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James E. Sprittles

Publications and source records attributed to James E. Sprittles.

At least 19 recordsLinked to original sources

Data-Driven Equation Discovery for Nonlinear Liquid Film Flows

Over the past decade data-driven equation discovery emerged as a powerful alternative to first principles-based methodologies traditionally used in mathematical modelling cycles. The approach provides a promising path towards deep, physical insight into systems that have previously evaded rigorous mathematical derivation procedures, often due to intractable complexity. The strengths of such techniques have been successfully established for many problem classes described by systems of ordinary differential equations and continue to be extended, with their reach into partial differential equation systems gaining momentum, though comparatively nascent. Herein we tackle such a frontier: elucidating the dynamics of liquid film flows, a problem space providing a rich backdrop in terms of asymptotic analytical building blocks. By leveraging expert knowledge and the ability to carefully curate data, we establish a best-case scenario for identifying the underlying governing equations. Even here, multi-collinearity, stemming from the choice of monomial basis functions in our multi-scale flow configuration, introduces complex identifiability issues. Early-time transients compound this further, as the most dynamically rich behaviour carries the largest residuals in training data. Pinpointing such vulnerabilities allows us to better define the boundaries of current discovery techniques and paves the way for the next generation of more resilient, numerically stable algorithms.

physics.flu-dyn

Early Stages of Drop Coalescence

Despite the large body of research on coalescence, firm agreement between experiment, theory, and computation has not been established for the very first moments following the initial contact of two liquid volumes. Combining a range of experimental and computational modeling approaches in two different geometries, namely drop-drop and drop-bath configurations, we have been able to elucidate the influence of the intervening gas and van der Waals forces on coalescence. For simple liquids considered here, the gas influences both pre- and post-contact regimes, with jump-to-contact being the primary mode of merging. Subsequently, wave-like air pockets are observed and ultimately influence the initial opening dynamics of the neck.

physics.flu-dyn

Mean First Passage Times and Eyring-Kramers formula for Fluctuating Hydrodynamics

Thermally activated phenomena in physics and chemistry, such as conformational changes in biomolecules, liquid film rupture, or ferromagnetic field reversal, are often associated with exponentially long transition times described by Arrhenius' law. The associated subexponential prefactor, given by the Eyring-Kramers formula, has recently been rigorously derived for systems in detailed balance, resulting in a sharp limiting estimate for transition times and reaction rates. Unfortunately, this formula does not trivially apply to systems with conserved quantities, which are ubiquitous in the sciences: The associated zeromodes lead to divergences in the prefactor. We demonstrate how a generalised formula can be derived, and show its applicability to a wide range of systems, including stochastic partial differential equations from fluctuating hydrodynamics, with applications in rupture of nanofilm coatings and social segregation in socioeconomics.

cond-mat.stat-mech

Modeling Leidenfrost levitation of soft elastic solids

The elastic Leidenfrost effect occurs when a vaporizable soft solid is lowered onto a hot surface. Evaporative flow couples to elastic deformation, giving spontaneous bouncing or steady-state floating. The effect embodies an unexplored interplay between thermodynamics, elasticity, and lubrication: despite being observed, its basic theoretical description remains a challenge. Here, we provide a theory of elastic Leidenfrost floating. As weight increases, a rigid solid sits closer to the hot surface. By contrast, we discover an elasticity-dominated regime where the heavier the solid, the higher it floats. This geometry-governed behavior is reminiscent of the dynamics of large liquid Leidenfrost drops. We show that this elastic regime is characterized by Hertzian behavior of the solid's underbelly and derive how the float height scales with materials parameters. Introducing a dimensionless elastic Leidenfrost number, we capture the crossover between rigid and Hertzian behavior. Our results provide theoretical underpinning for recent experiments, and point to the design of novel soft machines.

cond-mat.soft

Thermal capillary waves on bounded nanoscale thin films

The effect of confining walls on the fluctuation of a nanoscale thin film's free surface is studied using stochastic thin-film equations (STFEs). Two canonical boundary conditions are employed to reveal the influence of the confinement: (1) an imposed contact angle and (2) a pinned contact line. A linear stability analysis provides the wave eigenmodes, after which thermal-capillary-wave theory predicts the wave fluctuation amplitudes. Molecular dynamics (MD) simulations are performed to test the predictions, and a Langevin diffusion model is proposed to capture oscillations of the contact lines observed in MD simulations. Good agreement between the theoretical predictions and the MD simulation results is recovered, and it is discovered that confinement can influence the entire film. Notably, a constraint on the length scale of wave modes is found to affect fluctuation amplitudes from our theoretical model, especially for 3D films. This opens up challenges and future lines of inquiry.

