Searcharxiv⌕ Search

arXiv subjects

Neelesh A. Patankar

Publications and source records attributed to Neelesh A. Patankar.

35 records · Page 2Linked to original sources
arXiv2021

The thermodynamic principle determining the interface temperature during phase change

What is the interface temperature during phase transition (for instance, from liquid to vapor)? This question remains fundamentally unresolved. In the modeling of heat transfer problems with no phase change, the temperature and heat flux continuity conditions lead to the interface temperature. However, in problems with phase change, the heat flux condition is used to determine the amount of mass changing phase. This makes the interface temperature indeterminate unless an additional condition is imposed. A common approach in the modeling of boiling is to assume that the interface attains the saturation temperature according some measure of pressure at the interface. This assumption is usually applied even under highly non-equilibrium scenarios where significant temperature gradients and mass transport occur across the interface. In this work, an ab-initio thermodynamic principle is introduced based on the entropy production at the interface that fully specifies the associated temperature under non-equilibrium scenarios. Physically, the thermodynamic principle provides a theoretical limit on the space of possible phase change rates that can occur by associating the mass flux with a corresponding interfacial entropy production rate; a stronger statement is made that a system with sufficient degrees of freedom selects the maximum entropy production, giving the observed phase change rate and associated interface properties. This entropic principle captures experimental and computational values of the interface temperature that can deviate by over $50\%$ from the assumed saturation values. It also accounts for temperature jumps (discontinuities) at the interface whose difference can exceed 15 degrees Celcius. This thermodynamic principle is found to appropriately complete the phase change problem.

cond-mat.stat-mech↗
arXiv2021

Pumping Patterns and Work Done during Peristalsis in Finite-length Elastic Tubes

Balloon dilation catheters are often used to quantify the physiological state of peristaltic activity in tubular organs and comment on their ability to propel fluid which is important for healthy human function. To fully understand this system's behavior, we analyzed the effect of a solitary peristaltic wave on a fluid-filled elastic tube with closed ends. A reduced order model that predicts the resulting tube wall deformations, flow velocities and pressure variations is presented. This simplified model is compared with detailed fluid-structure 3D immersed boundary simulations of peristaltic pumping in tube walls made of hyperelastic material. The major dynamics observed in the 3D simulations were also displayed by our 1D model under laminar flow conditions. Using the 1D model, several pumping regimes were investigated and presented in the form of a regime map that summarizes the system's response for a range of physiological conditions. Finally, the amount of work done during a peristaltic event in this configuration was defined and quantified. The variation of elastic energy and work done during pumping was found to have a unique signature for each regime. An extension of the 1D model is applied to enhance patient data collected by the device and find the work done for a typical esophageal peristaltic wave. This detailed characterization of the system's behavior aids in better interpreting the clinical data obtained from dilation catheters. Additionally, the pumping capacity of the esophagus can be quantified for comparative studies between disease groups.

physics.flu-dyn↗
arXiv2020

Mechanics Informed Fluoroscopy of Esophageal Transport

Fluoroscopy is a radiographic procedure for evaluating esophageal disorders such as achalasia, dysphasia and gastroesophageal reflux disease (GERD). It performs dynamic imaging of the swallowing process and provides anatomical detail and a qualitative idea of how well swallowed fluid is transported through the esophagus. In this work, we present a method called mechanics informed fluoroscopy (FluoroMech) that derives patient-specific quantitative information about esophageal function. FluoroMech uses a Convolutional Neural Network to perform segmentation of image sequences generated from the fluoroscopy, and the segmented images become input to a one-dimensional model that predicts the flow rate and pressure distribution in fluid transported through the esophagus. We have extended this model by developing a FluoroMech reference model to identify and estimate potential physiomarkers such as esophageal wall stiffness and active relaxation ahead of the peristaltic wave in the esophageal musculature. FluoroMech requires minimal computational time, and hence can potentially be applied clinically in the diagnosis of esophageal disorders.

