arXiv subjects

Sauro Succi

Publications and source records attributed to Sauro Succi.

At least 199 records · Page 11Linked to original sources

arXiv2014

Regularization of the slip length divergence in water nanoflows by inhomogeneities at the Angstrom scale

We performed non-equilibrium Molecular Dynamics simulations of water flow in nano-channels with the aim of discriminating {\it static} from {\it dynamic} contributions of the solid surface to the slip length of the molecular flow. We show that the regularization of the slip length divergence at high shear rates, formerly attributed to the wall dynamics, is controlled instead by its static properties. Surprisingly, we find that atomic displacements at the Angstrom scale are sufficient to remove the divergence of the slip length and realize the no-slip condition. Since surface thermal fluctuations at room temperature are enough to generate these displacements, we argue that the no-slip condition for water can be achieved also for ideal surfaces, which do not present any surface roughness.

cond-mat.soft↗

arXiv2014

Polar coordinate lattice Boltzmann modeling of compressible flows

We present a polar coordinate lattice Boltzmann kinetic model for compressible flows. A method to recover the continuum distribution function from the discrete distribution function is indicated. Within the model, a hybrid scheme being similar to, but different from, the operator splitting is proposed. The temporal evolution is calculated analytically, and the convection term is solved via a modifiedWarming-Beam (MWB) scheme.Within theMWB scheme a suitable switch function is introduced. The current model works not only for subsonic flows but also for supersonic flows. It is validated and verified via the following well-known benchmark tests: (i) the rotational flow, (ii) the stable shock tube problem, (iii) the Richtmyer-Meshkov (RM) instability, and (iv) the Kelvin-Helmholtz instability. As an original application, we studied the nonequilibrium characteristics of the system around three kinds of interfaces, the shock wave, the rarefaction wave, and the material interface, for two specific cases. In one of the two cases, the material interface is initially perturbed, and consequently the RMinstability occurs. It is found that themacroscopic effects due to deviating from thermodynamic equilibrium around thematerial interface differ significantly from those around the mechanical interfaces. The initial perturbation at the material interface enhances the coupling of molecular motions in different degrees of freedom. The amplitude of deviation from thermodynamic equilibrium around the shock wave is much higher than those around the rarefaction wave and material interface. By comparing each component of the high-order moments and its value in equilibrium, we can draw qualitatively the main behavior of the actual distribution function.

cond-mat.soft↗

arXiv2013

The Z-index: A geometric representation of productivity and impact which accounts for information in the entire rank-citation profile

We present a simple generalization of Hirsch's h-index, Z = \sqrt{h^{2}+C}/\sqrt{5}, where C is the total number of citations. Z is aimed at correcting the potentially excessive penalty made by h on a scientist's highly cited papers, because for the majority of scientists analyzed, we find the excess citation fraction (C-h^{2})/C to be distributed closely around the value 0.75, meaning that 75 percent of the author's impact is neglected. Additionally, Z is less sensitive to local changes in a scientist's citation profile, namely perturbations which increase h while only marginally affecting C. Using real career data for 476 physicists careers and 488 biologist careers, we analyze both the distribution of $Z$ and the rank stability of Z with respect to the Hirsch index h and the Egghe index g. We analyze careers distributed across a wide range of total impact, including top-cited physicists and biologists for benchmark comparison. In practice, the Z-index requires the same information needed to calculate h and could be effortlessly incorporated within career profile databases, such as Google Scholar and ResearcherID. Because Z incorporates information from the entire publication profile while being more robust than h and g to local perturbations, we argue that Z is better suited for ranking comparisons in academic decision-making scenarios comprising a large number of scientists.

physics.soc-ph↗

arXiv2012

Lattice operators from discrete hydrodynamics

We present a general scheme to derive lattice differential operators from the discrete velocities and associated Maxwell-Boltzmann distributions used in lattice hydrodynamics. Such discretizations offer built-in isotropy and recursive techniques to increase the convergence order. This provides a simple and elegant procedure to derive isotropic and accurate discretizations of differential operators, which are expected to apply across a broad range of problems in computational physics.

physics.comp-ph↗

arXiv2012

Isotropic discrete Laplacian operators from lattice hydrodynamics

We show that discrete schemes developed for lattice hydrodynamics provide an elegant and physically transparent way of deriving Laplacians with isotropic discretisation error. Isotropy is guaranteed whenever the Laplacian weights follow from the discrete Maxwell-Boltzmann equilibrium since these are, by construction, isotropic on the lattice. We also point out that stencils using as few as 15 points in three dimensions, generate isotropic Laplacians. These computationally efficient Laplacians can be used in cell-dynamical and hybrid lattice Boltzmann simulations, in favor of popular anisotropic Laplacians, which make use of larger stencils. The method can be extended to provide discretisations of higher order and for other differential operators, such the gradient, divergence and curl.

