arXiv subjects

Richard M. Lueptow

Publications and source records attributed to Richard M. Lueptow.

At least 37 records · Page 2Linked to original sources

arXiv2019

Identifying Invariant Ergodic Subsets and Barriers to Mixing by Cutting and Shuffling: Study in a Bi-rotated Hemisphere

Mixing by cutting-and-shuffling can be mathematically described by the dynamics of piecewise isometries (PWIs), higher dimensional analogs of one-dimensional interval exchange transformations. In a two-dimensional domain under a PWI, the exceptional set, $\bar{E}$, which is created by the accumulation of cutting lines (the union of all iterates of cutting lines and all points that pass arbitrarily close to a cutting line), defines where mixing is possible but not guaranteed. There is structure within $\bar{E}$ that directly influences the mixing potential of the PWI. Here we provide new computational and analytical formalisms for examining this structure by way of measuring the density and connectivity of $\varepsilon$-fattened cutting lines that form an approximation of $\bar{E}$. For the example of a PWI on a hemispherical shell studied here, this approach reveals the subtle mixing behaviors and barriers to mixing formed by invariant ergodic subsets (confined orbits) within the fractal structure of the exceptional set. Some PWIs on the shell have provably non-ergodic exceptional sets, which prevent mixing, while others have potentially ergodic exceptional sets where mixing is possible since ergodic exceptional sets have uniform cutting line density. For these latter exceptional sets, we show the connectivity of orbits in the PWI map through direct examination of orbit position and shape and through a two-dimensional return plot to explain the necessity of orbit connectivity for mixing.

math.DS↗

arXiv2019

Modified Archimedes' principle predicts rising and sinking of intruders in sheared granular flows

We computationally determine the force on single spherical intruder particles in sheared granular flows as a function of particle size, particle density, shear rate, overburden pressure, and gravitational acceleration. The force scales similarly to, but deviates from, the buoyancy force predicted by Archimedes' principle. The deviation depends only on the intruder to bed particle size ratio, but not the density ratio or flow conditions. We propose a simple force model that successfully predicts whether intruders rise or sink, knowing only the size and density ratios, for a variety of flow configurations in physical experiments.

cond-mat.soft↗

arXiv2019

Cutting and shuffling a hemisphere: non-orthogonal axes

We examine the dynamics of cutting-and-shuffling a hemispherical shell driven by alternate rotation about two horizontal axes using the framework of piecewise isometry (PWI) theory. Previous restrictions on how the domain is cut-and-shuffled are relaxed to allow for non-orthogonal rotation axes, adding a new degree of freedom to the PWI. A new computational method for efficiently executing the cutting-and-shuffling using parallel processing allows for extensive parameter sweeps and investigations of mixing protocols that produce a low degree of mixing. Non-orthogonal rotation axes break some of the symmetries that produce poor mixing with orthogonal axes and increase the overall degree of mixing on average. Arnold tongues arising from rational ratios of rotation angles and their intersections, as in the orthogonal axes case, are responsible for many protocols with low degrees of mixing in the non-orthogonal-axes parameter space. Arnold tongue intersections along a fundamental symmetry plane of the system reveal a new and unexpected class of protocols whose dynamics are periodic, with exceptional sets forming polygonal tilings of the hemispherical shell.

math.DS↗

arXiv2019

Pattern formation in a fully-3D segregating granular flow

Segregation patterns of size-bidisperse particle mixtures in a fully-three-dimensional flow produced by alternately rotating a spherical tumbler about two perpendicular axes are studied over a range of particle sizes and volume ratios using both experiments and a continuum model. Pattern formation results from the interaction of size segregation with chaotic regions and non-mixing islands of the flow. Specifically, large particles in the flowing surface layer are preferentially deposited in non-mixing islands despite the effects of collisional diffusion and chaotic transport. The protocol-dependent structure of the unstable manifolds of the flow surrounding the non-mixing islands provides further insight into why certain segregation patterns are more robust than others.

