arXiv subjects

Sarah Hormozi

Publications and source records attributed to Sarah Hormozi.

10 recordsLinked to original sources

arXiv2026

Using graph neural networks to predict many-body interactions in amorphous materials

Many-body interactions govern the complex behavior of many amorphous materials, from metallic glasses to biological tissues, yet are often replaced by pairwise additive frameworks for computational efficiency. Here, we use classical density functional theory (DFT) to study a model soft glass of solvent-free polymer-grafted nanoparticles (PGNs), where the absence of solvent forces grafted chains to uniformly fill the interstitial space, generating strong angular-dependent many-body interactions between the cores. We show that NequIP, an equivariant message-passing graph neural network (GNN), learns the high-dimensional, rugged potential energy landscape of the system and reproduces classical DFT energies across a range of PGN design parameters at four orders of magnitude lower cost. Systematic analysis of GNN hyperparameters offers physical insights into the range, anisotropy, and effective body order of interactions. GNN-driven Monte Carlo simulations reveal locally favored icosahedral-like structures at equilibrium, and strikingly, recover equilibrium structures in agreement with experiments, despite the network being trained only on high-energy, out-of-equilibrium configurations.

cond-mat.dis-nn↗

arXiv2026

Simulating the swimming motion of a flagellated bacterium in a microstructured bio-fluid

We develop a numerical framework to simulate the locomotion of a flagellated bacterium with a spheroidal head (such as Escherichia coli) in biological fluids like mucus, which are entangled polymer solutions exhibiting elasto-viscoplastic (EVP) rheology and porous microstructure. To account for the scale disparity between the large bacterial head and the slender flagellar bundle, whose thickness is comparable to the pore size, we employ a two-fluid model in which the bundle directly drives the solvent and exchanges momentum with the polymer phase via drag proportional to their relative velocity. The numerical implementation combines a finite-difference discretization of the two-fluid equations with a slender-body theory (SBT) to model flagellar forcing. A key observation is that the coupled mass and momentum equations for these inertialess flows, together with SBT, are linear in the pressure and velocity fields and in the force distribution along the flagellar bundle. By treating the polymer stress as a body force, we decompose the flow field and hydrodynamic moments into three additive contributions: kinematic (motion), flagellar forcing, and polymer stress. This decomposition allows several components of the flow to be precomputed and enables the determination of swimming velocity via a resistivity formulation driven by polymer-induced forces, which greatly improves computational efficiency during transient calculations of the polymer stress and the resulting flow. We validate the method and use it to analyze how polymer microstructure and its interactions with the bacterial head and tail affect motility in complex biofluids.

physics.flu-dyn↗

arXiv2024

Criticality of the viscous to inertial transition near jamming in non-Brownian suspensions

In this work, we use a Discrete Element Method (DEM) to explore the viscous to inertial shear thickening transition of dense frictionless non-Brownian suspensions close to jamming. This transition is characterized by a change in the steady state rheology of a suspension with increasing shear rate ($\dot{\gamma}$), from a regime of constant viscosity at low shear rates to a regime where the viscosity varies linearly with the shear rate. Through our numerical simulations, we show that the characteristic shear rate associated with this transition depends sensitively on the volume fraction ($\phi$) of the suspension and that it goes to zero as we approach the jamming volume fraction ($\phi_m$) for the system. By attributing the criticality of this transition to a diverging length scale of the microstructure as $\phi \rightarrow \phi_m$, we use a scaling framework to achieve a collapse of the rheological data associated with the viscous to inertial transition. A series of tests conducted on the system size dependence of the rheological results is used to show the existence of this microstructural length-scale that diverges as the suspension approaches jamming and its role in triggering the viscous to inertial transition.

