Sauro Succi

INFN - Istituto Nazionale di Fisica Nucleare | INFN · Istituto Applicazioni Calcolo

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 th...

The shape of liquid droplets in air plays an important role in the 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...

Soft-granular media, such as dense emulsions, foams or tissues, exhibit either fluid- or solidlike 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 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 th...

Over the last decade, the Lattice Boltzmann method has found major scope for the simulation of a large spectrum of problems in soft matter, from multiphase and multi-component microfluidic flows, to foams, emulsions, colloidal flows, to name but a few. Crucial to many such applications is the role of supramolecular interactions which occur whenever...

We analyze the flow physics inside the body cavity and downstream the deep-sea glass sponge Euplectella aspergillum. We provide evidence that the helical skeletal motifs of the sponge give rise to a rich fluid dynamic field, allowing the organism to scavenge flow from the bottom of the sea and promoting a spontaneous, organized vertical flow within...

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 propos...

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...

We present a mapping between a Schrödinger equation with a shifted nonlinear potential and the Navier–Stokes equation. Following a generalization of the Madelung transformations, we show that the inclusion of the Bohm quantum potential plus the laplacian of the phase field in the nonlinear term leads to continuity and momentum equations for a dissi...

The prediction of 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 computati...

We employ a three-phase thermal lattice Boltzmann model (LBM) to investigate the power performance of latent heat thermal energy storage (LHTES) systems based on the exploitation of phase change materials (PCMs). Different passive thermal supports are considered to increase the melting rate, including innovative, fractal, branch-like structures. Ou...

We numerically study the dynamics of a passive fluid droplet confined within a microchannel whose walls are covered with a thin layer of active gel. The latter represents a fluid of extensile material modelling, for example, a suspension of cytoskeletal filaments and molecular motors. Our results show that the layer is capable of producing a sponta...

We present a mapping between a Schr\"odinger equation with a complex diffusion along with a complex potential and the Navier-Stokes equation. Following a generalization of the Madelung transformations, we show that the inclusion of above contributions leads to continuity and momentum equations for a dissipative incompressible Navier-Stokes fluid. T...

We numerically study the dynamics of a passive fluid droplet confined within a microchannel whose walls are covered with a thin layer of active gel. The latter represents a fluid of extensile material modelling, for example, a suspension of cytoskeletal filaments and molecular motors. Our results show that the layer is capable of producing a sponta...

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...

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 biologicall...

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 computationa...

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 (DeepSOR...

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 dynami...

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 un...

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...

Active fluid droplets are a class of soft materials exhibiting autonomous motion sustained by an energy supply. Such systems have been shown to capture motility regimes typical of biological cells and are ideal candidates as building-block for the fabrication of soft biomimetic materials of interest in pharmacology, tissue engineering and lab on ch...

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 sat...

Soft-granular media such as dense emulsions, foams or tissues tend to exhibit either fluid- or solid-like properties depending on the applied stresses. However, the internal dynamics of soft granular systems bound by closed interfaces is poorly understood, while it remains of significant interest in diverse fields ranging from material science (por...

We detail some of the understudied aspects of the flow inside and around the Hexactinellid Sponge Euplectella aspergillum. By leveraging the flexibility of the Lattice Boltzmann Method, High Performance Computing simulations are performed to dissect the complex conditions corresponding to the actual environment at the bottom of the ocean, at depths...

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...

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 (DeepSOR...

Reversibility: absorbing and desorbing cases [2]. • Model supports vehicle design and targeting drugs, optimize the dose capacity estimates the release time and predict release performances [3]. • Extension to double emulsions and pH-sensitive polymeric nanocontainers [4]. • Drug releasing capsules and droplets are largely used in biomedical applic...

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 sat...

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 nonlin...

The aim of this paper is twofold: the first aim 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 aim is to present some new insights into the thermo-hydrodynamic non-equilibrium (THNE...

This work analyzes trajectories obtained by YOLO and DeepSORT algorithms of dense emulsion systems simulated via 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 provide hints on constraints of a...

The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transition of the 1,6-hexanediol dimethacrylate (HDDMA) i...

In the last decades kinetic theory has developed into a very elegant and effective framework to handle a broad spectrum of problems involving complex states of flowing matter, far beyond the original realm of rarefied gas dynamics. In this paper, we present recent applications of the lattice Boltzmann method to the computational design of soft meso...

Droplet microfluidics, in which microdroplets 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 b...

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 biologicall...

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 due to inherently smal...

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 w...

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...

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 ti...

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 separatio...

We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared to the CPU version, using both an average cost GPU and high-end NVidia GPU cards (V100 and the latest A100). T...

We report new dynamical modes in confined soft granular flows, such as stochastic jetting and dripping, with no counterpart in continuum viscous fluids. The new modes emerge as a result of the propagation of the chaotic behavior of individual grains-here, monodisperse emulsion droplets-to the level of the entire system as the emulsion is focused in...

In their Comment 1 , Leys etal. question the modelling choice of our original study 2 to focus on the skeletal motifs of Euplectella aspergillum may not be suited to gain insight into the hydrodynamics within the body cavity of the sponge and its surroundings, based on two main arguments: in living sponges, (1) the skeleton is embedded within...

Numerical solving of the Boltzmann equation is a very demanding task. Fortunately, in most instances, such exploration can be restricted to a low-dimensional linear manifold of phase-space, spanned by a suitable subset of low order kinetic moments of the Boltzmann distribution. The identification of the most suitable manifold is problem-specific. I...