cond-mat.soft↗

arXiv2018

Diffusion, mixing, and segregation in confined granular flows

Discrete element method simulations of confined bidisperse granular shear flows elucidate the balance between diffusion and segregation that can lead to either mixed or segregated states, depending on confining pressure. Results indicate that the collisional diffusion is essentially independent of overburden pressure. Because the rate of segregation diminishes with overburden pressure, the tendency for particles to segregate weakens relative to the re-mixing of particles due to collisional diffusion as the overburden pressure increases. Using a continuum approach that includes a pressure dependent segregation velocity and a pressure independent diffusion coefficient, the interplay between diffusion and segregation is accurately predicted for both size and density bidisperse mixtures over a wide range of flow conditions when compared to simulation results. Additional simulations with initially segregated conditions demonstrate that applying a high enough overburden pressure can suppress segregation to the point that collisional diffusion mixes the segregated particles.

cond-mat.soft↗

arXiv2018

Asymmetric concentration dependence of segregation fluxes in granular flows

We characterize the local concentration dependence of segregation velocity and segregation flux in both size and density bidisperse gravity-driven free-surface granular flows as a function of the particle size ratio and density ratio, respectively, using discrete element method (DEM) simulations. For a range of particle size ratios and inlet volume flow rates in size-bidisperse flows, the maximum segregation flux occurs at a small particle concentration less than 0.5, which decreases with increasing particle size ratio. The segregation flux increases up to a size ratio of 2.4 but plateaus from there to a size ratio of 3. In density bidisperse flows, the segregation flux is greatest at a heavy particle concentration less than 0.5 which decreases with increasing particle density ratio. The segregation flux increases with increasing density ratio for the extent of density ratios studied, up to 10. We further demonstrate that the simulation results for size driven segregation are in accord with the predictions of the kinetic sieving segregation model of Savage and Lun.

physics.flu-dyn↗

arXiv2018

Unsteady flows and inhomogeneous packing in damp granular heap flows

We experimentally study the transition from steady flow to unsteady flow in a quasi-2D granular heap when small amounts of water are added to monodisperse glass spheres. Particles flow uniformly down both sides of the heap for low water content, but unsteady flow occurs as the water content increases. The unsteady flow mode consists of a non-depositing downslope avalanche and an upslope propagating granular jump. The transition from steady to unsteady flow occurs when the slope exceeds a critical angle as a result of water-induced cohesion. Under unsteady flow conditions, the deposited heap consists of loosely packed and densely packed layers, the formation of which is closely related to the unsteady flow dynamics.

cond-mat.soft↗

arXiv2018

Optimized mixing by cutting-and-shuffling

Mixing by cutting-and-shuffling can be understood and predicted using dynamical systems based tools and techniques. In existing studies, mixing is generated by maps that repeat the same cut-and-shuffle process at every iteration, in a "fixed" manner. However, mixing can be greatly improved by varying the cut-and-shuffle parameters at each step, using a "variable" approach. To demonstrate this approach, we show how to optimize mixing by cutting-and-shuffling on the one-dimensional line interval, known as an interval exchange transformation (IET). Mixing can be significantly improved by optimizing variable protocols, especially for initial conditions more complex than just a simple two-color line interval. While we show that optimal variable IETs can be found analytically for arbitrary numbers of iterations, for more complex cutting-and-shuffling systems, computationally expensive numerical optimization methods would be required. Furthermore, the number of control parameters grows linearly with the number of iterations in variable systems. Therefore, optimizing over large numbers of iterations is generally computationally prohibitive. We demonstrate an ad hoc approach to cutting-and-shuffling that is computationally inexpensive and guarantees the mixing metric is within a constant factor of the optimum. This ad hoc approach yields significantly better mixing than fixed IETs which are known to produce weak-mixing, because cut pieces never reconnect. The heuristic principles of this method can be applied to more general cutting-and-shuffling systems.

math.DS↗

arXiv2017

Mixing and transport from combined stretching-and-folding and cutting-and-shuffling