physics.comp-ph↗

arXiv2011

Towards a mesoscopic model of water-like fluids with hydrodynamic interactions

We present a mesoscopic lattice model for non-ideal fluid flows with directional interactions, mimicking the effects of hydrogen-bonds in water. The model supports a rich and complex structural dynamics of the orientational order parameter, and exhibits the formation of disordered domains whose size and shape depend on the relative strength of directional order and thermal diffusivity. By letting the directional forces carry an inverse density dependence, the model is able to display a correlation between ordered domains and low density regions, reflecting the idea of water as a denser liquid in the disordered state than in the ordered one.

cond-mat.mes-hall↗

arXiv2011

Statistical regularities in the rank-citation profile of scientists

Recent "science of science" research shows that scientific impact measures for journals and individual articles have quantifiable regularities across both time and discipline. However, little is known about the scientific impact distribution at the scale of an individual scientist. We analyze the aggregate scientific production and impact of individual careers using the rank-citation profile c_{i}(r) of 200 distinguished professors and 100 assistant professors. For the entire range of paper rank r, we fit each c_{i}(r) to a common distribution function that is parameterized by two scaling exponents. Since two scientists with equivalent Hirsch h-index can have significantly different c_{i}(r) profiles, our results demonstrate the utility of the β_{i} scaling parameter in conjunction with h_{i} for quantifying individual publication impact. We show that the total number of citations C_{i} tallied from a scientist's N_{i} papers scales as C_{i} \sim h_{i}^{1+β_{i}}. Such statistical regularities in the input-output patterns of scientists can be used as benchmarks for theoretical models of career progress.

physics.soc-ph↗

arXiv2011

Lattice Boltzmann Method for Electromagnetic Wave Propagation

We present a new Lattice Boltzmann (LB) formulation to solve the Maxwell equations for electromagnetic (EM) waves propagating in a heterogeneous medium. By using a pseudo-vector discrete Boltzmann distribution, the scheme is shown to reproduce the continuum Maxwell equations. The technique compares well with a pseudo-spectral method at solving for two-dimensional wave propagation in a heterogeneous medium, which by design contains substantial contrasts in the refractive index. The extension to three dimensions follows naturally and, owing to the recognized efficiency of LB schemes for parallel computation in irregular geometries, it gives a powerful method to numerically simulate a wide range of problems involving EM wave propagation in complex media.

astro-ph.IM↗

arXiv2010

Shear Banding from lattice kinetic models with competing interactions

Soft Glassy Materials, Non Linear Rheology, Lattice Kinetic models, frustrated phase separation} We present numerical simulations based on a Boltzmann kinetic model with competing interactions, aimed at characterizating the rheological properties of soft-glassy materials. The lattice kinetic model is shown to reproduce typical signatures of driven soft-glassy flows in confined geometries, such as Herschel-Bulkley rheology, shear-banding and histeresys. This lends further credit to the present lattice kinetic model as a valuable tool for the theoretical/computational investigation of the rheology of driven soft-glassy materials under confinement.

cond-mat.soft↗

arXiv2010

Multiple-Relaxation-Time Lattice Boltzmann Approach to Compressible Flows with Flexible Specific-Heat Ratio and Prandtl Number

A new multiple-relaxation-time lattice Boltzmann scheme for compressible flows with arbitrary specific heat ratio and Prandtl number is presented. In the new scheme, which is based on a two-dimensional 16-discrete-velocity model, the moment space and the corresponding transformation matrix are constructed according to the seven-moment relations associated with the local equilibrium distribution function. In the continuum limit, the model recovers the compressible Navier-Stokes equations with flexible specific-heat ratio and Prandtl number. Numerical experiments show that compressible flows with strong shocks can be simulated by the present model up to Mach numbers $Ma \sim 5$.

cond-mat.soft↗

arXiv2009

Quantized biopolymer translocation through nanopores: departure from simple scaling

We discuss multiscale simulations of long biopolymer translocation through wide nanopores that can accommodate multiple polymer strands. The simulations provide clear evidence of folding quantization, namely, the translocation proceeds through multi-folded configurations characterized by a well-defined integer number of folds. As a consequence, the translocation time acquires a dependence on the average folding number, which results in a deviation from the single-exponent power-law characterizing single-file translocation through narrow pores. The mechanism of folding quantization allows polymers above a threshold length (approximately $1,000$ persistence lengths for double-stranded DNA) to exhibit cooperative behavior and as a result to translocate noticeably faster.

physics.bio-ph↗

arXiv2009

Numerical simulation of conformational variability in biopolymer translocation through wide nanopores