physics.med-ph↗
arXiv2020

Tetracycline as an inhibitor to the coronavirus SARS-CoV-2

The coronavirus SARS-CoV-2 remains an extant threat against public health on a global scale. Cell infection begins when the spike protein of SARS-CoV-2 binds with the cell receptor, angiotensin-converting enzyme 2 (ACE2). Here, we address the role of Tetracycline as an inhibitor for the receptor-binding domain (RBD) of the spike protein. Targeted molecular investigation show that Tetracycline binds more favorably to the RBD (-9.40 kcal/mol) compared to Chloroquine (-6.31 kcal/mol) or Doxycycline (-8.08 kcal/mol) and inhibits attachment to ACE2 to a greater degree (binding efficiency of 2.98 $\frac{\text{kcal}}{\text{mol}\cdot \text{nm}^2}$ for Tetracycline-RBD, 5.59 $\frac{\text{kcal}}{\text{mol}\cdot \text{nm}^2}$ for Chloroquine-RBD, 5.16 $\frac{\text{kcal}}{\text{mol}\cdot \text{nm}^2}$ for Doxycycline-RBD). Stronger Tetracycline inhibition is verified with nonequilibrium PMF calculations, for which the Tetracycline-RBD complex exhibits the lowest free energy profile along the dissociation pathway from ACE2. Tetracycline appears to target viral residues that are usually involved in significant hydrogen bonding with ACE2; this inhibition of cellular infection complements the anti-inflammatory and cytokine suppressing capability of Tetracycline, and may further reduce the duration of ICU stays and mechanical ventilation induced by the coronavirus SARS-CoV-2.

q-bio.BM↗
arXiv2019

The thermo-wetting instability driving Leidenfrost film collapse

Above a critical temperature known as the Leidenfrost point (LFP), a heated surface can suspend a liquid droplet above a film of its own vapor. The insulating vapor film can be highly detrimental in metallurgical quenching and thermal control of electronic devices, but may also be harnessed to reduce drag and generate power. Manipulation of the LFP has occurred mostly through experiment, giving rise to a variety of semi-empirical models that account for the Rayleigh-Taylor instability, nucleation rates, and superheat limits. However, a truly comprehensive model has been difficult given that the LFP varies dramatically for different fluids and is affected by system pressure, surface roughness and liquid wettability. Here, we identify the vapor film instability for small length scales that ultimately sets the collapse condition at the Leidenfrost point. From a linear stability analysis, it is shown that the main film stabilizing mechanisms are the liquid-vapor surface tension, viscous transport of vapor mass, and evaporation at the liquid-vapor interface. Meanwhile, van der Waals interaction between the bulk liquid and the solid substrate across the vapor phase drives film collapse. This physical insight into vapor film dynamics allows us to derive an ab-initio, mathematical expression for the Leidenfrost point of a fluid. The expression captures the experimental data on the LFP for different fluids under various surface wettabilities and ambient pressures. For fluids that wet the surface (small intrinsic contact angle), the expression can be simplified to a single, dimensionless number that encapsulates the thermo-wetting instability governing the LFP.

physics.flu-dyn↗
arXiv2019

A robust incompressible Navier-Stokes solver for high density ratio multiphase flows

