arXiv subjects

S. Succi

Publications and source records attributed to S. Succi.

At least 55 records · Page 3Linked to original sources

arXiv2015

Lattice Boltzmann Model for Electronic Structure Simulations

Recently, a new connection between density functional theory and kinetic theory has been proposed. In particular, it was shown that the Kohn-Sham (KS) equations can be reformulated as a macroscopic limit of the steady-state solution of a suitable single-particle kinetic equation. By using a discrete version of this new formalism, the exchange and correlation energies of simple atoms and the geometrical configuration of the methane molecule were calculated accurately. Here, we discuss the main ideas behind the lattice kinetic approach to electronic structure computations, offer some considerations for prospective extensions, and also show additional numerical results, namely the geometrical configuration of the water molecule.

physics.chem-ph↗

arXiv2015

High-Order Kinetic Relaxation Schemes as High-Accuracy Poisson Solvers

We present a new approach to find accurate solutions to the Poisson equation, as obtained from the steady-state limit of a diffusion equation with strong source terms. For this purpose, we start from Boltzmann's kinetic theory and investigate the influence of higher order terms on the resulting macroscopic equations. By performing an appropriate expansion of the equilibrium distribution, we provide a method to remove the unnecessary terms up to a desired order and show that it is possible to find, with high level of accuracy, the steady-state solution of the diffusion equation for sizeable Knudsen numbers. In order to test our kinetic approach, we discretise the Boltzmann equation and solve the Poisson equation, spending up to six order of magnitude less computational time for a given precision than standard lattice Boltzmann methods.

physics.comp-ph↗

arXiv2014

Internal dynamics and activated processes in Soft-Glassy materials

Plastic rearrangements play a crucial role in the characterization of soft-glassy materials, such as emulsions and foams. Based on numerical simulations of soft-glassy systems, we study the dynamics of plastic rearrangements at the hydrodynamic scales where thermal fluctuations can be neglected. Plastic rearrangements require an energy input, which can be either provided by external sources, or made available through time evolution in the coarsening dynamics, in which the total interfacial area decreases as a consequence of the slow evolution of the dispersed phase from smaller to large droplets/bubbles. We first demonstrate that our hydrodynamic model can quantitatively reproduce such coarsening dynamics. Then, considering periodically oscillating strains, we characterize the number of plastic rearrangements as a function of the external energy-supply, and show that they can be regarded as activated processes induced by a suitable "noise" effect. Here we use the word noise in a broad sense, referring to the internal non-equilibrium dynamics triggered by spatial random heterogeneities and coarsening. Finally, by exploring the interplay between the internal characteristic time-scale of the coarsening dynamics and the external time-scale associated with the imposed oscillating strain, we show that the system exhibits the phenomenon of stochastic resonance, thereby providing further credit to the mechanical activation scenario.

cond-mat.soft↗

arXiv2014

Rheological properties of soft-glassy flows from hydro-kinetic simulations

Based on numerical simulations of a lattice kinetic model for soft-glassy materials, we characterize the global rheology of a dense emulsion-like system, under three representative load conditions: Couette flow, time-oscillating Strain and Kolmogorov flow. It is found that in all cases the rheology is described by a Herschel-Bulkley (HB) relation, $σ= σ_{Y} + A S^β$, with the yield stress $σ_{Y}$ largely independent of the loading scenario. A proper rescaling of the HB parameters permits to describe heterogeneous flows with space-dependent stresses, based on the notion of cooperativity, as recently proposed to characterize the degree of non-locality of stress relaxation phenomena in soft-glassy materials.