physics.flu-dyn

Putting the micro into the macro: A molecularly-augmented hydrodynamic model of dynamic wetting applied to flow instabilities during forced dewetting

We report a molecularly-augmented continuum-based computational model of dynamic wetting and apply it to the displacement of an externally-driven liquid plug between two partially-wetted parallel plates. The results closely follow those obtained in a recent molecular-dynamics (MD) study of the same problem Toledano (2021) which we use as a benchmark. We are able to interpret the maximum speed of dewetting $U^*_{\mathrm{crit}}$ as a fold bifurcation in the steady phase diagram and show that its dependence on the true contact angle $θ_{\mathrm{cl}}$ is quantitatively similar to that found using MD. A key feature of the model is that the contact angle is dependent on the speed of the contact line, with $θ_{\mathrm{cl}}$ emerging as part of the solution. The model enables us to study the formation of a thin film at dewetting speeds $U^*>U^*_{\mathrm{crit}}$ across a range of length scales, including those that are computationally prohibitive to MD simulations. We show that the thickness of the film scales linearly with the channel width and is only weakly dependent on the capillary number. This work provides a link between matched asymptotic techniques (valid for larger geometries) and MD simulations (valid for smaller geometries). In addition, we find that the apparent angle, the experimentally visible contact angle at the fold bifurcation, is not zero. This is in contrast to the prediction of conventional treatments based on the lubrication model of flow near the contact line, but consistent with experiment.

physics.flu-dyn

Fluctuation-driven dynamics in nanoscale thin-film flows: physical insights from numerical investigations

The effects of thermal fluctuations on nanoscale flows are captured by a numerical scheme that is underpinned by fluctuating hydrodynamics. A stochastic lubrication equation (SLE) is solved on non-uniform adaptive grids to study a series of nanoscale thin-film flows. The Fornberg scheme is used for high-resolution spatial discretisation and a fully-implicit time-marching scheme is designed for numerical stability. The accuracy of the numerical method is verified against theoretical results for thermal capillary waves during the linear stage of their development. The framework is then used to study the nonlinear behaviour of three bounded thin-film flows: (i) droplet spreading, where new power laws are derived; (ii) droplet coalescence, where molecular dynamics results are reproduced by the SLE at a fraction of the computational cost and it is discovered that thermal fluctuations decelerate the process, in contrast to previously investigated phenomena; and (iii) thin-film rupture, where, in the regime considered, disjoining pressure dominates the final stages of rupture.

physics.flu-dyn

An Efficient Moment Method for Modelling Nanoporous Evaporation

Thin-film-based nanoporous membrane technologies exploit evaporation to efficiently cool microscale and nanoscale electronic devices. At these scales, when domain sizes become comparable to the mean free path in the vapour, traditional macroscopic approaches such as the Navier-Stokes-Fourier (NSF) equations become less accurate, and the use of higher-order moment methods is called for. Two higher-order moment equations are considered; the linearised versions of the Grad 13 and Regularised 13 equations. These are applied to the problem of nanoporous evaporation, and results are compared to the NSF method and the method of direct simulation Monte Carlo (i.e. solutions to the Boltzmann equations). Linear and non-linear versions of the boundary conditions are examined, with the latter providing improved results, at little additional computational expense, compared to the linear form. The outcome is a simultaneously accurate and computationally efficient method, which can provide simulation-for-design capabilities at the nanoscale.

physics.flu-dyn

Stability of similarity solutions of viscous thread pinch-off

In this paper we compute the linear stability of similarity solutions of the breakup of viscous liquid threads, in which the viscosity and inertia of the liquid are in balance with the surface tension. The stability of the similarity solution is determined using numerical continuation to find the dominant eigenvalues. Stability of the first two solutions (those with largest minimum radius) is considered. We find that the first similarity solution, which is the one seen in experiments and simulations, is linearly stable with a complex nontrivial eigenvalue, which could explain the phenomenon of break-up producing sequences of small satellite droplets of decreasing radius near a main pinch-off point. The second solution is seen to be linearly unstable. These linear stability results compare favorably to numerical simulations for the stable similarity solution, while a profile starting near the unstable similarity solution is shown to very rapidly leave the linear regime.

physics.flu-dyn

$H$-theorem and boundary conditions for the linear R26 equations: application to flow past an evaporating droplet

