A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite interactions gives rise to a rich configurational dynamics of the density field, exhibiting many features of disordered liquid dispersions (micro-emulsions) and soft-glassy materials, such as long-time relaxation due to caging effects, anomalous enhanced viscosity, ageing effects under moderate shear and flow above a critical shear rate.
We propose a mesoscopic model of binary fluid mixtures with tunable viscosity ratio based on a two-range pseudo-potential lattice Boltzmann method, for the simulation of soft flowing systems. In addition to the short range repulsive interaction between species in the classical single-range model, a competing mechanism between the short-range attractive and mid-range repulsive interactions is imposed within each species. Besides extending the range of attainable surface tension as compared with the single-range model, the proposed scheme is also shown to achieve a positive disjoining pressure, …
A multi-component lattice Boltzmann model recently introduced (R. Benzi et al. Phys. Rev. Lett 102, 026002 (2009)) to describe some dynamical behaviors of soft-flowing materials is theoretically analyzed. Equilibrium and transport properties are derived within the framework of a continuum free-energy formulation, and checked against numerical simulations. Due to the competition between short-range inter-species repulsion and mid-range intra-species attraction, the model is shown to give rise to a very rich configurational dynamics of the density field, exhibiting numerous features of soft-flow…
The study of the underlying physics of soft flowing materials depends heavily on numerical simulations, due to the complex structure of the governing equations reflecting the competition of concurrent mechanisms acting at widely disparate scales in space and time. A full-scale computational modelling remains a formidable challenge since it amounts to simultaneously handle six or more spatial decades in space and twice as many in time. Coarse-grained methods often provide a viable strategy to significantly mitigate this issue, through the implementation of mesoscale supramolecular forces design…
We provide a clear evidence that a two species mesoscopic Lattice Boltzmann (LB) model with competing short-range attractive and mid-range repulsive interactions supports emergent Herschel-Bulkley (HB) rheology, i.e. a power-law dependence of the shear-stress as a function of the strain rate, beyond a given yield-stress threshold. This kinetic formulation supports a seamless transition from flowing to non-flowing behaviour, through a smooth tuning of the parameters governing the mesoscopic interactions between the two species. The present model may become a valuable computational tool for the …
We introduce a mesoscopic three-dimensional Lattice Boltzmann Model which attempts to mimick the physical features associated with cage effects in dynamically heterogeneous fluids. To this purpose, we extend the standard Lattice Boltzmann dynamics with self-consistent constraints based on the non-local density of the surrounding fluid. The resulting dynamics exhibits typical features of dynamic heterogeneous fluids, such as non-Gaussian density distributions and long-time relaxation. Due to its intrinsically parallel dynamics, and absence of statistical noise, the method is expected to compute…
By means of mesoscopic numerical simulations of a model soft-glassy material, we investigate the role of boundary roughness on the flow behaviour of the material, probing the bulk/wall and global/local rheologies. We show that the roughness reduces the wall slip induced by wettability properties and acts as a source of fluidisation for the material. A direct inspection of the plastic events suggests that their rate of occurrence grows with the fluidity field, reconciling our simulations with kinetic elasto-plastic descriptions of jammed materials. Notwithstanding, we observe qualitative and qu…
This study proposes a coherent scenario of the formation of permanent shear bands in the flow of yield stress materials. It is a well accepted point of view that flow in disordered media is occurring via local plastic events, corresponding to small size rearrangements, that yield a long range stress redistribution over the system. Within a minimalistic mesoscopic model that incorporates these local dynamics, we study the spatial organisation of the local plastic events. The most important parameter in this study is the typical restructuring time needed to regain the original structure after a …