cond-mat.soft↗

arXiv2014

Direct evidence of plastic events and dynamic heterogeneities in soft-glasses

By using fluid-kinetic simulations of confined and concentrated emulsion droplets, we investigate the nature of space non-homogeneity in soft-glassy dynamics and provide quantitative measurements of the statistical features of plastic events in the proximity of the yield-stress threshold. Above the yield stress, our results show the existence of a finite stress correlation scale, which can be mapped directly onto the {\it cooperativity scale}, recently introduced in the literature to capture non-local effects in the soft-glassy dynamics. In this regime, the emergence of a separate boundary (wall) rheology with higher fluidity than the bulk, is highlighted in terms of near-wall spontaneous segregation of plastic events. Near the yield stress, where the cooperative scale cannot be estimated with sufficient accuracy, the system shows a clear increase of the stress correlation scale, whereas plastic events exhibit intermittent clustering in time, with no preferential spatial location. A quantitative measurement of the space-time correlation associated with the motion of the interface of the droplets is key to spot the long-range amorphous order at the yield stress threshold.

cond-mat.soft↗

arXiv2013

Formal analogy between the Dirac equation in its Majorana form and the discrete-velocity version of the Boltzmann kinetic equation

We point out a formal analogy between the Dirac equation in Majorana form and the discrete-velocity version of the Boltzmann kinetic equation. By a systematic analysis based on the theory of operator splitting, this analogy is shown to turn into a concrete and efficient computational method, providing a unified treatment of relativistic and non-relativistic quantum mechanics. This might have potentially far-reaching implications for both classical and quantum computing, because it shows that, by splitting time along the three spatial directions, quantum information (Dirac-Majorana wavefunction) propagates in space-time as a classical statistical process (Boltzmann distribution).

quant-ph↗

arXiv2013

Relativistic effects on the Richtmyer-Meshkov instability

Theoretical and numerical analysis of the relativistic effects on the Richtmyer-Meshkov (RM) instability reveals new and potentially very useful effects. We find that, in contrast with the non- relativistic case, the growth rate of the RM instability depends strongly on the equation of state of the fluid, opening up the possibility to infer equations of state from experimental observations of the RM instability. As opposed to the non-relativistic case, we also discover that, above a critical value of the fluid velocity, the growth rate of the instability counter-intuitively decreases due to the Lorentz's factor, and vanishes in the ultrarelativistic limit, as the speed of the particles approaches the speed of light. Both effects might prove very useful for leading-edge applications, such as the study of the equation of state of quark-gluon matter, and the design of fast ignition inertial confinement fusion (ICF) schemes. We perform a linear stability analysis to characterize the instability, for an arbitrary equation of state, and implement numerical simulations to study the instability in the non-linear regime, using the equation of state of an ideal gas. Furthermore, based on the numerical results, we propose a general expression that characterizes the long term evolution of the instability.

astro-ph.HE↗

arXiv2013

Kinetic Formulation of the Kohn-Sham Equations for ab initio Electronic Structure Calculations

We introduce a new approach to density functional theory based on kinetic theory, showing that the Kohn-Sham equations can be derived as a macroscopic limit of a suitable Boltzmann kinetic equation in the limit of small mean free path versus the typical scale of density gradients (Chapman-Enskog expansion). To derive the approach, we first write the Schrödinger equation as a special case of a Boltzmann equation for a gas of quasi-particles, with the potential playing the role of an external source that generates and destroys particles, so as to drive the system towards the ground state. The ions are treated as classical particles, using the Born-Oppenheimer dynamics, or by imposing concurrent evolution with the electronic orbitals. In order to provide quantitative support to our approach, we implement a discrete (lattice) model and compute, the exchange and correlation energies of simple atoms, and the geometrical configuration of the methane molecule. Excellent agreement with values in the literature is found.

physics.chem-ph↗

arXiv2013

Lattice Boltzmann model for ultra-relativistic flows

We develop a relativistic lattice Boltzmann model capable of describing relativistic fluid dynamics at ultra-high velocities, with Lorentz factors up to $γ\sim 10$. To this purpose, we first build a new lattice kinetic scheme by expanding the Maxwell-Jüttner distribution function in an orthogonal basis of polynomials and applying an appropriate quadrature, providing the discrete versions of the relativistic Boltzmann equation and the equilibrium distribution. To achieve ultra-high velocities, we include a flux limiter scheme, and introduce the bulk viscosity by a suitable extension of the discrete relativistic Boltzmann equation. The model is validated by performing simulations of shock waves in viscous quark-gluon plasmas and comparing with existing models, finding very good agreement. To the best of our knowledge, we for the first time successfully simulate viscous shock waves in the highly relativistic regime. Moreover, we show that our model can also be used for near-inviscid flows even at very high velocities. Finally, as an astrophysical application, we simulate a relativistic shock wave, generated by, say, a supernova explosion, colliding with a massive interstellar cloud, e.g. molecular gas.