Determining physically admissible boundary conditions for higher moments in an extended continuum model is recognised as a major obstacle. Boundary conditions for the regularised 26-moment (R26) equations obtained using Maxwell's accommodation model do exist in the literature; however, we show in this article that these boundary conditions violate the second law of thermodynamics and the Onsager reciprocity relations for certain boundary value problems, and, hence, are not physically admissible. We further prove that the linearised R26 (LR26) equations possess a proper $H$-theorem (second-law inequality) by determining a quadratic form without cross-product terms for the entropy density. The establishment of the $H$-theorem for the LR26 equations in turn leads to a complete set of boundary conditions that are physically admissible for all processes and comply with the Onsager reciprocity relations. As an application, the problem of a slow rarefied gas flow past a spherical droplet with and without evaporation is considered and solved analytically. The results are compared with the numerical solution of the linearised Boltzmann equation, experimental results from the literature and/or other macroscopic theories to show that the LR26 theory with the physically admissible boundary conditions provides an excellent prediction up to Knudsen number $\,\lesssim 1$ and, consequently, provides transpicuous insights into intriguing effects, such as thermal polarisation. In particular, the analytic results for the drag force obtained in the present work are in an excellent agreement with experimental results even for very large values of the Knudsen number.

physics.flu-dyn

Relaxation of Thermal Capillary Waves for Nanoscale Liquid Films on Anisotropic-slip Substrates

The relaxation dynamics of thermal capillary waves for nanoscale liquid films on anisotropic-slip substrates are investigated, using both molecular dynamics (MD) simulations and a Langevin model. The anisotropy of slip on substrates is achieved using a specific lattice plane of a face-centred cubic lattice. This surface's anisotropy breaks the simple scalar proportionality between slip velocity and wall shear stress and requires the introduction of a slip-coefficient tensor. The Langevin equation can describe both the growth of capillary wave spectra and the relaxation of capillary wave correlations, with the former providing a time scale for the surface to reach thermal equilibrium. Temporal correlations of interfacial Fourier modes, measured at thermal equilibrium in MD, demonstrate that (i) larger slip lengths lead to a faster decay in wave correlations, and (ii) unlike on isotropic-slip substrates, the time correlations of waves on anisotropic-slip substrates are wave-direction dependent. These findings emerge naturally from the proposed Langevin equation, which becomes wave-direction dependent, agrees well with MD results, and allows to produce experimentally-verifiable predictions.

physics.flu-dyn

On the velocity distribution function of spontaneously evaporating atoms

Numerical solutions of the Enskog-Vlasov (EV) equation are used to determine the velocity distribution function of atoms spontaneously evaporating into near-vacuum conditions. It is found that an accurate approximation is provided by a half-Maxwellian including a drift velocity combined with different characteristic temperatures for the velocity components normal and parallel to the liquid-vapor interface. The drift velocity and the temperature anisotropy reduce as the liquid bulk temperature decreases but persist for relatively low temperatures corresponding to a vapor behaviour which is only slightly non-ideal. Deviations from the undrifted isotropic half-Maxwellian are shown to be consequences of collisions in the liquid-vapor interface which preferentially backscatter atoms with lower normal-velocity component.

physics.flu-dyn

Thermal Capillary Wave Growth and Surface Roughening of Nanoscale Liquid Films

The well-known thermal capillary wave theory, which describes the capillary spectrum of the free surface of a liquid film, does not reveal the transient dynamics of surface waves, e.g., the process through which a smooth surface becomes rough. Here, a Langevin model is proposed that can capture these dynamics, goes beyond the long-wave paradigm which can be inaccurate at the nanoscale, and is validated using molecular dynamics simulations for nanoscale films on both planar and cylindrical substrates. We show that a scaling relation exists for surface roughening of a planar film and the scaling exponents belong to a specific universality class. The capillary spectra of planar films are found to advance towards a static spectrum, with the roughness of the surface $W$ increasing as a power law of time $W\sim t^{1/8}$ before saturation. However, the spectra of an annular film (with outer radius $h_0$) are unbounded for dimensionless wavenumber $qh_0<1$ due to the Rayleigh-Plateau instability.

physics.flu-dyn

Kinetic Effects in Dynamic Wetting

The maximum speed at which a liquid can wet a solid is limited by the need to displace gas lubrication films in front of the moving contact line. The characteristic height of these films is often comparable to the mean free path in the gas so that hydrodynamic models do not adequately describe the flow physics. This Letter develops a model which incorporates kinetic effects in the gas, via the Boltzmann equation, and can predict experimentally-observed increases in the maximum speed of wetting when (a) the liquid's viscosity is varied, (b) the ambient gas pressure is reduced or (c) the meniscus is confined.

