulk heterojunction (BHJ) active layers form sophisticated nanostructures during the drying of the wet-deposited solution, because of complex physical processes such as crystallization and/or liquid-liquid phase separation (LLPS). This structure strongly impacts the photovoltaic performance of organic solar cells. However...

Under the condition of partial surface wettability, thin liquid films can be destabilized by small perturbations and rupture into droplets. As successfully predicted by the thin film equation (TFE), the rupture dynamics are dictated by the liquid–solid interaction. The theory describes the latter using the disjoining pressure or, equivalently, the...

In numerous solution-processed thin films, a complex morphology resulting from liquid-liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence on the performance of the final device but unfortunately the process-structure relationship is often poorly an...

For the description of the fluidization state of fluidized beds, both time-domain analysis and frequency-domain analysis of high-frequency pressure fluctuations are established approaches. For the detection of agglomeration or defluidization, the variance or standard deviation of the pressure signal or the maximum in the frequency spectrum are comm...

Rolling is a ubiquitous mode of transport utilized by both living organisms and engineered systems. Rolling, on the microscale, has become particularly interesting for the manipulation of microswarms, since enacting such motion does not require special prefabrication techniques. However, rolling motion has to date been restricted by the need for a...

Under the condition of partial surface wettability, thin liquid films can be destabilized by small perturbations and rupture into droplets. As successfully predicted by the thin film equation (TFE), the rupture dynamics are dictated by the liquid-solid interaction. The theory describes the latter using the disjoining pressure or, equivalently, the...

We show both numerically and analytically that a chemically patterned active pore can act as a micro/nano-pump for fluids, even if it is fore-aft symmetric. This is possible due to a spontaneous symmetry breaking which occurs when advection rather than diffusion is the dominant mechanism of solute transport. We further demonstrate that, for pumping...

We present guidelines to estimate the effect of electrostatic repulsion in sedimenting dilute particle suspensions. Our results are based on combined Langevin dynamics and lattice Boltzmann simulations for a range of particle radii, Debye lengths and particle concentrations. They show a simple relationship between the slope K of the concentration-d...

The performance of a single or the collection of microswimmers strongly depends on the hydrodynamic coupling among their constituents and themselves. We present a numerical study for a single and a pair of microswimmers based on lattice Boltzmann method (LBM) simulations. Our numerical algorithm consists of two separable parts. Lagrange polynomials...

Switchable and adaptive substrates emerged as valuable tools for the control of wetting and actuation of droplet motion. Here we report a computational study of the dynamics of an unstable thin liquid film deposited on a switchable substrate, modelled with a space and time varying contact angle. With a static pattern, all the fluid is drained into...

Fluid dynamics simulations with the lattice Boltzmann method (LBM) are very memory-intensive. Alongside reduction in memory footprint, significant performance benefits can be achieved by using FP32 (single) precision compared to FP64 (double) precision, especially on GPUs. Here, we evaluate the possibility to use even FP16 and Posit16 (half) precis...

We study numerically how multiple deformable capsules squeeze into a constriction. This situation is largely encountered in microfluidic chips designed to manipulate living cells, which are soft entities. We use fully three-dimensional simulations based on the lattice Boltzmann method to compute the flow of the suspending fluid and on the immersed...

In solution processing of thin films, the material layer is deposited from a solution composed of several solutes and solvents. The final morphology and hence the properties of the film often depend on the time needed for the evaporation of the solvents. This is typically the case for organic photoactive or electronic layers. Therefore, it is impor...

The evolution of the microstructure due to spinodal decomposition in phase separated mixtures has a strong impact on the final material properties. In the late stage of coarsening, the system is characterized by the growth of a single characteristic length scale L ∼ Ctα. To understand the structure-property relationship, the knowledge of the coarse...

We study numerically how multiple deformable capsules squeeze into a constriction. This situation is largely encountered in microfluidic chips designed to manipulate living cells, which are soft entities. We use fully three-dimensional simulations based on the lattice Boltzmann method to compute the flow of the suspending fluid, and on the immersed...

The agglomeration of particles caused by the formation of capillary bridges has a decisive impact on the transport properties of a variety of at a first sight very different systems such as capillary suspensions, fluidized beds in chemical reactors, or even sand castles. Here, we study the connection between the microstructure of the agglomerates a...

We study numerically the effect of thermal fluctuations and of variable fluid-substrate interactions on the spontaneous dewetting of thin liquid films. To this aim, we use a recently developed lattice Boltzmann method for thin liquid film flows, equipped with a properly devised stochastic term. While it is known that thermal fluctuations yield shor...

In a shear flow, particles migrate to their equilibrium positions in the microchannel. Here, we demonstrate theoretically that if particles are inertial, this equilibrium can become unstable due to the Saffman lift force. We derive an expression for the critical Stokes number that determines the onset of instable equilibrium. We also present result...

The ordering of particles in the drying process of a colloidal suspension is crucial in determining the properties of the resulting film. For example, microscopic inhomogeneities can lead to the formation of cracks and defects that can deteriorate the quality of the film considerably. This type of problem is inherently multiscale and here we study...

In a shear flow particles migrate to their equilibrium positions in the microchannel. Here we demonstrate theoretically that if particles are inertial, this equilibrium can become unstable due to the Saffman lift force. We derive an expression for the critical Stokes number that determines the onset of instable equilibrium. We also present results...

The evolution of the microstructure due to spinodal decomposition in phase separated mixtures has a strong impact on the final material properties. In the late stage of coarsening, the system is characterized by the growth of a single characteristic length scale $L\sim C t^{\alpha}$. To understand the structure-property relationship, the knowledge...

The active motion of phoretic colloids leads them to accumulate at boundaries and interfaces. Such an excess accumulation, with respect to their passive counterparts, makes the dynamics of phoretic colloids particularly sensitive to the presence of boundaries and pave new routes to externally control their single particle as well as collective beha...

Hydrodynamic interactions are crucial for determining the cooperative behavior of microswimmers at low Reynolds numbers. Here we provide a comprehensive analysis of the scaling laws and the strength of the interactions in the case of a pair of three-sphere swimmers. Both stroke-based and force-based elastic microswimmers are analyzed using an analy...

In solution-processing of thin films, the material layer is deposited from a solution composed of several solutes and solvents. The final morphology and hence the properties of the film often depend on the time needed for the evaporation of the solvents. This is typically the case for organic photoactive or electronic layers. Therefore, it is impor...

Liquid capillary‐bridge formation between solid particles has a critical influence on the rheological properties of granular materials and, in particular, on the efficiency of fluidized bed reactors. The available analytical and semi‐analytical methods have inherent limitations, and often do not cover important aspects, like the presence of non‐axi...

The active motion of phoretic colloids leads them to accumulate at boundaries and interfaces. Such an excess accumulation, with respect to their passive counterparts, makes the dynamics of phoretic colloids particularly sensitive to the presence of boundaries and pave new routes to externally control their single particle as well as collective beha...

By comparing theoretical modeling, simulations, and experiments, we show that there exists a swimming regime at low Reynolds numbers solely driven by the inertia of the swimmer itself. This is demonstrated by considering a dumbbell with an asymmetry in coasting time in its two spheres. Despite deforming in a reciprocal fashion, the dumbbell swims b...

The dynamics of a triangular magnetocapillary swimmer is studied using the lattice Boltzmann method. We extend on our previous work, which deals with the self-assembly and a specific type of the swimmer motion characterized by the swimmer’s maximum velocity centred around the particle’s inverse viscous time. Here, we identify additional regimes of...