This paper presents a robust, adaptive numerical scheme for simulating high density ratio and high shear multiphase flows on locally refined Cartesian grids that adapt to the evolving interfaces and track regions of high vorticity. The algorithm combines the interface capturing level set method with a variable-coefficient incompressible Navier-Stokes solver that is demonstrated to stably resolve material contrast ratios of up to six orders of magnitude. The discretization approach ensures second-order pointwise accuracy for both velocity and pressure with several physical boundary treatments, including velocity and traction boundary conditions. The paper includes several test cases that demonstrate the order of accuracy and algorithmic scalability of the flow solver. To ensure the stability of the numerical scheme in the presence of high density and viscosity ratios, we employ a consistent treatment of mass and momentum transport in the conservative form of discrete equations. This consistency is achieved by solving an additional mass balance equation, which we approximate via a strong stability preserving Runga-Kutta time integrator and by employing the same mass flux (obtained from the mass equation) in the discrete momentum equation. The scheme uses higher-order total variation diminishing (TVD) and convection-boundedness criterion (CBC) satisfying limiter to avoid numerical fluctuations in the transported density field. The high-order bounded convective transport is done on a dimension-by-dimension basis, which makes the scheme simple to implement. We also demonstrate through several test cases that the lack of consistent mass and momentum transport in non-conservative formulations, which are commonly used in practice, or the use of non-CBC satisfying limiters can yield very large numerical error and very poor accuracy for convection-dominant high density ratio flows.

physics.comp-ph↗
arXiv2019

A DLM immersed boundary method based wave-structure interaction solver for high density ratio multiphase flows

We present a robust immersed boundary (IB) method for high density ratio multiphase flows that is capable of modeling complex wave-structure interaction (WSI) problems arising in marine and coastal engineering applications. The IB/WSI methodology is enabled by combining the distributed Lagrange multiplier (DLM) method of Sharma and Patankar (J Comp Phys, 2005) with a robust level set method based multiphase flow solver. The fluid solver integrates the conservative form of the variable-coefficient incompressible Navier-Stokes equations using a hybrid preconditioner and ensures consistent transport of mass and momentum at a discrete level. The consistent transport scheme preserves the numerical stability of the method in the presence of large density ratios found in problems involving air, water, and an immersed structure. The air-water interface is captured by the level set method on an Eulerian grid, whereas the free-surface piercing immersed structure is represented on a Lagrangian mesh. The fluid-structure interaction (FSI) coupling is mediated via Peskin's regularized delta functions in an implicit manner, which obviates the need to integrate the hydrodynamic stress tensor on the complex surface of the immersed structure. The IB/WSI numerical scheme is implemented within an adaptive mesh refinement (AMR) framework, in which the Lagrangian structure and the air-water interface are embedded on the finest mesh level to capture the thin boundary layers and the vortical structures arising from WSI. We use a well-balanced force discretization for gravity force that eliminates spurious velocity currents in the hydrostatic limit due to density variation in the three phases (air, water and solid). An effective wave generation and absorption technique for a numerical wave tank is presented and used to simulate a benchmark case of water wave distortion due to a submerged structure.

physics.flu-dyn↗
arXiv2017

A moving control volume approach to computing hydrodynamic forces and torques on immersed bodies

We present a moving control volume (CV) approach to computing hydrodynamic forces and torques on complex geometries. The method requires surface and volumetric integrals over a simple and regular Cartesian box that moves with an arbitrary velocity to enclose the body at all times. The moving box is aligned with Cartesian grid faces, which makes the integral evaluation straightforward in an immersed boundary (IB) framework. Discontinuous and noisy derivatives of velocity and pressure at the fluid-structure interface are avoided and far-field (smooth) velocity and pressure information is used. We re-visit the approach to compute hydrodynamic forces and torques through force/torque balance equation in a Lagrangian frame that some of us took in a prior work (Bhalla et al., J Comp Phys, 2013). We prove the equivalence of the two approaches for IB methods, thanks to the use of Peskin's delta functions. Both approaches are able to suppress spurious force oscillations and are in excellent agreement, as expected theoretically. Test cases ranging from Stokes to high Reynolds number regimes are considered. We discuss regridding issues for the moving CV method in an adaptive mesh refinement (AMR) context. The proposed moving CV method is not limited to a specific IB method and can also be used, for example, with embedded boundary methods.