While structures and bifurcations controlling tracer particle transport and mixing have been studied extensively for systems with only stretching-and-folding, and to a lesser extent for systems with only cutting-and-shuffling, few studies have considered systems with a combination of both. We demonstrate two bifurcations for non-mixing islands associated with elliptic periodic points that only occur in systems with combined cutting-and-shuffling and stretching-and-folding, using as an example a map approximating biaxial rotation of a less-than-half-full spherical granular tumbler. First, we characterize a bifurcation of elliptic island containment, from containment by manifolds associated with hyperbolic periodic points to containment by cutting line tangency. As a result, the maximum size of the non-mixing region occurs when the island is at the bifurcation point. We also demonstrate a bifurcation where periodic points are annihilated by the cutting-and-shuffling action. Chains of elliptic and hyperbolic periodic points that arise when invariant tori surrounding an elliptic point break up [according to Kolmogorov-Arnold-Moser (KAM) theory] can annihilate when they meet a cutting line. Consequently, the Poincaré index (a topological invariant of smooth systems) is not preserved.

nlin.CD↗

arXiv2017

Transient response in granular quasi-2D bounded heap flow

We study the transition between steady flows of non-cohesive granular materials in quasi-2D bounded heaps by suddenly changing the feed rate. In both experiments and simulations, the primary feature of the transition is a wedge of flowing particles that propagates downstream over the rising free surface with a wedge front velocity inversely proportional to the square root of time. An additional longer duration transient process continues after the wedge front reaches the downstream wall. The entire transition is well modeled as a moving boundary problem with a diffusion-like equation derived from local mass balance and a local relation between the flux and the surface slope.

physics.flu-dyn↗

arXiv2017

Persistent structures in a 3D dynamical system with solid and fluid regions

Remarkably persistent mixing and non-mixing regions (islands) are observed to coexist in a three-dimensional dynamical system where randomness is expected. The track of an x-ray opaque particle in a spherical shell half-filled with dry non-cohesive particles and periodically rotated about two axes reveals interspersed structures that are spatially complex and vary non-trivially with the rotation angles. The geometric skeleton of the structures forms from the subtle interplay between fluid-like mixing by stretching-and-folding, and solids mixing by cutting-and-shuffling, which is described by the mathematics of piecewise isometries. In the physical system, larger islands predicted by the cutting-and-shuffling model alone can persist despite the presence of stretching-and-folding flows and particle-collision-driven diffusion, while predicted smaller islands are not observed. By uncovering the synergy of simultaneous fluid and solid mixing, we point the way to a more fundamental understanding of advection driven mixing in materials with both solid and flowing regions.

cond-mat.soft↗

arXiv2016

Dynamics of water and solute transport in polymeric reverse osmosis membranes via molecular dynamics simulations

The Angstrom-scale transport characteristics of water and six different solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polyamide reverse osmosis (RO) membrane, FT-30, using non-equilibrium molecular dynamics (NEMD) simulations. Results indicate that water transport increases with an increasing fraction of connected percolated free volume, or water-accessible open space, in the membrane polymer structure. This free volume is enhanced by the dynamic structure of the membrane at the molecular level as it swells when hydrated and vibrates due to molecular collisions allowing a continuous path connecting the opposite membrane surfaces. The tortuous paths available for transport of solutes result in Brownian motion of solute molecules and hopping from pore to pore as they pass through the polymer network structure of the membrane. The transport of alcohol solutes decreases for solutes with larger Van der Waals volume, which corresponds to less available percolated free volume, or solute-accessible space, within the membrane polymer structure. However, the Van der Waals size of the dehydrated solutes is generally not a good measure to predict solute transport or rejection. Urea has reduced transport compared to ethanol, most likely due to more complex chemistry, even though urea has a smaller Van der Waals volume than ethanol. Na+ and Cl- experience the lowest transport, likely due to strong ion-water and ion-ion electrostatic interactions.