cond-mat.soft↗

arXiv2024

A swimming bacterium in a two-fluid model of a polymer solution

We analyse the motion of a flagellated bacterium in a two-fluid medium using slender body theory. The two-fluid model is useful for describing a body moving through a complex fluid with a microstructure whose length scale is comparable to the characteristic scale of the body. This is true for bacterial motion in biological fluids (entangled polymer solutions), where the entanglement results in a porous microstructure with typical pore diameters comparable to or larger than the flagellar bundle diameter but smaller than the diameter of the bacterial head. Thus the polymer and solvent satisfy different boundary conditions on the flagellar bundle and move with different velocities close to it. This gives rise to a screening length $L_B$ within which the fluids exchange momentum and the relative velocity between the two fluids decays. In this work, both the solvent and polymer of the two-fluid medium are modeled as Newtonian fluids with different viscosities $\mu_s$ and $\mu_p$ (viscosity ratio $\lambda = \mu_p/\mu_s$), thereby capturing the effects solely introduced by the microstructure of the complex fluid. From our calculations, we observe an increased drag anisotropy for a rigid, slender flagellar bundle moving through this two-fluid medium, resulting in an enhanced swimming velocity of the organism. The results are sensitive to the interaction between the bundle and the polymer and we discuss two physical scenarios corresponding to two types of interaction. Our model provides an explanation for the experimentally observed enhancement of swimming velocity of bacteria in entangled polymer solutions and motivates further experimental investigations.

physics.flu-dyn↗

arXiv2021

Perspectives on viscoelastic flow instabilities and elastic turbulence

Viscoelastic fluids are a common subclass of rheologically complex materials that are encountered in diverse fields from biology to polymer processing. Often the flows of viscoelastic fluids are unstable in situations where ordinary Newtonian fluids are stable, owing to the nonlinear coupling of the elastic and viscous stresses. Perhaps more surprisingly, the instabilities produce flows with the hallmarks of turbulence -- even though the effective Reynolds numbers may be $O(1)$ or smaller. We provide perspectives on viscoelastic flow instabilities by integrating the input from speakers at a recent international workshop: historical remarks, characterization of fluids and flows, discussion of experimental and simulation tools, and modern questions and puzzles that motivate further studies of this fascinating subject. The materials here will be useful for researchers and educators alike, especially as the subject continues to evolve in both fundamental understanding and applications in engineering and the sciences.

physics.flu-dyn↗

arXiv2020

Numerical simulations of a sphere settling in simple shear flows of yield stress fluids

We perform $3$D numerical simulations to investigate the sedimentation of a single sphere in the absence and presence of a simple cross shear flow in a yield stress fluid with weak inertia. In our simulations, the settling flow is considered to be the primary flow, whereas the linear cross shear flow is a secondary flow with amplitude $10\%$ of the primary flow. To study the effects of elasticity and plasticity of the carrying fluid on the sphere drag as well as the flow dynamics, the fluid is modeled using the elastovisco-plastic (EVP) constitutive laws proposed by \cite{saramito2009new}. The extra non-Newtonian stress tensor is fully coupled with the flow equation and the solid particle is represented by an immersed boundary (IB) method. Our results show that the fore-aft asymmetry in the velocity is less pronounced and the negative wake disappears when a linear cross shear flow is applied. We find that the drag on a sphere settling in a sheared yield stress fluid is reduced significantly as compared to an otherwise quiescent fluid. More importantly, the sphere drag in the presence of a secondary cross shear flow cannot be derived from the pure sedimentation drag law owing to the non-linear coupling between the simple shear flow and the uniform flow. Finally, we show that the drag on the sphere settling in a sheared yield-stress fluid is reduced at higher material elasticity mainly due to the form and viscous drag reduction.

physics.flu-dyn↗

arXiv2019

Fully developed and transient concentration profiles of particulate suspensions sheared in a cylindrical Couette

We experimentally investigate particle migration in a non-Brownian suspension sheared in a Taylor-Couette configuration and in the limit of vanishing Reynolds number. Highly resolved index-matching techniques are used to measure the local particulate volume fraction. In this wide-gap Taylor-Couette configuration, we find that for a large range of bulk volume fraction, $ϕ_b \in [20\% - 50\%]$, the fully developed concentration profiles are well predicted by the suspension balance model of Nott \& Brady (J. Fluid Mech., vol. 275, 1994, pp. 157-199). Moreover, we provide systematic measurements of the migration strain scale and of the migration amplitude which highlight the limits of the suspension balance model predictions.

