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We assess the convergence of the Carleman linearization of advection-diffusion-reaction (ADR) equations with a logistic nonlinearity. It is shown that five Carleman iterates provide a satisfactory approximation of the original ADR across a broad range of parameters and strength of nonlinearity. To assess the feasibility of a quantum algorithm based on this linearization, we analyze the projection of the Carleman ADR matrix onto the tensor Pauli basis. It is found that the Carleman ADR matrix requires an exponential number of Pauli gates as a function of the number of qubits. This prevents the practical implementation of the Carleman approach to the quantum simulation of ADR problems on current hardware. We propose to address this limitation by resorting to block-encoding techniques for sparse matrix employing oracles. Such quantum ADR oracles are presented in explicit form and shown to turn the exponential complexity into a polynomial one. However, due to the low probability of successfully implementing the nonunitary Carleman operator, further research is needed to implement the multi-timestep version of the present circuit., Comment: 24 pages, 12 figures

It is argued that the pursuit of an ever increasing number of weights in large-scale machine learning applications, besides being energetically unsustainable, is also conducive to manipulative strategies whereby Science is easily served as a strawman for economic and financial power. If machine learning is meant to serve science ahead of vested business interests, a paradigm shift is needed: from more weights and little insight to more insight and less weights., Comment: 8 pages

We present an error mitigation strategy composed of Echo Verification (EV) and Clifford Data Regression (CDR), the combination of which allows one to learn the effect of the quantum noise channel to extract error mitigated estimates for the expectation value of Pauli observables. We analyse the behaviour of the method under the depolarizing channel and derive an estimator for the depolarization rate in terms of the ancilla purity and postselection probability. We also highlight the sensitivity of this probability to noise, a potential bottleneck for the technique. We subsequently consider a more general noise channel consisting of arbitrary Pauli errors, which reveals a linear relationship between the error rates and the estimation of expectation values, suggesting the learnability of noise in EV by regression techniques. Finally, we present a practical demonstration of Echo Verified Clifford Data Regression (EVCDR) on a superconducting quantum computer and observe accurate results for the time evolution of an Ising model over a spin-lattice consisting of up to 35 sites and circuit depths in excess of 1,000., Comment: 15 pages, 13 figures

It is shown that black holes in a quark gluon plasma (QGP) obeying minimum viscosity bounds, exhibit a Schwarzschild radius in close match with the range of the strong force. For such black holes, an evaporation time of about 1016 secs is estimated, indicating that they would survive by far the quark-gluon plasma era, namely between 10^-10 and 10^-6 seconds after the big bang. On the assumption that the big-bang generated unequal amounts of quark and antiquarks, this suggests that such unbalance might have survived to this day in the form of excess antiquark nuggets hidden to all but gravitational interactions. A connection with the saturon picture, whereby minimum viscosity regimes would associate with the onset coherent quantum field structures with maximum storage properties, is also established, along with potential implication for quantum computing of classical systems., Comment: 10 Pages, 1 Figure

We introduce a two-step, fully reversible process designed to project the outer shape of a generic droplet onto a lower-dimensional space. The initial step involves representing the droplet's shape as a Fourier series. Subsequently, the Fourier coefficients are reduced to lower-dimensional vectors by using autoencoder models. The exploitation of the domain knowledge of the droplet shapes allows us to map generic droplet shapes to just 2D space in contrast to previous direct methods involving autoencoders that could map it on minimum 8D space. This 6D reduction in the dimensionality of the droplet's description opens new possibilities for applications, such as automated droplet generation via reinforcement learning, the analysis of droplet shape evolution dynamics and the prediction of droplet breakup. Our findings underscore the benefits of incorporating domain knowledge into autoencoder models, highlighting the potential for increased accuracy in various other scientific disciplines., Comment: 7 pages, 8 figures

We discuss the Carleman linearization approach to the quantum simulation of classical fluids based on Grad's generalized hydrodynamics and compare it to previous investigations based on lattice Boltzmann and Navier-Stokes formulations. We show that the Carleman-Grad procedure exhibits intermediate properties between the two. Namely, convergence of the Carleman iteration over a few tens of timesteps and a potentially viable quantum circuit implementation using quantum linear algebra solvers. However, both features still need substantial improvements to yield a viable quantum algorithm for fluid flows., Comment: 13 pages, 6 figures

The shape of liquid droplets in air plays an important role in aerodynamic behavior and combustion dynamics of miniaturized propulsion systems such as microsatellites and small drones. Their precise manipulation can yield optimal efficiency in such systems. It is desired to have a minimal representation of droplet shapes using as few parameters to automate shape manipulation using self-learning algorithms, such as reinforcement learning. In this paper, we use a neural compression algorithm to represent, with only two parameters, elliptical and bullet-shaped droplets initially represented with 200 points (400 real numbers) at the droplet boundary. The mapping of many to two points is achieved in two stages. Initially, a Fourier series is formulated to approximate the contour of the droplet. Subsequently, the coefficients of this Fourier series are condensed to lower dimensions utilizing a neural network with a bottleneck architecture. Finally, 5000 synthetically generated droplet shapes were used to train the neural network. With a two real numbers representation, the recovered droplet shapes had excellent overlap with the original ones, with a mean square error 10^-3. Hence, this method compresses the droplet contour to merely two numerical parameters via a fully reversible process, a crucial feature for rendering learning algorithms computationally tractable., Comment: 13 pages, 6 figures, and 30 references