Numerical results on the translocation of long biopolymers through mid-sized and wide pores are presented. The simulations are based on a novel methodology which couples molecular motion to a mesoscopic fluid solvent. Thousands of events of long polymers (up to 8000 monomers) are monitored as they pass through nanopores. Comparison between the different pore sizes shows that wide pores can host a larger number of multiple biopolymer segments, as compared to smaller pores. The simulations provide clear evidence of folding quantization in the translocation process as the biopolymers undertake multi-folded configurations, characterized by a well-defined integer number of folds. Accordingly, the translocation time is no longer represented by a single-exponent power law dependence on the length, as it is the case for single-file translocation through narrow pores. The folding quantization increases with the biopolymer length, while the rate of translocated beads at each time step is linearly correlated to the number of resident beads in the pore. Finally, analysis of the statistics over the translocation work unravels the importance of the hydrodynamic interactions in the process.

physics.bio-ph↗

arXiv2008

Hydrodynamic correlations in the translocation of biopolymer through a nanopore: theory and multiscale simulations

We investigate the process of biopolymer translocation through a narrow pore using a multiscale approach which explicitly accounts for the hydrodynamic interactions of the molecule with the surrounding solvent. The simulations confirm that the coupling of the correlated molecular motion to hydrodynamics results in significant acceleration of the translocation process. Based on these results, we construct a phenomenological model which incorporates the statistical and dynamical features of the translocation process and predicts a power law dependence of the translocation time on the polymer length with an exponent $α$ $\approx 1.2$. The actual value of the exponent from the simulations is $α= 1.28 \pm 0.01$, which is in excellent agreement with experimental measurements of DNA translocation through a nanopore, and is not sensitive to the choice of parameters in the simulation. The mechanism behind the emergence of such a robust exponent is related to the interplay between the longitudinal and transversal dynamics of both translocated and untranslocated segments. The connection to the macroscopic picture involves separating the contributions from the blob shrinking and shifting processes, which are both essential to the translocation dynamics.

physics.bio-ph↗

arXiv2008

Mesoscopic lattice Boltzmann modeling of flowing soft systems

A mesoscopic multi-component lattice Boltzmann model with short-range repulsion between different species and short/mid-ranged attractive/repulsive interactions between like-molecules is introduced. The interplay between these composite interactions gives rise to a rich configurational dynamics of the density field, exhibiting many features of disordered liquid dispersions (micro-emulsions) and soft-glassy materials, such as long-time relaxation due to caging effects, anomalous enhanced viscosity, ageing effects under moderate shear and flow above a critical shear rate.

cond-mat.soft↗

arXiv2008

Capillary filling with randomly coated walls

The motion of an air-fluid interface through an irregularly coated capillary is studied by analysing the Lucas-Washburn equation with a random capillary force. The pinning probability goes from zero to a maximum value, as the interface slows down. Under a critical velocity, the distribution of waiting times $τ$ displays a power-law tail $\sim τ^{-2}$ which corresponds to a strongly intermittent dynamics, also observed in experiments. We elaborate a procedure to predict quantities of experimental interest, such as the average interface trajectory and the distribution of pinning lengths.

physics.flu-dyn↗

arXiv2008

Quantized current blockade and hydrodynamic correlations in biopolymer translocation through nanopores: evidence from multiscale simulations

We present a detailed description of biopolymer translocation through a nanopore in the presence of a solvent, using an innovative multi-scale methodology which treats the biopolymer at the microscopic scale as combined with a self-consistent mesoscopic description for the solvent fluid dynamics. We report evidence for quantized current blockade depending on the folding configuration and offer detailed information on the role of hydrodynamic correlations in speeding-up the translocation process.

physics.comp-ph↗

arXiv2007

Parallel multiscale modeling of biopolymer dynamics with hydrodynamic correlations

We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Molecular Dynamics (MD) with a mesoscopic Lattice Boltzmann (LB) method for the solvent dynamics, explicitly taking into account the interactions of the molecule with the surrounding fluid. We describe an efficient parallel implementation of the method which exhibits excellent scalability on the Blue Gene platform. We investigate both dynamical and statistical aspects of the translocation process by simulating polymers of various initial configurations and lengths. For a representative molecule size, we explore the effects of important parameters that enter in the simulation, paying particular attention to the strength of the molecule-solvent coupling and of the external electric field which drives the translocation process. Finally, we explore the connection between the generic polymers modeled in the simulation and DNA, for which interesting recent experimental results are available.

physics.comp-ph↗

arXiv2007

Coupling Lattice Boltzmann with Atomistic Dynamics for the multiscale simulation of nano-biological flows

We describe a recent multiscale approach based on the concurrent coupling of constrained molecular dynamics for long biomolecules with a mesoscopic lattice Boltzmann treatment of solvent hydrodynamics. The multiscale approach is based on a simple scheme of exchange of space-time information between the atomistic and mesoscopic scales and is capable of describing self-consistent hydrodynamic effects on molecular motion at a computational cost which scales linearly with both solute size and solvent volume. For an application of our multiscale method, we consider the much studied problem of biopolymer translocation through nanopores: we find that the method reproduces with remarkable accuracy the statistical scaling behavior of the translocation process and provides valuable insight into the cooperative aspects of biopolymer and hydrodynamic motion.

physics.bio-ph↗