cond-mat.soft↗

arXiv2018

Computational modeling of multiphase viscoelastic and elastoviscoplastic flows

In this paper, a three-dimensional numerical solver is developed for suspensions of rigid and soft particles and droplets in viscoelastic and elastoviscoplastic (EVP) fluids. The presented algorithm is designed to allow for the first time three-dimensional simulations of inertial and turbulent EVP fluids with a large number particles and droplets. This is achieved by combining fast and highly scalable methods such as an FFT-based pressure solver, with the evolution equation for non-Newtonian (including elastoviscoplastic) stresses. In this flexible computational framework, the fluid can be modelled by either Oldroyd-B, neo-Hookean, FENE-P, and Saramito EVP models, and the additional equations for the non-Newtonian stresses are fully coupled with the flow. The rigid particles are discretized on a moving Lagrangian grid while the flow equations are solved on a fixed Eulerian grid. The solid particles are represented by an Immersed Boundary method (IBM) with a computationally efficient direct forcing method allowing simulations of a large numbers of particles. The immersed boundary force is computed at the particle surface and then included in the momentum equations as a body force. The droplets and soft particles on the other hand are simulated in a fully Eulerian framework, the former with a level-set method to capture the moving interface and the latter with an indicator function. The solver is first validated for various benchmark single-phase and two-phase elastoviscoplastic flow problems through comparison with data from the literature. Finally, we present new results on the dynamics of a buoyancy-driven drop in an elastoviscoplastic fluid.

physics.flu-dyn↗

arXiv2018

Turbulent channel flow of an elastoviscoplastic fluid

We present numerical simulations of laminar and turbulent channel flow of an elastoviscoplastic fluid. The non-Newtonian flow is simulated by solving the full incompressible Navier-Stokes equations coupled with the evolution equation for the elastoviscoplastic stress tensor. The laminar simulations are carried out for a wide range of Reynolds numbers, Bingham numbers and ratios of the fluid and total viscosity, while the turbulent flow simulations are performed at a fixed bulk Reynolds number equal to 2800 and weak elasticity. We show that in the laminar flow regime the friction factor increases monotonically with the Bingham number (yield stress) and decreases with the viscosity ratio, while in the turbulent regime the the friction factor is almost independent of the viscosity ratio and decreases with the Bingham number, until the flow eventually returns to a fully laminar condition for large enough yield stresses. Three main regimes are found in the turbulent case, depending on the Bingham number: for low values, the friction Reynolds number and the turbulent flow statistics only slightly differ from those of a Newtonian fluid; for intermediate values of the Bingham number, the fluctuations increase and the inertial equilibrium range is lost. Finally, for higher values the flow completely laminarises. These different behaviors are associated with a progressive increases of the volume where the fluid is not yielded, growing from the centerline towards the walls as the Bingham number increases. The unyielded region interacts with the near-wall structures, forming preferentially above the high speed streaks. In particular, the near-wall streaks and the associated quasi-streamwise vortices are strongly enhanced in an highly elastoviscoplastic fluid and the flow becomes more correlated in the streamwise direction.

physics.flu-dyn↗

arXiv2017

Interface-resolved simulations of particle suspensions in Newtonian, shear thinning and shear thickening carrier fluids

We present a numerical study of noncolloidal spherical and rigid particles suspended in Newtonian, shear thinning and shear thickening fluids employing an Immersed Boundary Method. We consider a linear Couette configuration to explore a wide range of solid volume fractions ($0.1\le Φ\le 0.4$) and particle Reynolds Numbers ($0.1\le Re_p \le 10$). We report the distribution of solid and fluid phase velocity and solid volume fraction and show that close to the boundaries inertial effects result in a significant slip velocity between the solid and fluid phase. The local solid volume fraction profiles indicate particle layering close to the walls, which increases with the nominal $Φ$. This feature is associated with the confinement effects. We calculate the probability density function of local strain rates and compare their mean value with the values estimated from the homogenization theory of \cite{Chateau08}, indicating a reasonable agreement in the Stokesian regimes. Both the mean value and standard deviation of the local strain rates increase primarily with the solid volume fraction and secondarily with the $Re_p$. The wide spectrum of the local shear rate and its dependency on $Φ$ and $Re_p$ points to the deficiencies of the mean value of the local shear rates in estimating the rheology of these noncolloidal complex suspensions. Finally, we show that in the presence of inertia, the effective viscosity of these noncolloidal suspensions deviates from that of Stokesian suspensions. We discuss how inertia affects the microstructure and provide a scaling argument to give a closure for the suspension shear stress for both Newtonian and power-law suspending fluids. The stress closure is valid for moderate particle Reynolds numbers, $ O(Re_p)\sim 10$.

physics.flu-dyn↗