We present a mathematical and computational framework to couple the Keldysh non equilibrium quantum transport formalism with a nanoscale lattice Boltzmann method for the computational design of quantum-engineered nanofluidic devices., Comment: To be submitted to AIAA journal (DSFD 2023 proceedings)

We discuss the Carleman approach to the quantum simulation of classical fluids, as applied to i) Lattice Boltzmann (CLB), ii) Navier-Stokes (CNS) and iii) Grad (CG) formulations of fluid dynamics. CLB shows excellent convergence properties, but it is plagued by nonlocality which results in an exponential depth of the corresponding circuit with the number of Carleman variables. The CNS offers a dramatic reduction of the number Carleman variables, which might lead to a viable depth, provided locality can be preserved and convergence can be achieved with a moderate number of iterates also at sizeable Reynolds numbers. Finally it is argued that CG might combine the best of CLB and CNS., Comment: 7 pages, 4 figures

We present a highly-optimized thread-safe lattice Boltzmann model in which the non-equilibrium part of the distribution function is locally reconstructed via recursivity of Hermite polynomials. Such a procedure allows the explicit incorporation of non-equilibrium moments of the distribution up to the order supported by the lattice. Thus, the proposed approach increases accuracy and stability at low viscosities without compromising performances and amenability to parallelization with respect to standard lattice Boltzmann models. The high-order thread-safe LB is tested on two types of turbulent flows, namely the turbulent channel flow at $Re_{\tau}=180$ and the axisymmetric turbulent jet at $Re = 7000$, it delivers results in excellent agreement with reference data (both DNS, theory, and experiments) and a) achieves peak performances ($\sim 5 \; TeraFlop/s$ and an arithmetic intensity of $\sim 7\; FLOP/byte$ on single GPU) by significantly reducing the memory footprint, b) retains the algorithmic simplicity of standard lattice Boltzmann computing and c) allows to perform stable simulations at vanishingly low viscosities. Our findings open attractive prospects for high-performance simulations of realistic turbulent flows on GPU-based architectures. Such expectations are confirmed by the excellent agreement among lattice Boltzmann, experimental, and DNS reference data.

It is shown that a Hopfield recurrent neural network, informed by experimentally derived brain topology, recovers the scaling picture recently introduced by Deco et al., according to which the process of information transfer within the human brain shows spatially correlated patterns qualitatively similar to those displayed by turbulent flows, although with a more singular exponent, 1/2 instead of 2/3. Both models employ a coupling strength which decays exponentially with the euclidean distance between the nodes, but their mathematical nature is very different, Hopf oscillators versus a Hopfield neural network, respectively. Hence, their convergence for the same data parameters, suggests an intriguing robustness of the scaling picture. The present analysis shows that the Hopfield model brain remains functional by removing links above about five decay lengths, corresponding to about one sixth of the size of the global brain. This suggests that, in terms of connectivity decay length, the Hopfield brain functions in a sort of intermediate ``turbulent liquid''-like state, whose essential connections are the intermediate ones between the connectivity decay length and the global brain size. Finally, the scaling exponents are shown to be highly sensitive to the value of the decay length, as well as to number of brain parcels employed. As a result, any quantitative assessment regarding the specific nature of the scaling regime must be taken with great caution.

We present a pedagogical introduction to a series of quantum computing algorithms for the simulation of classical fluids, with special emphasis on the Carleman-Lattice Boltzmann method., Comment: 11 pages. arXiv admin note: substantial text overlap with arXiv:2307.05157

A revisiting of the Lindemann criterion under the recently established minimal viscosity formulation is proposed which uncovers intriguing insights into the melting process. The approach suggests that melting involves competition between the electron rest energy and the thermal one caused by temperature increase when considering a defect-free crystal structure. However, when accounting for the role of vacancies in the melting process, the analysis suggests that the key competing factors are the thermal energy and the one needed for vacancy migration. The estimated value of the Lindemann constant, in this case, is close to the reported values and with recent simulations studying the correlation between Born and Lindemann melting criteria., Comment: 5 pages, 1 figure

With the rapid development of studies involving droplet microfluidics, drug delivery, cell detection, and microparticle synthesis, among others, many scientists have invested significant efforts to model the flow of these fluid-filled bodies. Motivated by the intricate coupling between hydrodynamics and the interactions of fluid-filled bodies, several methods have been developed. The objective of this review is to present a compact foundation of the methods used in the literature in the context of lattice Boltzmann methods. For hydrodynamics, we focus on the lattice-Boltzmann method due to its specific ability to treat time and spatial-dependent boundary conditions and to incorporate new physical models in a computationally efficient way. We split the existing methods into two groups with regard to the interfacial boundary: fluid-structure and fluid-fluid methods. The fluid-structure methods are characterised by the coupling between fluid dynamics and mechanics of the flowing body, often used in applications involving membranes and similar flexible solid boundaries. We further divide fluid-structure-based methods into two subcategories, those which treat the fluid-structure boundary as a continuum medium and those that treat it as a discrete collection of individual springs and particles. Next, we discuss the fluid-fluid methods, particularly useful for the simulations of fluid-fluid interfaces. We focus on models for immiscible droplets and their interaction in a suspending fluid and describe benchmark tests to validate the models for fluid-filled bodies.

