arXiv subjects

Makrand A. Khanwale

Publications and source records attributed to Makrand A. Khanwale.

10 recordsLinked to original sources

arXiv2026

Field conserving adaptive mesh refinement (AMR) scheme on massively parallel adaptive octree meshes

Adaptive mesh refinement (AMR) is widely used to efficiently resolve localized features in time-dependent partial differential equations (PDEs) by selectively refining and coarsening the mesh. However, in long-horizon simulations, repeated intergrid interpolations can introduce systematic drift in conserved quantities, especially for variational discretizations with continuous basis functions. While interpolation from parent-to-child during refinement in continuous Galerkin (CG) discretizations is naturally conservative, the standard injection-based child-to-parent coarsening interpolation is generally not. We propose a simple, scalable field-conserving coarsening operator for parallel, octree-based AMR. The method enforces discrete global conservation during coarsening by first computing field conserving coarse-element values at quadrature points and then recovering coarse nodal degrees of freedom via an $L^2$ projection (mass-matrix solve), which simultaneously controls the $L_2$ error. We evaluate the approach on mass-conserving phase-field models, including the Cahn--Hilliard and Cahn--Hilliard--Navier--Stokes systems, and compare against injection in terms of conservation error, solution quality, and computational cost.

math.NA↗

arXiv2024

Modeling and simulations of high-density two-phase flows using projection-based Cahn-Hilliard Navier-Stokes equations

Accurately modeling the dynamics of high-density ratio ($\mathcal{O}(10^5)$) two-phase flows is important for many material science and manufacturing applications. This work considers numerical simulations of molten metal oscillations in microgravity to analyze the interplay between surface tension and density ratio, a critical factor for terrestrial manufacturing applications. We present a projection-based computational framework for solving a thermodynamically-consistent Cahn-Hilliard Navier-Stokes equations for two-phase flows with large density ratios. The framework employs a modified version of the pressure-decoupled solver based on the Helmholtz-Hodge decomposition presented in Khanwale et al. [{\it A projection-based, semi-implicit time-stepping approach for the Cahn-Hilliard Navier-Stokes equations on adaptive octree meshes.}, Journal of Computational Physics 475 (2023): 111874]. We validate our numerical method on several canonical problems, including the capillary wave and single bubble rise problems. We also present a comprehensive convergence study to investigate the effect of mesh resolution, time-step, and interfacial thickness on droplet-shape oscillations. We further demonstrate the robustness of our framework by successfully simulating three distinct physical systems with extremely large density ratios ($10^4$-$10^5:1$), achieving results that have not been previously reported in the literature.

physics.flu-dyn↗

arXiv2024

A mass-conserving contact line treatment for second-order conservative phase field methods based on the generalized Navier boundary condition

A mass-conserving contact line treatment for second-order conservative phase field methods is presented and applied to the conservative diffuse interface (CDI) model. The treatment centers on a no-flux boundary condition for the phase field along with a slip boundary condition for the velocity that is based on the generalized Navier boundary condition (GNBC). Since the CDI model is a second-order partial differential equation, it does not permit a second (contact angle) boundary condition, in contrast to the popular fourth-order Cahn-Hilliard model. As such, we use one-sided stencils and extrapolations from the interior of the domain to compute phase-field-related quantities on and near the wall. Additionally, we propose novel modifications to the GNBC on the continuous and discrete levels that reduce spurious slip velocity when the contact angle achieves its equilibrium value. The proposed treatment is validated with the equilibrium drop and two-phase Couette flow test cases.

physics.flu-dyn↗

arXiv2023

Direct numerical simulation of electrokinetic transport phenomena in fluids: variational multi-scale stabilization and octree-based mesh refinement

Computational modeling of charged species transport has enabled the analysis, design, and optimization of a diverse array of electrochemical and electrokinetic devices. These systems are represented by the Poisson-Nernst-Planck (PNP) equations coupled with the Navier-Stokes (NS) equation. Direct numerical simulation (DNS) to accurately capture the spatio-temporal variation of ion concentration and current flux remains challenging due to the (a) small critical dimension of the diffuse charge layer (DCL), (b) stiff coupling due to fast charge relaxation times, large advective effects, and steep gradients close to boundaries, and (c) complex geometries exhibited by electrochemical devices. In the current study, we address these challenges by presenting a direct numerical simulation framework that incorporates (a) a variational multiscale (VMS) treatment, (b) a block-iterative strategy in conjunction with semi-implicit (for NS) and implicit (for PNP) time integrators, and (c) octree based adaptive mesh refinement. The VMS formulation provides numerical stabilization critical for capturing the electro-convective flows often observed in engineered devices. The block-iterative strategy decouples the difficulty of non-linear coupling between the NS and PNP equations and allows the use of tailored numerical schemes separately for NS and PNP equations. The carefully designed second-order, hybrid implicit methods circumvent the harsh timestep requirements of explicit time steppers, thus enabling simulations over longer time horizons. Finally, the octree-based meshing allows efficient and targeted spatial resolution of the DCL. These features are incorporated into a massively parallel computational framework, enabling the simulation of realistic engineering electrochemical devices. The numerical framework is illustrated using several challenging canonical examples.

math.NA↗

arXiv2023

Scalable adaptive algorithms for next-generation multiphase flow simulations

High-fidelity flow simulations are indispensable when analyzing systems exhibiting multiphase flow phenomena. The accuracy of multiphase flow simulations is strongly contingent upon the finest mesh resolution used to represent the fluid-fluid interfaces. However, the increased resolution comes at a higher computational cost. In this work, we propose algorithmic advances that aim to reduce the computational cost without compromising on the physics by selectively detecting key regions of interest (droplets/filaments) that require significantly higher resolution. The framework uses an adaptive octree-based meshing framework that is integrated with PETSc's linear algebra solvers. We demonstrate scaling of the framework up to 114,688 processes on TACC's Frontera. Finally, we deploy the framework to simulate one of the most resolved simulations of primary jet atomization. This simulation -- equivalent to 35 trillion grid points on a uniform grid -- is 64 times larger than the current state-of-the-art simulations and provides unprecedented insights into an important flow physics problem with a diverse array of engineering applications.