physics.comp-ph↗

arXiv2016

Rejection mechanisms for contaminants in polymeric reverse osmosis membranes

Despite the success of reverse osmosis (RO) for water purification, the molecular-level physico-chemical processes of contaminant rejection are not well understood. Here we carry out NEMD simulations on a model polyamide RO membrane to understand the mechanisms of transport and rejection of both ionic and neutral contaminants in water. We observe that the rejection changes non-monotonously with ion sizes. In particular, the rejection of urea, 2.4 A radius, is higher than ethanol, 2.6 A radius, and the rejections for organic solutes, 2.2-2.8 A radius, are lower than Na+, 1.4 A radius, or Cl-, 2.3 A radius. We show that this can be explained in terms of the solute accessible intermolecular volume in the membrane and the solute-water pair interaction energy. If the smallest open spaces in the membrane's molecular structure are all larger than the hydrated solute, then the solute-water pair interaction energy does not matter. However, when the open spaces in the polymeric structure are such that solutes have to shed at least one water molecule to pass through a portion of the membrane molecular structure, the pair interaction energy governs solute rejection. The high pair interaction energy for water molecules in the solvation shell for ions makes the water molecules difficult to shed, thus enhancing the rejection of ions. On the other hand, the organic solute-water interaction energies are governed by the water molecules that are hydrogen bonded to the solute. Urea molecules have more hydrogen-bonding sites than alcohol molecules, leading to a higher rejection of urea than occurs for ethanol, a molecule of similar size but with fewer hydrogen bonding sites. These findings underline the importance of the solute's solvation shell and solute-water-membrane chemistry in the context of reverse osmosis, thus providing new insights into solute transport and rejection in RO membranes.

physics.chem-ph↗

arXiv2015

Influence of Rough and Smooth Walls on Macroscale Flows in Tumblers

Walls in discrete element method simulations of granular flows are sometimes modeled as a closely packed monolayer of fixed particles, resulting in a rough wall rather than a geometrically smooth wall. An implicit assumption is that the resulting rough wall differs from a smooth wall only locally at the particle scale. Here we test this assumption by considering the impact of the wall roughness at the periphery of the flowing layer on the flow of monodisperse particles in a rotating spherical tumbler. We find that varying the wall roughness significantly alters average particle trajectories even far from the wall. Rough walls induce greater poleward axial drift of particles near the flowing layer surface, but decrease the curvature of the trajectories. Increasing the volume fill level in the tumbler has little effect on the axial drift for rough walls, but increases the drift while reducing curvature of the particle trajectories for smooth walls. The mechanism for these effects is related to the degree of local slip at the bounding wall, which alters the flowing layer thickness near the walls, affecting the particle trajectories even far from the walls near the equator of the tumbler. Thus, the proper choice of wall conditions is important in the accurate simulation of granular flows, even far from the bounding wall.

cond-mat.soft↗

arXiv2015

Influence of Rough and Smooth Walls on Macroscale Granular Segregation Patterns

Size bidisperse granular materials in a spherical tumbler segregate into two different patterns of three bands with either small particles at the equator and large particles at the poles or vice versa, depending upon the fill level in the tumbler. Here we use discrete element method (DEM) simulations with supporting qualitative experiments to explore the effect of the tumbler wall roughness on the segregation pattern, modeling the tumbler walls as either a closely packed monolayer of fixed particles resulting in a rough wall, or as a geometrically smooth wall. Even though the tumbler wall is in contact with the flowing layer only at its periphery, the impact of wall roughness is profound. Smooth walls tend toward a small-large-small (SLS) band pattern at the pole-equator-pole at all but the highest fill fractions; rough walls tend toward a large-small-large (LSL) band pattern at all but the lowest fill fractions. This comes about because smooth walls induce poleward axial drift of small particles and an equator-directed drift for large particles, resulting in an SLS band pattern. On the other hand, rough walls result in both sizes of particles moving poleward at the surface of the flow, but due to radial segregation, small particles percolate lower in the flowing layer where there is a return drift toward the equator while large particles remain at the surface near the pole, resulting in an LSL band pattern. The tendency toward either of the two band patterns depends on the fill level in the tumbler and the roughness of the tumbler's bounding wall.