In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a dominance of static correlation in the dissociation limit proves challenging for many conventional quantum chemistry techniques. Our quantum simulations retain good agreement with the full configuration interaction energy in the chosen STO-3G basis, outperforming all benchmarked single-reference wavefunction techniques in capturing the bond-breaking appropriately. Moreover, our methodology is competitive with several multiconfigurational approaches, but at a considerable saving of quantum resource, meaning larger active spaces can be treated for a fixed qubit allowance. To achieve this result we deploy an error mitigation/suppression strategy comprised of dynamical decoupling, measurement-error mitigation and zero-noise extrapolation, in addition to circuit parallelization that not only provides passive averaging of noise but improves the effective shot-yield to reduce the measurement overhead. Furthermore, we introduce a modification to previous adaptive ansatz construction algorithms that incorporates hardware-awareness into our variational circuits to minimize the transpilation cost for the target qubit topology., Comment: 22 pages, 12 figures

In microfluidic systems, droplets undergo intricate deformations as they traverse flow-focusing junctions, posing a challenging task for accurate measurement, especially during short transit times. This study investigates the physical behavior of droplets within dense emulsions in diverse microchannel geometries, specifically focusing on the impact of varying opening angles within the primary channel and injection rates of fluid components. Employing a sophisticated droplet tracking tool based on deep-learning techniques, we analyze multiple frames from flow-focusing experiments to quantitatively characterize droplet deformation in terms of ratio between maximum width and height and propensity to form liquid with hexagonal crystalline order. Our findings reveal the existence of an optimal opening angle where shape deformations are minimal and crystal-like arrangement is maximal. Variations of fluid injection rates are also found to affect size and packing fraction of the emulsion in the exit channel. This paper offers insights into deformations, size and structure of fluid emulsions relative to microchannel geometry and other flow-related parameters captured through machine learning, with potential implications for the design of microchips utilized in cellular transport and tissue engineering applications., Comment: 11 pages, 7 figures

We present a quantum computing algorithm for fluid flows based on the Carleman-linearization of the Lattice Boltzmann (LB) method. First, we demonstrate the convergence of the classical Carleman procedure at moderate Reynolds numbers, namely for Kolmogorov-like flows. Then we proceed to formulate the corresponding quantum algorithm, including the quantum circuit layout and analyze its computational viability. We show that, at least for moderate Reynolds numbers between 10 and 100, the Carleman-LB procedure can be successfully truncated at second order, which is a very encouraging result. We also show that the quantum circuit implementing the single time-step collision operator has a fixed depth, regardless of the number of lattice sites. However, such depth is of the order of ten thousands quantum gates, meaning that quantum advantage over classical computing is not attainable today, but could be achieved in the near-mid term future. The same goal for the multi-step version remains however an open topic for future research., Comment: 16 pages, 9 figures

We present a pedagogical introduction to the current state of quantum computing algorithms for the simulation of classical fluids. Different strategies, along with their potential merits and liabilities, are discussed and commented on., Comment: 7 pages

In this paper, we develop a three-dimensional multiple-relaxation-time lattice Boltzmann method (MRT-LBM) based on a set of non-orthogonal basis vectors. Compared with the classical MRT-LBM based on a set of orthogonal basis vectors, the present non-orthogonal MRT-LBM simplifies the transformation between the discrete velocity space and the moment space, and exhibits better portability across different lattices. The proposed method is then extended to multiphase flows at large density ratio with tunable surface tension, and its numerical stability and accuracy are well demonstrated by some benchmark cases. Using the proposed method, a practical case of a fuel droplet impacting on a dry surface at high Reynolds and Weber numbers is simulated and the evolution of the spreading film diameter agrees well with the experimental data. Furthermore, another realistic case of a droplet impacting on a super-hydrophobic wall with a cylindrical obstacle is reproduced, which confirms the experimental finding of Liu \textit{et al.} [``Symmetry breaking in drop bouncing on curved surfaces," Nature communications 6, 10034 (2015)] that the contact time is minimized when the cylinder radius is comparable with the droplet cylinder., Comment: 19 pages, 11 figures

The simulation of complex quantum many-body systems is a promising short-term goal of noisy intermediate-scale quantum (NISQ) devices. However, the limited connectivity of native qubits hinders the implementation of quantum algorithms that require long-range interactions. We present the outcomes of a digital quantum simulation where we overcome the limitations of the qubit connectivity in NISQ devices. Utilizing the universality of quantum processor native gates, we demonstrate how to implement couplings among physically disconnected qubits at the cost of increasing the circuit depth. We apply this method to simulate a Floquet-driven quantum spin chain featuring interactions beyond nearest neighbors. Specifically, we benchmark the prethermal stabilization of the discrete Floquet time-crystalline response as the interaction range increases, a phenomenon never observed experimentally. Our quantum simulation addresses one of the significant limitations of superconducting quantum processors, namely, device connectivity. It reveals that nontrivial physics involving couplings beyond nearest neighbors can be extracted after the impact of noise is properly taken into account in the theoretical model and consequently mitigated from the experimental data.