math.NA↗
arXiv2016

A continuum mechanics-based musculo-mechanical model for esophageal transport

In this work, we extend our previous esophageal transport model using an immersed boundary (IB) method with discrete fiber-based structures, to one using a continuum mechanics-based model that is approximated based on finite elements (IB-FE). To deal with the leakage of flow when the Lagrangian mesh becomes coarser than the fluid mesh, we employ adaptive interaction quadrature points for Lagrangian-Eulerian interaction equations based on a previous work. In particular, we introduce a new anisotropic adaptive interaction quadrature rule. The new rule permits us to vary the interaction quadrature points not only at each time-step and element but also at different orientations per element. For the material model, we extend our previous fiber-based model to a continuum-based model. We first study a case in which a three-dimensional short tube is dilated. Results match very well with those from the implicit FE method. We remark that in our IB-FE case, the three-dimensional tube undergoes a very large deformation and the Lagrangian mesh-size becomes about 6 times of Eulerian mesh-size. To validate the method in handling fiber-matrix material models, we perform a second study on dilating a long fiber-reinforced tube. Errors are small when we compare numerical solutions with analytical solutions. The technique is then applied to the problem of esophageal transport. We present three cases that differ in the material model and muscle fiber architecture. The overall transport features are consistent with those from the previous model. We remark that the continuum-based model can handle more realistic and complicated material behavior. This is demonstrated in our third case with spatially varying fiber architecture. We find this unique muscle fiber architecture could generate a so-called pressure transition zone. This suggests an important role of muscle fiber architecture in esophageal transport.

physics.comp-ph↗
arXiv2015

Mileage efficiency and relative emission of automotive vehicles

Physics dictates that cars with small mass will travel more miles per gallon (mpg) compared to massive trucks. Does this imply that small cars are more efficient machines? In this work a mileage efficiency metric is defined as a ratio of actual car mileage (mpg) to the mileage of an ideal car. This metric allows comparison of efficiencies of cars with different masses and fuel types. It is as useful to quantify efficiencies of cars as the concept of drag coefficient is to quantify the efficacy of their aerodynamic shapes. Maximum mileage and lowest CO2 emission of conventional gasoline cars, at different driving schedules, is reported based on the concept of an ideal car. This can help put government imposed standards in a rigorous context.

physics.soc-ph↗
arXiv2015

Thermodynamics of sustaining gases in the roughness of submerged superhydrophobic surfaces

Rough surfaces submerged in a liquid can remain almost dry if the liquid does not fully wet the roughness and gases are sustained in roughness grooves. Such partially dry surfaces can help reduce drag or enhance boiling. Gases sustained in roughness grooves would be composed of air and the vapor phase of the liquid itself. The thermodynamics of sustaining vapor was considered in a prior work [Patankar, Soft Matter, 2010, 6:1613]. Here, the thermodynamics of sustaining gases (e.g. air) is considered. Governing equations are presented along with a solution methodology to determine a critical condition to sustain gases. The critical roughness scale to sustain gases is estimated for different degrees of saturation of gases dissolved in the liquid. It is shown that roughness spacings of less than a micron are essential to sustain gases on surfaces submerged in water at atmospheric pressure. This is consistent with prior empirical data.

cond-mat.soft↗
arXiv2015

A fully resolved active musculo-mechanical model for esophageal transport

Esophageal transport is a physiological process that mechanically transports an ingested food bolus from the pharynx to the stomach via the esophagus, a multi-layered muscular tube. This process involves interactions between the bolus, the esophagus, and the neurally coordinated activation of the esophageal muscles. In this work, we use an immersed boundary (IB) approach to simulate peristaltic transport in the esophagus. The bolus is treated as a viscous fluid that is actively transported by the muscular esophagus, which is modeled as an actively contracting, fiber-reinforced tube. A simplified version of our model is verified by comparison to an analytic solution to the tube dilation problem. Three different complex models of the multi-layered esophagus, which differ in their activation patterns and the layouts of the mucosal layers, are then extensively tested. To our knowledge, these simulations are the first of their kind to incorporate the bolus, the multi-layered esophagus tube, and muscle activation into an integrated model. Consistent with experimental observations, our simulations capture the pressure peak generated by the muscle activation pulse that travels along the bolus tail. These fully resolved simulations provide new insights into roles of the mucosal layers during bolus transport. In addition, the information on pressure and the kinematics of the esophageal wall due to the coordination of muscle activation is provided, which may help relate clinical data from manometry and ultrasound images to the underlying esophageal motor function.