astro-ph.HE↗

arXiv2013

Dynamic crossover length in soft-glassy materials

Based upon mesoscale simulations of binary mixtures with very low surface tension and positive disjoining pressure (frustration), we measure the correlation length of the stress field within the flowing mixture, as a function of the frequency of the applied load. Two scaling regimes are clearly identified, with a sharp crossover between the liquid and solid regions, with exponent -1/2 and -1, respectively. The crossover correlation length is shown to be closely connected to the typical scale of the coherent excitations of the density field, whose collective dynamics is shown to be responsible for non-trivial rheological effects including the emergence of yield stress.

cond-mat.soft↗

arXiv2013

Hydrodynamic Model for Conductivity in Graphene

Based on the recently developed picture of an electronic ideal relativistic fluid at the Dirac point, we present an analytical model for the conductivity in graphene that is able to describe the linear dependence on the carrier density and the existence of a minimum conductivity. The model treats impurities as submerged rigid obstacles, forming a disordered medium through which graphene electrons flow, in close analogy with classical fluid dynamics. To describe the minimum conductivity, we take into account the additional carrier density induced by the impurities in the sample. The model, which predicts the conductivity as a function of the impurity fraction of the sample, is supported by extensive simulations for different values of ${\cal E}$, the dimensionless strength of the electric field, and provides excellent agreement with experimental data.

cond-mat.mes-hall↗

arXiv2013

Ultrarelativistic Transport Coefficients in Two Dimensions

We compute the shear and bulk viscosities, as well as the thermal conductivity of an ultrarelativistic fluid obeying the relativistic Boltzmann equation in 2+1 space-time dimensions. The relativistic Boltzmann equation is taken in the single relaxation time approximation, based on two approaches, the first, due to Marle and using the Eckart decomposition, and the second, proposed by Anderson and Witting and using the Landau-Lifshitz decomposition. In both cases, the local equilibrium is given by a Maxwell-Juettner distribution. It is shown that, apart from slightly different numerical prefactors, the two models lead to a different dependence of the transport coefficients on the fluid temperature, quadratic and linear, for the case of Marle and Anderson-Witting, respectively. However, by modifying the Marle model according to the prescriptions given in Ref.[1], it is found that the temperature dependence becomes the same as for the Anderson-Witting model.

cond-mat.stat-mech↗

arXiv2013

Relativistic Lattice Boltzmann Model with Improved Dissipation

We develop a relativistic lattice Boltzmann (LB) model, providing a more accurate description of dissipative phenomena in relativistic hydrodynamics than previously available with existing LB schemes. The procedure applies to the ultra-relativistic regime, in which the kinetic energy (temperature) far exceeds the rest mass energy, although the extension to massive particles and/or low temperatures is conceptually straightforward. In order to improve the description of dissipative effects, the Maxwell-Juettner distribution is expanded in a basis of orthonormal polynomials, so as to correctly recover the third order moment of the distribution function. In addition, a time dilatation is also applied, in order to preserve the compatibility of the scheme with a cartesian cubic lattice. To the purpose of comparing the present LB model with previous ones, the time transformation is also applied to a lattice model which recovers terms up to second order, namely up to energy-momentum tensor. The approach is validated through quantitative comparison between the second and third order schemes with BAMPS (the solution of the full relativistic Boltzmann equation), for moderately high viscosity and velocities, and also with previous LB models in the literature. Excellent agreement with BAMPS and more accurate results than previous relativistic lattice Boltzmann models are reported.