Since its discovery, the deep-sea glass sponge Euplectella aspergillum has attracted interest in its mechanical properties and beauty. Its skeletal system is composed of amorphous hydrated silica and is arranged in a highly regular and hierarchical cylindrical lattice that begets exceptional flexibility and resilience to damage. Structural analyses dominate the literature, but hydrodynamic fields that surround and penetrate the sponge have remained largely unexplored. Here we address an unanswered question: whether, besides improving its mechanical properties, the skeletal motifs of E. aspergillum underlie the optimization of the flow physics within and beyond its body cavity. We use extreme flow simulations based on the 'lattice Boltzmann' method, featuring over fifty billion grid points and spanning four spatial decades. These in silico experiments reproduce the hydrodynamic conditions on the deep-sea floor where E. aspergillum lives. Our results indicate that the skeletal motifs reduce the overall hydrodynamic stress and support coherent internal recirculation patterns at low flow velocity. These patterns are arguably beneficial to the organism for selective filter feeding and sexual reproduction11,12. The present study reveals mechanisms of extraordinary adaptation to live in the abyss, paving the way towards further studies of this type at the intersection between fluid mechanics, organism biology and functional ecology., Comment: 23 pages, 4 figures, 9 extended data figures, 3 extended data tables

The prediction non-equilibrium transport phenomena in disordered media is a difficult problem for conventional numerical methods. An example of a challenging problem is the prediction of gas flow fields through porous media in the rarefied regime, where resolving the six-dimensional Boltzmann equation or its numerical approximations is computationally too demanding. Physics-informed neural networks (PINNs) have been recently proposed as an alternative to conventional numerical methods, but remain very close to the Boltzmann equation in terms of mathematical formulation. Furthermore, there has been no systematic study of neural network designs on the performance of PINNs. In this work, PINNs are employed to predict the velocity field of a rarefied gas flow in a slit at increasing Knudsen numbers according to a generalized Stokes phenomenological model using an effective viscosity function. We found that activation functions with limited smoothness result in orders of magnitude larger errors than infinitely differentiable functions and that the AdamW is by far the best optimizer for this inverse problem. The design was found to be robust from Knudsen numbers ranging from 0.1 to 10. Our findings stand as a first step towards the use of PINNs to investigate the dynamics of non-equilibrium flows in complex geometries., Comment: 26 pages, 17 figures, 12 tables

Physiological solvent flows surround biological structures triggering therein collective motions. Notable examples are virus/host-cell interactions and solvent-mediated allosteric regulation. The present work describes a multiscale approach joining the Lattice Boltzmann fluid dynamics (for solvent flows) with the all-atom atomistic molecular dynamics (for proteins) to model functional interactions between flows and molecules. We present, as an applicative scenario, the study of the SARS-CoV-2 virus spike glycoprotein protein interacting with the surrounding solvent, modeled as a mesoscopic fluid. The equilibrium properties of the wild-type spike and of the Alpha variant in implicit solvent are described by suitable observables. The mesoscopic solvent description is critically compared to the all-atom solvent model, to quantify the advantages and limitations of the mesoscopic fluid description., Comment: 15 pages, 6 figures

Based on a previous ansatz by Zel'dovich for the gravitational energy of virtual particle-antiparticle pairs, supplemented with the Holographic Principle, we estimate the vacuum energy in a fairly reasonable agreement with the experimental values of the Cosmological Constant. We further highlight a connection between Wheeler's quantum foam and graviton condensation, as contemplated in the quantum $N$-portrait paradigm, and show that such connection also leads to a satisfactory prediction of the value of the cosmological constant. The above results suggest that the "unnaturally" small value of the cosmological constant may find a quite "natural" explanation once the nonlocal perspective of the large $N$-portrait gravitational condensation is endorsed., Comment: 6 pages, 0 figures

Fluid flows hosting electrical phenomena make the subject of a fascinating and highly interdisciplinary scientific field. In recent years, the extraordinary success of electrospinning and solution blowing technologies for the generation of polymer nanofibers has motivated vibrant research aiming at rationalizing the behavior of viscoelastic jets under applied electric fields or other stretching fields including gas streams. Theoretical models unveiled many original aspects in the underpinning physics of polymer solutions in jets, and provided useful information to improve experimental platforms. This article reviews advances in the theoretical description and numerical simulation of polymer solution jets in electrospinning and solution blowing. Instability phenomena of electrical and hydrodynamic origin are highlighted, which play a crucial role in the relevant flow physics. Specifications leading to accurate and computationally viable models are formulated. Electrohydrodynamic modeling, theories for the jet bending instability, recent advances in Lagrangian approaches to describe the jet flow, including strategies for dynamic refinement of simulations, and effects of strong elongational flow on polymer networks are reviewed. Finally, the current challenges and future perspectives of the field are outlined and discussed, including the task of correlating the physics of the jet flows with the properties of realized materials, as well as the development of multiscale techniques for modelling viscoelastic jets., Comment: 135 pages, 42 figures