A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a BGK collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute interactions are implemented using a pseudopotential model. The Nernst-Planck equation, describing the kinetics of dissolved ion species, is solved using a finite difference discretization based on the link-flux method. The colloids are resolved on the lattice and coupled to the hydrodynamics and electrokinetics thr…
We study the Poiseuille flow of a soft-glassy material above the jamming point, where the material flows like a complex fluid with Herschel- Bulkley rheology. Microscopic plastic rearrangements and the emergence of their spatial correlations induce cooperativity flow behavior whose effect is pronounced in presence of confinement. With the help of lattice Boltzmann numerical simulations of confined dense emulsions, we explore the role of geometrical roughness in providing activation of plastic events close to the boundaries. We probe also the spatial configuration of the fluidity field, a conti…
Polycrystals are partially ordered solids where crystalline order extends over mesoscopic length scales, namely, the grain size. We study the Poisuielle flow of such materials in a rough channel. In general, similar to yield stress fluids, three distinct dynamical states, namely, flowing, stick-slip and jammed can be observed, with a yield threshold dependent on channel width. Importantly, the interplay between the finite channel width, and the intrinsic ordering scale (the grain size) leads to new type of spatiotemporal heterogeneity. In wide channels, although the average flow profile remain…
We present a lattice Boltzmann model to describe the spreading of droplets on topologically patterned substrates. We apply it to model superhydrophobic behaviour on surfaces covered by an array of micron-scale posts. We find that the patterning results in a substantial increase in contact angle, from $110^o$ to $156^o$.
A lattice Boltzmann (LB) scheme is described which recovers the equations developed by Qian--Sheng for the hydrodynamics of a nematic liquid crystal with a tensor order parameter. The standard mesoscopic LB scalar density is generalised to a tensor quantity and the macroscopic momentum, density and tensor order parameter are recovered from appropriate moments of this mesoscopic density. A single lattice Boltzmann equation is used with a direction dependent BGK collision term, with additional forcing terms to recover the antisymmetric terms in the stress tensor. A Chapman Enskog analysis is pre…
A method is described for embedding a deformable, elastic, membrane within a lattice Boltzmann fluid. The membrane is represented by a set of massless points which advect with the fluid and which impose forces on the fluid which are derived from a free energy functional with a value which is dependent upon the geometric properties of the membrane. The method is validated in two dimensions with a free energy functional which imposes the constraint of constant membrane length, constant enclosed area, a bending rigidity and a preferred curvature. The method is shown to recover the expected equili…
We report the first results of our three-dimensional, mesoscopic, amphiphilic lattice-Boltzmann model, which has been used to simulate the dynamics of self-assembly of ordered cubic and lamellar phases in binary water-surfactant systems. Our results provide insight into the mechanism of ordering of such mesophases in terms of various molecular forces acting between water and surfactant molecules and the mechanism driving the transition from the lamellar to the cubic phase.
The deformability of soft condensed matter often requires modelling of hydrodynamical aspects to gain quantitative understanding. This, however, requires specialised methods that can resolve the multiscale nature of soft matter systems. We review a number of the most popular simulation methods that have emerged, such as Langevin dynamics, dissipative particle dynamics, multi-particle collision dynamics, sometimes also referred to as stochastic rotation dynamics, and the lattice-Boltzmann method. We conclude this review with a short glance at current compute architectures for high-performance c…
The lattice Boltzmann algorithm efficiently simulates the Navier Stokes equation of isothermal fluid flow, but ignores thermal fluctuations of the fluid, important in mesoscopic flows. We show how to adapt the algorithm to include noise, satisfying a fluctuation-dissipation theorem (FDT) directly at lattice level: this gives correct fluctuations for mass and momentum densities, and for stresses, at all wavevectors $k$. Unlike previous work, which recovers FDT only as $k\to 0$, our algorithm offers full statistical mechanical consistency in mesoscale simulations of, e.g., fluctuating colloidal …