physics.comp-ph↗

arXiv2012

Taylor-Couette Instability in General Manifolds: A Lattice Kinetic Approach

We present a new lattice kinetic method to simulate fluid dynamics in curvilinear geometries. A suitable discrete Boltzmann equation is solved in contravariant coordinates, and the equilibrium distribution function is obtained by a Hermite polynomials expansion of the Maxwell-Boltzmann distribution, expressed in terms of the contravariant coordinates and the metric tensor. To validate the model, we calculate the critical Reynolds number for the onset of the Taylor-Couette instability between two concentric cylinders, obtaining excellent agreement with the theory. In order to extend this study to more general geometries, we also calculate the critical Reynolds number for the case of two concentric spheres, finding good agreement with experimental data. In the case of two concentric tori, we have found that the critical Reynolds is about 10% larger than the respective value for the two concentric cylinders.

physics.flu-dyn↗

arXiv2012

Single to Double Hump Transition in the Equilibrium Distribution Function of Relativistic Particles

We unveil a transition from single peaked to bimodal velocity distribution in a relativistic fluid under increasing temperature, in contrast with a non-relativistic gas, where only a monotonic broadening of the bell-shaped distribution is observed. Such transition results from the interplay between the raise in thermal energy and the constraint of maximum velocity imposed by the speed of light. We study the Bose-Einstein, the Fermi-Dirac, and the Maxwell-Jüttner distributions, all exhibiting the same qualitative behavior. We characterize the nature of the transition in the framework of critical phenomena and show that it is either continuous or discontinuous, depending on the group velocity. We analyze the transition in one, two, and three dimensions, with special emphasis on two-dimensions, for which a possible experiment in graphene, based on the measurement of the Johnson-Nyquist noise, is proposed.

cond-mat.stat-mech↗

arXiv2012

Klein Tunneling in the presence of random impurities

In this paper, we study Klein tunneling in random media. To this purpose, we simulate the propagation of a relativistic Gaussian wavepacket through a graphene sample with randomly distributed potential barriers (impurities). The simulations, based on a relativistic quantum lattice Boltzmann method, permit to compute the transmission coefficient across the sample, thereby providing an estimate for the conductivity as a function of impurity concentration and strength of the potentials. It is found that the conductivity loss due to impurities is significantly higher for wave-packets of massive particles, as compared to massless ones. A general expression for the loss of conductivity as a function of the impurity percentage is presented and successfully compared with the Kozeny-Carman law for disordered media in classical fluid dynamics.

cond-mat.mes-hall↗

arXiv2012

Pre-Turbulent Regimes in Graphene Flows

We provide numerical evidence that electronic pre-turbulent phenomena in graphene could be observed, under current experimental conditions, through detectable current fluctuations, echoing the detachment of vortices past localized micron-sized impurities. Vortex generation, due to micron sized constriction, is also explored with special focus on the effects of relativistic corrections to the normal Navier-Stokes equations. These corrections are found to cause a delay in the stability breakout of the fluid as well as a small shift in the vortex shedding frequency. Finally, a relation between the Strouhal number, a dimensionless measure of the vortex shedding frequency, and the Reynolds number is provided under conditions of interest for future experiments.

cond-mat.mes-hall↗

arXiv2011

Analogy between turbulence and quantum gravity: beyond Kolmogorov's 1941 theory

Simple arguments based on the general properties of quantum fluctuations have been recently shown to imply that quantum fluctuations of spacetime obey the same scaling laws of the velocity fluctuations in a homogeneous incompressible turbulent flow, as described by Kolmogorov 1941 (K41) scaling theory. Less noted, however, is the fact that this analogy rules out the possibility of a fractal quantum spacetime, in contradiction with growing evidence in quantum gravity research. In this Note, we show that the notion of a fractal quantum spacetime can be restored by extending the analogy between turbulence and quantum gravity beyond the realm of K41 theory. In particular, it is shown that compatibility of a fractal quantum-space time with the recent Horava-Lifshitz scenario for quantum gravity, implies singular quantum wavefunctions. Finally, we propose an operational procedure, based on Extended Self-Similarity techniques, to inspect the (multi)-scaling properties of quantum gravitational fluctuations.

gr-qc↗