Photocurable polymers are used ubiquitously in 3D printing, coatings, adhesives, and composite fillers. In the present work, the free radical polymerization of photocurable compounds is studied using reactive classical molecular dynamics combined with a dynamical approach of the nonequilibrium molecular dynamics (D-NEMD). Different concentrations o...

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...

A suspension of nanoparticles with very low volume fraction is found to assemble into a macroscopic cellular phase that is composed of particle-rich walls and particle-free voids under the collective influence of AC and DC voltages. Systematic study of this phase transition shows that it was the result of electrophoretic assembly into a two-dimensi...

We report new dynamical modes in confined soft granular flows, such as stochastic jetting and dripping, with no counterpart in continuum viscous fluids. The new modes emerge as a result of the propagation of the chaotic behaviour of individual grains -- here, monodisperse emulsion droplets to the level of the entire system as the emulsion is focuse...

We present a new family of relativistic lattice kinetic schemes for the efficient simulation of relativistic flows in both strongly-interacting (fluid) and weakly-interacting (rarefied gas) regimes. The method can also deal with both massless and massive particles, thereby encompassing ultra-relativistic and mildly-relativistic regimes alike. The c...

We present LBcuda, a GPU accelerated version of LBsoft, our open-source MPI-based software for the simulation of multi-component colloidal flows. We describe the design principles, the optimization and the resulting performance as compared to the CPU version, using both an average cost GPU and high-end NVidia GPU cards (V100 and the latest A100). T...

The ribosome stalling mechanism is a crucial biological process, yet its atomistic underpinning is still elusive. In this framework, the human XBP1u translational arrest peptide (AP) plays a central role in regulating the unfolded protein response (UPR) in eukaryotic cells. Here, we report multimicrosecond all-atom molecular dynamics simulations de...

A suspension of nanoparticles with very low volume fraction is found to assemble into a macroscopic cellular phase under the collective influence of AC and DC voltages. Systematic study of this phase transition shows that it was the result of electrophoretic assembly into a two-dimensional configuration followed by spinodal decomposition into parti...

We present a deep learning-based object detection and object tracking algorithm to study droplet motion in dense microfluidic emulsions. The deep learning procedure is shown to correctly predict the droplets’ shape and track their motion at competitive rates as compared to standard clustering algorithms, even in the presence of significant deformat...

In this paper we numerically investigate the breakup dynamics of droplets in an emulsion flowing in a tapered microchannel with a narrow constriction. The mesoscale approach for multicomponent fluids with near contact interactions is shown to capture the deformation and breakup dynamics of droplets interacting within the constriction, in agreement...

In this paper, we numerically investigate the breakup dynamics of droplets in an emulsion flowing in a tapered microchannel with a narrow constriction. The mesoscale approach for multicomponent fluids with near contact interactions is shown to capture the deformation and breakup dynamics of droplets interacting within the constriction, in agreement...

The state-of-the-art deep learning-based object recognition YOLO algorithm and object tracking DeepSORT algorithm are combined to analyze digital images from fluid dynamic simulations of multi-core emulsions and soft flowing crystals and to track moving droplets within these complex flows. The YOLO network was trained to recognize the droplets with...

Since its discovery1,2, 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 damage3–6. Structural an...

The state-of-the-art deep learning-based object recognition YOLO algorithm and object tracking DeepSORT algorithm are combined to analyze digital images from fluid dynamic simulations of multi-core emulsions and soft flowing crystals and to track moving droplets within these complex flows. The YOLO network was trained to recognize the droplets with...

We present a numerical investigation of the airflow dynamics and particle transport through an averaged human nasal cavity. The effect of particle size and breathing rate on the deposition patterns are explored. The simulations reveal that smaller particles penetrate deeper into the airway, whereas larger particles agglomerate near the anterior por...

We perform a numerical study of thermal diffusion and diffusion thermo effects on double diffusive mixed convection in a driven square cavity, differentially heated and salted using a hybrid lattice Boltzmann solver. The multiple relaxation time (MRT) for the lattice Boltzmann equation is used to obtain the velocity field whereas the temperature an...

The ribosome stalling mechanism is a crucial biological process; yet its atomistic underpinning is still elusive. In this framework, the XBP1u translational arrest peptide (AP) plays a central role in regulating the Unfolded Protein Response (UPR) in eukaryotic cells. Here, we report multi-microseconds all atom molecular dynamics simulations design...

We present a new multistage method to study the N-Methyl-D-Aspartate (NMDA) neuroreceptor starting from the reconstruction of its crystallographic structure. Thanks to the combination of Homology Modelling, Molecular Dynamics and Lattice Boltzmann simulations, we analyse the allosteric transition of NDMA upon ligand binding and compute the receptor...

We present a new multiscale method to study the N-Methyl-D-Aspartate (NMDA) neuroreceptor starting from the reconstruction of its crystallographic structure. Thanks to the combination of homology modelling, Molecular Dynamics and Lattice Boltzmann simulations, we analyse the allosteric transition of NDMA upon ligand binding and compute the receptor...

We introduce a mesoscale approach for the simulation of multicomponent flows to model the direct-writing printing process, along with the early stage of ink deposition. As an application scenario, alginate solutions at different concentrations are numerically investigated alongside processing parameters, such as apparent viscosity, extrusion rate,...