We present thread-safe, highly-optimized lattice Boltzmann implementations, specifically aimed at exploiting the high memory bandwidth of GPU-based architectures. At variance with standard approaches to LB coding, the proposed strategy, based on the reconstruction of the post-collision distribution via Hermite projection, enforces data locality and avoids the onset of memory dependencies, which may arise during the propagation step, with no need to resort to more complex streaming strategies. The thread-safe lattice Boltzmann achieves peak performances, both in two and three dimensions and it allows to sensibly reduce the allocated memory ( tens of GigaBytes for order billions lattice nodes simulations) by retaining the algorithmic simplicity of standard LB computing. Our findings open attractive prospects for high-performance simulations of complex flows on GPU-based architectures.

We propose a quantum algorithm for solving physical problems represented by the lattice Boltzmann formulation. Specifically, we deal with the case of a single phase, incompressible fluid obeying the Bhatnagar-Gross-Krook model. We use the framework introduced by Kowalski that links the nonlinear dynamics of a system to the evolution of bosonic modes, assigning a Carleman linearization order to the truncation in the bosonic Fock space of the bosons. The streaming and collision steps are both achieved via unitary operators. A quantized version of the nonlinear collision term has been implemented, without introducing variables of discrete densities coupled from neighbouring sites, unlike the classical Carleman technique. We use the compact mapping of the bosonic modes to qubits that uses a number of qubits which scales logarithmically with the size of truncated bosonic Fock space. The work can be readily extended to the multitude of multiphysics problems which could adapt the lattice Boltzmann formulation., Comment: arXiv admin note: text overlap with arXiv:2301.05762

We discuss the viability of ensemble simulations of fluid flows on quantum computers. The basic idea is to formulate a functional Liouville equation for the probability distribution of the flow field configuration and recognize that, due to its linearity, such an equation is in principle more amenable to quantum computing than the equations of fluid motion. After suitable marginalization and associated closure, the Liouville approach is shown to require several hundreds of logical qubits, hence calling for a major thrust in current noise correction and mitigation techniques.

Due to numerous limitations including restrictive qubit topologies, short coherence times and prohibitively high noise floors, few quantum chemistry experiments performed on existing noisy intermediate-scale quantum hardware have achieved the high bar of chemical precision, namely energy errors to within 1.6 mHa of full configuration interaction. To have any hope of doing so, we must layer contemporary resource reduction techniques with best-in-class error mitigation methods; in particular, we combine the techniques of qubit tapering and the contextual subspace variational quantum eigensolver with several error mitigation strategies comprised of measurement-error mitigation, symmetry verification, zero-noise extrapolation and dual-state purification. We benchmark these strategies across a suite of eight 27-qubit IBM Falcon series quantum processors, taking preparation of the HCl molecule's ground state as our testbed., Comment: 18 pages, 15 figures, 4 tables, supplementary GitHub repository: https://github.com/TimWeaving/quantum-error-mitigation

Soft-granular media, such as dense emulsions, foams or tissues, exhibit either fluid- or solid-like properties depending on the applied external stresses. Whereas bulk rheology of such materials has been thoroughly investigated, the internal structural mechanics of finite soft-granular structures with free interfaces is still poorly understood. Here, we report the spontaneous `crystallization' and `melting' inside a model soft granular cluster -- a densely packed aggregate of $N\sim 30-40$ droplets engulfed by a fluid film -- subject to a varying external flow. We develop new machine learning tools to track the internal rearrangements in the quasi-2D cluster as it transits a sequence of constrictions. As the cluster relaxes from a state of strong mechanical deformations, we find differences in the dynamics of the grains within the interior of the cluster and those at its rim, with the latter experiencing larger deformations and less frequent rearrangements, effectively acting as an elastic membrane around a fluid-like core. We conclude that the observed structural-dynamical heterogeneity results from an interplay of the topological constrains, due to the presence of a closed interface, and the internal solid-fluid transitions. We discuss universality of such behavior in various types of finite soft granular structures, including biological tissues., Comment: 16 pages, 9 figures

Thanks to their prominent collective character, long-range interactions promote information spreading and generate forms of entanglement scaling, which cannot be observed in traditional systems with local interactions. In this work, we study the asymptotic behavior of the entanglement entropy for Kitaev chains with long-range hopping and pairing couplings decaying with a power law of the distance. We provide a fully-fledged analytical and numerical characterization of the asymptotic growth of the ground state entanglement in the large subsystem size limit, finding that the truly non-local nature of the model leads to an extremely rich phenomenology. Most significantly, in the strong long-range regime, we discovered that the system ground state may have a logarithmic, fractal, or volume-law entanglement scaling, depending on the value of the chemical potential and on the strength of the power law decay.