physics.flu-dyn

Capillary Breakup of a Liquid Bridge: Identifying Regimes and Transitions

Computations of the breakup of a liquid bridge are used to establish the limits of applicability of similarity solutions derived for different breakup regimes. These regimes are based on particular viscous-inertial balances, that is different limits of the Ohnesorge number $Oh$. To accurately establish the transitions between regimes, the minimum bridge radius is resolved through four orders of magnitude using a purpose-built multiscale finite element method. This allows us to construct a quantitative phase diagram for the breakup phenomenon which includes the appearance of a recently discovered low-$Oh$ viscous regime. The method used to quantify the accuracy of the similarity solutions allows us to identify a number of previously unobserved features of the breakup, most notably an oscillatory convergence towards the viscous-inertial similarity solution. Finally, we discuss how the new findings open up a number of challenges for both theoretical and experimental analysis.

physics.flu-dyn

Air Entrainment in Dynamic Wetting: Knudsen Effects and the Influence of Ambient Air Pressure

Recent experiments on coating flows and liquid drop impact both demonstrate that wetting failures caused by air entrainment can be suppressed by reducing the ambient gas pressure. Here, it is shown that non-equilibrium effects in the gas can account for this behaviour, with ambient pressure reductions increasing the gas' mean free path and hence the Knudsen number $Kn$. These effects first manifest themselves through Maxwell slip at the gas' boundaries so that for sufficiently small $Kn$ they can be incorporated into a continuum model for dynamic wetting flows. The resulting mathematical model contains flow structures on the nano-, micro- and milli-metre scales and is implemented into a computational platform developed specifically for such multiscale phenomena. The coating flow geometry is used to show that for a fixed gas-liquid-solid system (a) the increased Maxwell slip at reduced pressures can substantially delay air entrainment, i.e. increase the `maximum speed of wetting', (b) unbounded maximum speeds are obtained as the pressure is reduced only when slip at the gas-liquid interface is allowed for and (c) the observed behaviour can be rationalised by studying the dynamics of the gas film in front of the moving contact line. A direct comparison to experimental results obtained in the dip-coating process shows that the model recovers most trends but does not accurately predict some of the high viscosity data at reduced pressures. This discrepancy occurs because the gas flow enters the `transition regime', so that more complex descriptions of its non-equilibrium nature are required. Finally, by collapsing onto a master curve experimental data obtained for drop impact in a reduced pressure gas, it is shown that the same physical mechanisms are also likely to govern splash suppression phenomena.

physics.flu-dyn

The Formation of a Bubble from a Submerged Orifice

The formation of a single bubble from an orifice in a solid surface, submerged in an in- compressible, viscous Newtonian liquid, is simulated. The finite element method is used to capture the multiscale physics associated with the problem and to track the evolution of the free surface explicitly. The results are compared to a recent experimental analysis and then used to obtain the global characteristics of the process, the formation time and volume of the bubble, for a range of orifice radii; Ohnesorge numbers, which combine the material parameters of the liquid; and volumetric gas flow rates. These benchmark calculations, for the parameter space of interest, are then utilised to validate a selection of scaling laws found in the literature for two regimes of bubble formation, the regimes of low and high gas flow rates.

physics.flu-dyn

The Coalescence of Liquid Drops in a Viscous Fluid: Interface Formation Model

The interface formation model is applied to describe the initial stages of the coalescence of two liquid drops in the presence of a viscous ambient fluid whose dynamics is fully accounted for. Our focus is on understanding (a) how this model's predictions differ from those of the conventionally used one, (b) what influence the ambient fluid has on the evolution of the shape of the coalescing drops and (c) the coupling of the intrinsic dynamics of coalescence and that of the ambient fluid. The key feature of the interface formation model in its application to the coalescence phenomenon is that it removes the singularity inherent in the conventional model at the onset of coalescence and describes the part of the free surface `trapped' between the coalescing volumes as they are pressed against each other as a rapidly disappearing `internal interface'. Considering the simplest possible formulation of this model, we find experimentally-verifiable differences with the predictions of the conventional model showing, in particular, the effect of drop size on the coalescence process. According to the new model, for small drops a non-monotone time-dependence of the bridge expansion speed is a feature that could be looked for in further experimental studies. Finally, the results of both models are compared to recently available experimental data on the evolution of the liquid bridge connecting the coalescing drops, and the interface formation model is seen to give a better agreement with the data.

physics.flu-dyn