physics.comp-ph↗
arXiv2014

Sustaining dry surfaces under water

Rough surfaces immersed under water remain practically dry if the liquid-solid contact is on roughness peaks, while the roughness valleys are filled with gas. Mechanisms that prevent water from invading the valleys are well studied. However, to remain practically dry under water, additional mechanisms need consideration. This is because trapped gas (e.g. air) in the roughness valleys can dissolve into the water pool, leading to invasion. Additionally, water vapor can also occupy the roughness valleys of immersed surfaces. If water vapor condenses, that too leads to invasion. These effects have not been investigated, and are critically important to maintain surfaces dry under water. In this work, we identify the critical roughness scale below which it is possible to sustain the vapor phase of water and/or trapped gases in roughness valleys - thus keeping the immersed surface dry. Theoretical predictions are consistent with molecular dynamics simulations and experiments.

cond-mat.soft↗
arXiv2014

Electrokinetic instability in the sharp interface limit: The perpendicular electric field case

In this paper, instability at an interface between two miscible liquids with identical mechanical properties but different electrical conductivities is analyzed in the presence of an electric field that is perpendicular to the interface. A parallel electric field case was considered in a previous work [1]. A sharp Eulerian interface is considered between the two miscible liquids. Linear stability analysis leads to an analytic solution for the critical condition of instability. The mechanism of instability is analyzed. Key differences between the perpendicular and parallel electric field cases are discussed. The effect of a microchannel geometry is studied and the relevant non-dimensional parameters are identified.

physics.flu-dyn↗
arXiv2014

Fluctuating Immersed Material (FIMAT) Dynamics for Fully Resolved Simulation of the Brownian Motion of Particles

Fluctuating hydrodynamics based techniques have been developed in recent years for the simulation of Brownian motion of particles. These mesoscale simulation tools are viable approaches for problems where molecular dynamics simulations may be deemed expensive. We have developed a rigid constraint-based formulation where the key idea is to assume that the entire domain is a fluctuating fluid. Rigid motion constraints are then imposed in regions that are occupied by rigid particles. The resulting solution gives the Brownian motion of the particles. This approach is shown to be viable for the simulation of long time scale diffusive behavior as well as for short time scale dynamics by using two separate solution techniques. Test cases are reported to validate the approach and to establish its efficacy.

physics.flu-dyn↗
arXiv2014

Separability of drag and thrust in undulatory animals and machines

For nearly a century, researchers have tried to understand the swimming of aquatic animals in terms of a balance between the forward thrust from swimming movements and drag on the body. Prior approaches have failed to provide a separation of these two forces for undulatory swimmers such as lamprey and eels, where most parts of the body are simultaneously generating drag and thrust. We nonetheless show that this separation is possible, and delineate its fundamental basis in undulatory swimmers. Our approach unifies a vast diversity of undulatory aquatic animals (anguilliform, sub-carangiform, gymnotiform, bal- istiform, rajiform) and provides design principles for highly agile bioinspired underwater vehicles. This approach has practical utility within biology as well as engineering. It is a predictive tool for use in understanding the role of the mechanics of movement in the evolutionary emergence of morphological features relating to locomotion. For example, we demonstrate that the drag-thrust separation framework helps to predict the observed height of the ribbon fin of electric knifefish, a diverse group of neotropical fishes which are an important model system in sensory neurobiology. We also show how drag-thrust separation leads to models that can predict the swimming velocity of an organism or a robotic vehicle.

physics.flu-dyn↗