We present a comprehensive study of nanoparticle deposition from drying of colloidal droplets. By means of lattice Boltzmann modeling and theoretical analysis, various deposition patterns, including mountain-like, uniform and coffee ring, as well as un-/symmetrical multiring/mountain-like patterns are achieved. The ratio of nanoparticles deposited at droplet peripheries and center is proposed to quantify different patterns. Its value is controlled by the competition between the capillary flow and nanoparticle diffusion, leading to a linear dependence on an effective P\'eclet number, across over three orders of magnitude. Remarkably, the final deposition pattern can be predicted based on material properties only.

Tracking droplets in microfluidics is a challenging task. The difficulty arises in choosing a tool to analyze general microfluidic videos to infer physical quantities. The state-of-the-art object detector algorithm You Only Look Once (YOLO) and the object tracking algorithm Simple Online and Realtime Tracking with a Deep Association Metric (DeepSORT) are customizable for droplet identification and tracking. The customization includes training YOLO and DeepSORT networks to identify and track the objects of interest. We trained several YOLOv5 and YOLOv7 models and the DeepSORT network for droplet identification and tracking from microfluidic experimental videos. We compare the performance of the droplet tracking applications with YOLOv5 and YOLOv7 in terms of training time and time to analyze a given video across various hardware configurations. Despite the latest YOLOv7 being 10% faster, the real-time tracking is only achieved by lighter YOLO models on RTX 3070 Ti GPU machine due to additional significant droplet tracking costs arising from the DeepSORT algorithm. This work is a benchmark study for the YOLOv5 and YOLOv7 networks with DeepSORT in terms of the training time and inference time for a custom dataset of microfluidic droplets., Comment: 13 pages, 4 figures, 3 tables

We present a pedagogical introduction to a quantum computing algorithm for the simulation of classical fluids, based on the Carleman linearization of a second-quantized version of lattice kinetic theory. Prospects and limitations for the case of fluid turbulence are discussed and commented on.

A GPU-accelerated version of the lattice Boltzmann method for efficient simulation of soft materials is introduced. Unlike standard approaches, this method reconstructs the distribution functions from available hydrodynamic variables (density, momentum, and pressure tensor) without storing the full set of discrete populations. This scheme shows satisfactory numerical stability, significantly lower memory requirements, and data access cost. A series of benchmark tests of relevance to soft matter, such as collisions of fluid droplets, is discussed to validate the method. The results can be of particular interest for high-performance simulations of soft matter systems on future exascale computers., Comment: 12 pages, 7 figures

Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the combustion process, to aerosol deposition in spray medication, along with many others. Due to their strongly nonlinear and multiscale nature, the above complex phenomena still raise a very steep challenge to the most computational methods. In this review, we provide comprehensive coverage of multibody hydrodynamic (MBH) problems focusing on particulate suspensions in complex fluidic systems that have been simulated using hybrid Eulerian-Lagrangian particulate flow models. Among these hybrid models, the Immersed Boundary-Lattice Boltzmann Method (IB-LBM) provides mathematically simple and computationally-efficient algorithms for solid-fluid hydrodynamic interactions in MBH simulations. This paper elaborates on the mathematical framework, applicability, and limitations of various 'simple to complex' representations of close-contact interparticle interactions and collision methods, including short-range inter-particle and particle-wall steric interactions, spring and lubrication forces, normal and oblique collisions, and mesoscale molecular models for deformable particle collisions based on hard-sphere and soft-sphere models in MBH models to simulate settling or flow of nonuniform particles of different geometric shapes and sizes in diverse fluidic systems., Comment: 37 pages, 12 Figures

We revisit force evaluation methodologies on rigid solid particles suspended in a viscous fluid and simulated via lattice Boltzmann method (LBM). We point out the non-commutativity of streaming and collision operators in the force evaluation procedure and provide a theoretical explanation for this observation. Based on this analysis, we propose a discrete force calculation scheme with enhanced accuracy. The proposed scheme is essentially a lattice version of the Reynolds Transport Theorem (RTT) in the context of the lattice Boltzmann formulation. Besides maintaining satisfactory levels of reliability and accuracy, the method also handles force evaluation on complex geometries in a simple and transparent way. We run simulations for NACA0012 airfoil for a range of Reynolds numbers ranging from 100 to 0.5x10^6 and show that the current approach significantly reduces the grid size requirement for accurate force evaluation.

