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Register a new userA phase-field model for the evaporation of thin film mixtures
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The performance of solution-processed solar cells strongly depends on the geometrical structure and roughness of the photovoltaic layers formed during film drying. During the drying process, the interplay of crystallization and liquid-liquid demixing leads to the structure formation on the nano- and microscale and to the final rough film. In order to better understand how the film structure can be improved by process engineering, we aim at theoretically investigating these systems by means of phase-field simulations. We introduce an evaporation model based on the Cahn-Hilliard equation for the evolution of the fluid concentrations coupled to the Allen-Cahn equation for the liquid-vapour phase transformation. We demonstrate its ability to match the experimentally measured drying kinetics and study the impact of the parameters of our model. Furthermore, the evaporation of solvent blends and solvent-vapour annealing are investigated. The dry film roughness emerges naturally from our set of equations, as illustrated through preliminary simulations of spinodal decomposition and film drying on structured substrates.
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We propose a novel approach to the numerical simulation of thin film flows, based on the lattice Boltzmann method. We outline the basic features of the method, show in which limits the expected thin film equations are recovered and perform validation tests. The numerical scheme is applied to the viscous Rayleigh-Taylor instability of a thin film and to the spreading of a sessile drop towards its equilibrium contact angle configuration. We show that the Cox-Voinov law is satisfied, and that the effect of a tunable slip length on the substrate is correctly captured. We address, then, the problem of a droplet sliding on an inclined plane, finding that the Capillary number scales linearly with the Bond number, in agreement with experimental results. At last, we demonstrate the ability of the method to handle heterogenous and complex systems by showcasing the controlled dewetting of a thin film on a chemically structured substrate.
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 important to be able to predict the evaporation kinetics of such mixtures. We propose here a new phase-field model for the simulation of evaporating fluid mixtures and simulate their evaporation kinetics. Similar to the Hertz-Knudsen theory, the local liquid-vapor equilibrium is assumed to be reached at the film surface and evaporation is driven by diffusion away from this gas layer. The simulations match the behavior expected theoretically from the free energy, as well as experimental results. For evaporation of pure solvents, the evaporation rate is constant and proportional to the vapor pressure. For mixtures, the evaporation rate is in general strongly time-dependent because of the changing composition of the film. Nevertheless, for highly non-ideal mixtures, such as poorly compatible fluids or polymer solutions, the evaporation rate becomes almost constant in the limit of low Biot numbers.
In the emerging field of 3D bioprinting, cell damage due to large deformations is considered a main cause for cell death and loss of functionality inside the printed construct. Those deformations, in turn, strongly depend on the mechano-elastic response of the cell to the hydrodynamic stresses experienced during printing. In this work, we present a numerical model to simulate the deformation of biological cells in arbitrary three-dimensional flows. We consider cells as an elastic continuum according to the hyperelastic Mooney-Rivlin model. We then employ force calculations on a tetrahedralized volume mesh. To calibrate our model, we perform a series of FluidFM(R) compression experiments with REF52 cells demonstrating that all three parameters of the Mooney-Rivlin model are required for a good description of the experimental data at very large deformations up to 80%. In addition, we validate the model by comparing to previous AFM experiments on bovine endothelial cells and artificial hydrogel particles. To investigate cell deformation in flow, we incorporate our model into Lattice Boltzmann simulations via an Immersed-Boundary algorithm. In linear shear flows, our model shows excellent agreement with analytical calculations and previous simulation data.
The scales of the white Cyphochilus beetles are endowed with unusual whiteness arising from the exceptional scattering efficiency of their disordered ultrastructure optimized through millions of years of evolution. Here, a simple, one-step method based on water vapor-induced phase separation (VIPS) is developed to prepare ultra-thin polystyrene (PS) films with similar microstructure and comparable optical performance. A typical biomimetic 3.5 um PS film exhibits a diffuse reflectance of 61% at 500 nm, which translates into a transport mean free path below 1 um. A complete optical characterization through Monte Carlo simulations reveals how such scattering performance arises from the scattering coefficient and scattering anisotropy, whose interplay provides insight into the morphological properties of the material. The potential of bright-white coatings as smart sensors or wearable devices is highlighted using a treated ultra-thin film as a real-time sensor for human exhalation.
Compared to agile legged animals, wheeled and tracked vehicles often suffer large performance loss on granular surfaces like sand and gravel. Understanding the mechanics of legged locomotion on granular media can aid the development of legged robots with improved mobility on granular surfaces; however, no general force model yet exists for granular media to predict ground reaction forces during complex limb intrusions. Inspired by a recent study of sand-swimming, we develop a resistive force model in the vertical plane for legged locomotion on granular media. We divide an intruder of complex morphology and kinematics, e.g., a bio-inspired robot L-leg rotated through uniform granular media (loosely packed ~ 1 mm diameter poppy seeds), into small segments, and measure stresses as a function of depth, orientation, and direction of motion using a model leg segment. Summation of segmental forces over the intruder predicts the net forces on both an L-leg and a reversed L-leg rotated through granular media with better accuracy than using simple one-dimensional penetration and drag force models. A multi-body dynamic simulation using the resistive force model predicts the speeds of a small legged robot (15 cm, 150 g) moving on granular media using both L-legs and reversed L-legs.
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