physics.comp-ph↗

arXiv2023

Effect of interpolation kernels and grid refinement on two way-coupled point-particle simulations

The predictive capability of two way--coupled point-particle Euler-Lagrange model in accurately capturing particle-flow interactions under grid refinement, wherein the particle size can be comparable to the grid size, is systematically evaluated. Two situations are considered, (i) uniform flow over a stationary particle, and (ii) decaying isotropic turbulence laden with Kolmogorov-scale particles. Particle-fluid interactions are modeled using only the standard drag law, typical of large density-ratio systems. A zonal, advection-diffusion-reaction (Zonal-ADR) model is used to obtain the undisturbed fluid velocity needed in the drag closure. Two main types of interpolation kernels, grid-based and particle size--based, are employed. The effect of interpolation kernels on capturing the particle-fluid interactions, kinetic energy, dissipation rate, and particle acceleration statistics are evaluated in detail. It is shown that the interpolation kernels whose width scales with the particle size perform significantly better under grid refinement than kernels whose width scales with the grid size. Convergence with respect to spatial resolution is obtained with the particle size--based kernels with and without correcting for the self-disturbance effect. While the use of particle size--based interpolation kernels provide spatial convergence and perform better than kernels that scale based on grid size, small differences can still be seen in the converged results with and without correcting for the particle self-disturbance. Such differences indicate the need for self-disturbance correction to obtain the best results, especially when the particles are larger than the grid size.

physics.flu-dyn↗

arXiv2022

A projection-based, semi-implicit time-stepping approach for the Cahn-Hilliard Navier-Stokes equations on adaptive octree meshes

The Cahn-Hilliard Navier-Stokes (CHNS) system provides a computationally tractable model that can be used to effectively capture interfacial dynamics in two-phase fluid flows. In this work, we present a semi-implicit, projection-based finite element framework for solving the CHNS system. We use a projection-based semi-implicit time discretization for the Navier-Stokes equation and a fully-implicit time discretization for the Cahn-Hilliard equation. We use a conforming continuous Galerkin (cG) finite element method in space equipped with a residual-based variational multiscale (RBVMS) formulation. Pressure is decoupled using a projection step, which results in two linear positive semi-definite systems for velocity and pressure, instead of the saddle point system of a pressure-stabilized method. All the linear systems are solved using an efficient and scalable algebraic multigrid (AMG) method. We deploy this approach on a massively parallel numerical implementation using parallel octree-based adaptive meshes. The overall approach allows the use of relatively large time steps with much faster time-to-solve than similar fully-implicit methods. We present comprehensive numerical experiments showing detailed comparisons with results from the literature for canonical cases, including the single bubble rise and Rayleigh-Taylor instability.

math.NA↗

arXiv2022

Breakup dynamics in primary jet atomization using mesh- and interface- refined Cahn-Hilliard Navier-Stokes

We present a technique to perform interface-resolved simulations of complex breakup dynamics in two-phase flows using the Cahn-Hilliard Navier-Stokes equations. The method dynamically decreases the interface thickness parameter in relevant regions and simultaneously increases local mesh resolution, preventing numerical artifacts. We perform a detailed numerical simulation of pulsed jet atomization that shows a complex cascade of break-up mechanisms involving sheet rupture and filament formation. To understand the effect of refinement on the breakup, we analyze the droplet size distribution. The proposed approach opens up resolved simulations for various multiphase flow phenomena.

physics.flu-dyn↗

arXiv2021

Modeling electrochemical systems with weakly imposed Dirichlet boundary conditions

Finite element modeling of charged species transport has enabled analysis, design, and optimization of a diverse array of electrochemical and electrokinetic devices. These systems are represented by the Poisson-Nernst-Planck equations coupled with the Navier-Stokes equation, with a key quantity of interest being the current at the system boundaries. Accurately computing the current flux is challenging due to the small critical dimension of the boundary layers (small Debye layer) that require fine mesh resolution at the boundaries. We resolve this challenge by using the Dirichlet-to-Neumanntransformation to weakly impose the Dirichlet conditions for the Poisson-Nernst-Planck equations. The results obtained with weakly imposed Dirichlet boundary conditions showed excellent agreement with those obtained when conventional boundary conditions with highly resolved mesh we reemployed. Furthermore, the calculated current flux showed faster mesh convergence using weakly imposed conditions compared to the conventionally imposed Dirichlet boundary conditions. We illustrate the approach on canonical 3D problems that otherwise would have been computationally intractable to solve accurately. This approach substantially reduces the computational cost of model-ing electrochemical systems.

cs.CE↗

arXiv2021

Industrial scale large eddy simulations (LES) with adaptive octree meshes using immersogeometric analysis

We present a variant of the immersed boundary method integrated with octree meshes for highly efficient and accurate Large-Eddy Simulations (LES) of flows around complex geometries. We demonstrate the scalability of the proposed method up to $\mathcal{O}(32K)$ processors. This is achieved by (a) rapid in-out tests; (b) adaptive quadrature for an accurate evaluation of forces; (c) tensorized evaluation during matrix assembly. We showcase this method on two non-trivial applications: accurately computing the drag coefficient of a sphere across Reynolds numbers $1-10^6$ encompassing the drag crisis regime; simulating flow features across a semi-truck for investigating the effect of platooning on efficiency.

math.NA↗