We comment on the role and impact of lattice fluid dynamics on the general landscape of computational fluid dynamics. Starting from the historical development of Lattice Gas Cellular Automata, we move on to a cursory appraisal of the main applications of the Lattice Boltzmann method and challenges ahead., Comment: 11 pages, 4 figures

Active droplets are artificial microswimmers built from a liquid dispersion by microfluidic tools and showing self-propelled motion. These systems hold particular interest for mimicking biological phenomena, such as some aspects of cell locomotion and collective behaviors of bacterial colonies, as well as for the design of droplet-based biologically inspired materials, such as engineered tissues. Growing evidence suggests that geometrical confinement crucially affects their morphology and motility, but the driving physical mechanisms are still poorly understood. Here we study the effect of activity on a droplet containing a contractile polar fluid confined within microfluidic channels of various sizes. We find a surprising wealth of shapes and dynamic regimes, whose mechanics is regulated by a subtle interplay between contractile stress, droplet elasticity and microchannel width. They range from worm-like and cell-like shaped droplets displaying an oscillating behavior within wider channels to bullet-shaped droplets exhibiting rectilinear motion in narrower slits. Our findings support the view that geometrical confinement can provide a viable strategy to control and predict the propulsion direction of active droplets. It would be of interest to look for analogues of these motility modes in biological cells or in synthetic active matter., Comment: Accepted on Physics of Fluids

This Letter proposes a solution of the Vacuum Energy and the Cosmological Constant (CC) paradox based on the Zel'dovich's ansatz, which states that the observable contribution to the vacuum energy density is given by the gravitational energy of virtual particle-antiparticle pairs, continually generated and annihilated in the vacuum state. The novelty of this work is the use of an ultraviolet cut-off length based on the Holographic Principle, which is shown to yield current values of the CC in good agreement with experimental observations., Comment: 4 pages, 0 figures

We compute the metric fluctuations induced by a turbulent energy-matter tensor within the first order Post-Minkowskian approximation. It is found that the turbulent energy cascade can in principle interfere with the process of black hole formation, leading to a potentially strong coupling between these two highly nonlinear phenomena. It is further found that a power-law turbulent energy spectrum $E(k) \sim k^{-n}$ generates metric fluctuations scaling like $x^{n-2}$, where $x$ is a four-dimensional distance from an arbitrary origin in spacetime. This highlights the onset of metric singularities whenever $n <2$, meaning that $2d$ fluid turbulence ($n=3$) yields smooth %(differentiable) metric fluctuations, scaling like $x$, while $3d$ turbulence ($n=5/3$) yields a weakly singular metric $x^{-1/3}$and purely random fluctuations, $n=1$, generate a stronger $1/x$ singularity. Finally, the effect of metric fluctuations on the geodesic motion of test particles is also discussed as a potential technique to extract information on the spectral characteristics of fluctuating spacetime., Comment: 11 pages; 5 figures

The single relaxation time (SRT) and the revised matrix (RM) lattice Boltzmann models are compared for simulations of three dimensional forced isotropic turbulence with resolutions of 128^3 and 256^3, respectively. The forcing technique by Guo et al. (2002) is applied with the two models using the same parameters and conditions. Some new aspects and results have been confirmed such as the superiority of the MRT model to simulate forced turbulence and using the Courant-Friedichs-Lewy condition (CFL) (Courant et al., 1967) by multiplying the velocity input with the coefficient CFL < 1.0 to overcome the stability problem and divide the output velocity data by the same CFL. The initial velocity field is chosen as u(x; 0) = 0 and the force is injected at low wave-numbers with a fixed forcing amplitude to 10^-4 for all cases. The single relaxation time is set to 0.503 in all SRT simulations. Results show that the obtained turbulent velocity fields yield universal characteristics as proven in previous theoretical, experimental and numerical studies. The Taylor Reynolds number for the simulations are found as SRT: R = 62 and MRT : R = 65 for 1283 and SRT: R= 107 and MRT: R = 82 for the case of 2563, respectively. To test the weak incompressibility for the SRT model in comparison to the MRT model, the density probability distribution function (PDF) is depicted and it is found that ? is almost unity at all timesteps for the MRT case, while a clear disturbance about unity is observed for the SRT case., Comment: I have to add more figures and discussions

This work analyzes trajectories obtained by YOLO and DeepSORT algorithms of dense emulsion systems simulated by Lattice Boltzmann methods. The results indicate that the individual droplet's moving direction is influenced more by the droplets immediately behind it than the droplets in front of it. The analysis also provides hints on constraints on writing down a dynamical model of droplets for the dense emulsion in narrow channels., Comment: 9 pages, 5 figures

Droplet microfluidics, in which micro-droplets serve as individual reactors, has enabled a wide range of high-throughput biochemical processes. Unlike solid wells typically used in current biochemical assays, droplets are subject to instability and can undergo breakup, especially under fast flow conditions. Although the physics of single drops has been studied extensively, the flow of crowded drops or concentrated emulsions, where droplet volume fraction exceeds 80 percent, is relatively unexplored in microfluidics. In this article and the related invited lecture from the 74th Annual Meeting of the American Physical Society's Division of Fluid Dynamics, we describe the collective behavior of drops in a concentrated emulsion by tracking the dynamics and the fate of individual drops within the emulsion. At the slow flow limit of the concentrated emulsion, we observe an unexpected order, where the velocity of individual drops in the emulsion exhibits spatiotemporal periodicity. As the flow rate increases, the emulsion transitions from a solid-like to a liquid-like material, and the spatiotemporal order in the flow is lost. At the fast flow limit, droplet breakup starts to occur. We show that droplet breakup within the emulsion follows a probability distribution, in stark contrast to the deterministic behavior in classical single-drop studies. In addition to capillary number and viscosity ratio, break-up probability is governed by a confinement factor that measures drop size relative to a characteristic channel length. The breakup probability arises from the time-varying packing configuration of the drops. Finally, we discuss recent progress in computation methods for recapitulating the flow of concentrated emulsions., Comment: 58 pages, 14 figures