Soft particles suspended in fluids flowing through microchannels are often encountered in biological flows such as cells in vessels. They can deform under flow or when subject to mechanical stresses as they interact with themselves. Deformability adds distinct characteristics to the nature of the flow of these particles. We simulate deformable particles suspended in a fluid at a high volume fraction flowing through a 3D wetting channel. We find a discontinuous shear thinning transition, which depends on the particle deformability. The capillary number is the main parameter that controls the tr…
By solving the Young Laplace equation of capillary hydrostatics one can accurately determine equilibrium shapes of droplets on relatively smooth solid surfaces. The solution, however of the Young Laplace equation becomes tricky when a droplet is sitting on a geometrically patterned surface and multiple, and unknown a priori, three phase contact lines have not been accounted for, since air pockets are trapped beneath the liquid droplet. In this work, we propose an augmented Young-Laplace equation, in which a unified formulation for the liquid/vapor and liquid/solid interfaces is adopted, incorp…
We study scaling laws characterizing the inter-diffusive zone between two miscible fluids flowing side by side in a Y-shape laminar micromixer using the lattice Boltzmann method. The lattice Boltzmann method solves the coupled 3D hydrodynamics and mass transfer equations and incorporates intrinsic features of 3D flows related to this problem. We observe the different power law regimes occurring at the center of the channel and close to the top/bottom wall. The extent of the inter-diffusive zone scales as square root of the axial distance at the center of the channel. At the top/bottom wall, we…
We introduce a novel mesoscopic computational model based on a multiphase-multicomponent lattice Boltzmann method for the simulation of self-phoretic particles in the presence of liquid-liquid interfaces. Our model features fully resolved solvent hydrodynamics and, thanks to its versatility, it can handle important aspects of the multiphysics of the problem, including particle wettability and differential solubility of the product in the two liquid phases. The method is extensively validated in simple numerical experiments, whose outcome is theoretically predictable, and then applied to the st…
Istituto per le Applicazioni del Calcolo CNR（意大利国家研究委员会计算应用研究所）；Roma Tre University（罗马第三大学）；INFN ”Tor Vergata”（意大利国家核物理研究所托尔维尔加塔分部）；Department of Physics, Harvard University（哈佛大学物理系）
Contact angle is an essential characteristic in wetting, capillarity and moving contact line; however, although contact angle phenomena are effectively simulated, an accurate and real-time measurement for contact angle has not been well studied in computational fluid dynamics, especially in dynamic environments. Here, we design a geometry-based mesoscopic scheme to onthesport measure the contact angle in the lattice Boltzmann method. The computational results without gravity effect are in excellent agreement with the benchmarks from the spherical cap method. The qualities of the scheme are fur…
In this paper, we aim to address an important issue about the pseudopotential lattice Boltzmann (LB) model, which has attracted much attention as a mesoscopic model for simulating interfacial dynamics of complex fluids, but suffers from the problem that the surface tension cannot be tuned independently of the density ratio. In the literature, a multi-range potential was devised to adjust the surface tension [Sbragaglia et al., Phys. Rev. E 75, 026702 (2007)]. However, it was recently found that the density ratio of the system will be changed when the multi-range potential is employed to adjust…
In this paper, we aim to investigate the implementation of contact angles in the pseudopotential lattice Boltzmann modeling of wetting at a large density ratio. The pseudopotential lattice Boltzmann model [X. Shan and H. Chen, Phys. Rev. E 49, 2941 (1994)] is a popular mesoscopic model for simulating multiphase flows and interfacial dynamics. In this model, the contact angle is usually realized by a fluid-solid interaction. Two widely used fluid-solid interactions: the density-based interaction and the pseudopotential-based interaction, as well as a modified pseudopotential-based interaction f…
X-ray Photon Correlation Spectroscopy (XPCS) has emerged as a unique technique allowing the measurement of dynamics in materials on mesoscopic lengthscales. In particular, applications in soft matter physics cover a broad range of topics which include, but are not limited to, nanostructured materials such as colloidal suspensions or polymers, dynamics at liquid surfaces, membranes and interfaces, and the glass or gel transition. One of the most common problems associated with the use of bright X-ray beams with soft materials is beam induced radiation damage, and this is likely to become an eve…