cond-mat.soft↗

arXiv2015

A Parametric Study of Mixing in a Granular Flow a Bi-Axial Spherical Tumbler

We report on a computational parameter space study of mixing protocols for a half-full bi-axial spherical granular tumbler. The quality of mixing is quantified via the intensity of segregation (concentration variance) and computed as a function of three system parameters: angles of rotation about each tumbler axis and the flowing layer depth. Only the symmetric case is considered in which the flowing layer depth is the same for each rotation. We also consider the dependence on $\bar{R}$, which parametrizes the concentric spheroids ("shells") that comprise the volume of the tumbler. The intensity of segregation is computed over 100 periods of the mixing protocol for each choice of parameters. Each curve is classified via a time constant, $τ$, and an asymptotic mixing value, $bias$. We find that most choices of angles and most shells throughout the tumbler volume mix well, with mixing near the center of the tumbler being consistently faster (small $τ$) and more complete (small $bias$). We conclude with examples and discussion of the pathological mixing behaviors of the outliers in the so-called $τ$-$bias$ scatterplots.

physics.flu-dyn↗

arXiv2014

A Study in Three-Dimensional Chaotic Dynamics: Granular Flow and Transport in a Bi-Axial Spherical Tumbler

We study 3D chaotic dynamics through an analysis of transport in a granular flow in a half-full spherical tumbler rotated sequentially about two orthogonal axes (a bi-axial "blinking" tumbler). The flow is essentially quasi-2D in any vertical slice of the sphere during rotation about a single axis, and we provide an explicit exact solution to the model in this case. Hence, the cross-sectional flow can be represented by a twist map, allowing us to express the 3D flow as a linked twist map (LTM). We prove that if the rates of rotation about each axis are equal, then (in the absence of stochasticity) particle trajectories are restricted to 2D surfaces consisting of a portion of a hemispherical shell closed by a "cap"; if the rotation rates are unequal, then particles can leave the surface they start on and traverse a volume of the tumbler. The period-one structures of the governing LTM are examined in detail: analytical expressions are provided for the location of period-one curves, their extent into the bulk of the granular material, and their dependence on the protocol parameters (rates and durations of rotations). Exploiting the restriction of trajectories to 2D surfaces in the case of equal rotation rates about the axes, a method is proposed for identifying and constructing 3D Kolmogorov-Arnold-Moser (KAM) tubes around the normally elliptic period-one curves. The invariant manifold structure arising from the normally hyperbolic period-one curves is also examined. When the motion is restricted to 2D surfaces, the structure of manifolds of the hyperbolic points in the bulk differs from that corresponding to hyperbolic points in the flowing layer. Each is reminiscent of a template provided by a non-integrable perturbation to a Hamiltonian system, though the governing LTM is not. This highlights the novel 3D chaotic behaviors observed in this model dynamical system.

math.DS↗

arXiv2014

Modeling size segregation of granular materials: the roles of segregation, advection and diffusion

Predicting segregation of granular materials composed of different-sized particles is a challenging problem. In this paper, we develop and implement a theoretical model that captures the interplay between advection, segregation, and diffusion in size bidisperse granular materials. The fluxes associated with these three driving factors depend on the underlying kinematics, whose characteristics play key roles in determining particle segregation configurations. Unlike previous models for segregation, our model uses parameters based on kinematic measures from discrete element method simulations instead of arbitrarily adjustable fitting parameters, and it achieves excellent quantitative agreement with both experimental and simulation results when applied to quasi-two-dimensional bounded heaps. The model yields two dimensionless control parameters, both of which are only functions of physically control parameters (feed rate, particle sizes, and system size) and kinematic parameters (diffusion coefficient, flowing layer depth, and percolation velocity). The Péclet number, $Pe$, captures the interplay of advection and diffusion, and the second dimensionless parameter, $Λ$, describes the interplay between segregation and advection. A parametric study of $Λ$ and $Pe$ demonstrates how the particle segregation configuration depends on the interplay of advection, segregation, and diffusion. The model can be readily adapted to other flow geometries.

physics.flu-dyn↗