Deep neural networks are rapidly emerging as data analysis tools, often outperforming the conventional techniques used in complex microfluidic systems. One fundamental analysis frequently desired in microfluidic experiments is counting and tracking the droplets. Specifically, droplet tracking in dense emulsions is challenging as droplets move in tightly packed configurations. Sometimes the individual droplets in these dense clusters are hard to resolve, even for a human observer. Here, two deep learning-based cutting-edge algorithms for object detection (YOLO) and object tracking (DeepSORT) are combined into a single image analysis tool, DropTrack, to track droplets in microfluidic experiments. DropTrack analyzes input videos, extracts droplets' trajectories, and infers other observables of interest, such as droplet numbers. Training an object detector network for droplet recognition with manually annotated images is a labor-intensive task and a persistent bottleneck. This work partly resolves this problem by training object detector networks (YOLOv5) with hybrid datasets containing real and synthetic images. We present an analysis of a double emulsion experiment as a case study to measure DropTrack's performance. For our test case, the YOLO networks trained with 60% synthetic images show similar performance in droplet counting as with the one trained using 100% real images, meanwhile saving the image annotation work by 60%. DropTrack's performance is measured in terms of mean average precision (mAP), mean square error in counting the droplets, and inference speed. The fastest configuration of DropTrack runs inference at about 30 frames per second, well within the standards for real-time image analysis., Comment: 24 pages, 7 figures, and 2 video files

Active research in nanotechnology contemplates the use of nanomaterials for engineering applications. However, a primary challenge is understanding the effects of nanomaterial properties on industrial device performance and translating unique nanoscale properties to the macroscale. One emerging example is graphene oxide (GO) membranes for separation processes. Thus, here we investigate how individual GO properties can impact layered GO characteristics and water permeability. GO chemistry and morphology were controlled with easy-to-implement photo-reduction and sonication techniques and were quantitatively correlated offering a valuable tool to speed up the characterization process. For example, one could perform chemical analysis and concurrently obtain morphology information or vice versa. Chemical GO modification allows for fine control of GO oxidation state and GO laminate nanoarchitecture enabling controlled synthesis of a GO architectural laminate (GOAL). The GOAL can be considered as the selective layer of the membrane created by interconnected sub-nanometer channels, characterized by a length and a height (i.e., GO spacing), through which water molecules permeate. Water permeability was measured for eight GOAL characterized by different GO chemistry and morphology, and indicate that GO nanochannel height dictates water transport. The simulations indicate a no-slip Darcy-like water transport regime inside the GOAL due to the presence of basal oxygen functionalities. The experimental and simulation evidence presented in this letter help create a clearer picture of water transport in GO and can be used to rationally design more effective and efficient GO membranes., Comment: 25 pages

The aim of this paper is twofold: the first is to formulate and validate a multi-scale discrete Boltzmann method (DBM) based on density functional kinetic theory for thermal multiphase flow systems, ranging from continuum to transition flow regime; the second is to present some new insights into the thermo-hydrodynamic non-equilibrium (THNE) effects in the phase separation process. Methodologically, DBM includes three main pillars: (i) the determination of the fewest kinetic moment relations, which are required by the description of significant THNE effects beyond the realm of continuum fluid mechanics, (ii) the construction of appropriate discrete equilibrium distribution function recovering all the desired kinetic moments, (iii) the detection, description, presentation and analysis of THNE based on the moments of the non-equilibrium distribution ($f-f^{(eq)}$). The incorporation of appropriate additional higher-order thermodynamic kinetic moments considerably extends the DBM's capability of handling larger values of the liquid-vapor density ratio, curbing spurious currents, and ensuring mass-momentum-energy conservation. Compared with the DBM with only first-order THNE (Gan et al. Soft Matter 11,5336), the model retrieves kinetic moments beyond the third-order super-Burnett level, and is accurate for weak, moderate, and strong THNE cases even when the local Knudsen number exceeds $1/3$. Physically, the ending point of the linear relation between THNE and the concerned physical parameter provides a distinct criterion to identify whether the system is near or far from equilibrium. Besides, the surface tension refrains the local THNE around the interface, but expands the THNE range and strengthens the THNE intensity away from the interface through interface smoothing and widening., Comment: 54 pages, 13 figures

In this work we provide analytic and numerical solutions for the Bjorken flow, a standard benchmark in relativistic hydrodynamics providing a simple model for the bulk evolution of matter created in collisions between heavy nuclei. We consider relativistic gases of both massive and massless particles, working in a ( 2 + 1 ) and ( 3 + 1 ) Minkowski space-time coordinate system. The numerical results from a recently developed lattice kinetic scheme show excellent agreement with the analytic solutions.