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Preface to DSFD 2021

Communications in Computational Physics 2023年第1期33卷 I0001-I0003页

作者： Giacomo Falcucci sauro succi Marco Lauricella University of Rome“Tor Vergata” RomeItaly Harvard UniversityCambridgeMAUSA Italian Institute of Technology RomeItaly Harvard UniversityCambridgeMAUSA IAC-CNR RomeItaly

DSFD 2021,the 30th edition of the Discrete Simulation of Fluid Dynamics,took place again at University of Tuscia,Viterbo,Italy on September *** to the persisting uncertainties associated with the COVID-19 pandemics it... 详细信息

关键词： DSFD again Preface

Hydrodynamic Performance of Euplectella aspergillum:Simulating Real Life Conditions in the Abyss

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Communications in Computational Physics 2023年第1期33卷 273-282页

作者： Giacomo Falcucci Giorgio Amati Pierluigi Fanelli sauro succi Maurizio Porfiri Department of Enterprise Engineering“Mario Lucertini” University of Rome“Tor Vergata”RomeItaly Department of Physics Harvard UniversityCambridgeMAUSA High Performance Computing Department CINECA Rome SectionRomeItaly DEIM School of EngineeringUniversity of TusciaViterboItaly Italian Institute of Technology Center for Life Nano-and Neuro-ScienceRomeItaly National Research Council of Italy–Institute for Applied Computing(IAC) RomeItaly Department of Biomedical Engineering Tandon School of EngineeringNew York UniversityNew YorkNYUSA Department of Mechanical and Aerospace Engineering Tandon School of EngineeringNew York UniversityNew YorkNYUSA Center for Urban Science and Progress Tandon School of EngineeringNew York UniversityNew YorkNYUSA

We detail some of the understudied aspects of the flow inside and around the Hexactinellid Sponge Euplectella *** 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 between 100 and 1,000 *** large-scale simulations unveil potential clues on the evolutionary adaptations of these deep-sea sponges in response to the surrounding fluid flow,and they open the path to future investigations at the interface between physics,engineering and biology.

关键词： Lattice Boltzmann method fluid-structure interaction sponge hydrodynamics high performance computing complex boundary conditions

Multiscale Hybrid Modeling of Proteins in Solvent:SARS-CoV2 Spike Protein as Test Case for Lattice Boltzmann-All Atom Molecular Dynamics Coupling

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Communications in Computational Physics 2023年第1期33卷 57-76页

作者： Marco Lauricella Letizia Chiodo Fabio Bonaccorso Mihir Durve Andrea Montessori Adriano Tiribocchi Alessandro Loppini Simonetta Filippi sauro succi Consiglio Nazionale delle Ricerche Istituto per le Applicazioni del Calcolo IAC-CNR00185Rome Italy Engineering Department Campus Bio-Medico University00128RomeItaly Physics Department and INFN University of Rome“Tor Vergata”00133 RomeItaly Istituto Italiano di Tecnologia Center for Life Nano-&Neuro-Science@Sapienza-IIT00161RomeItaly Engineering Department Universit´a degli Studi Roma TREvia Vito Volterra 62Rome00146Italy

Physiological solvent flows surround biological structures triggering therein collective *** examples are virus/host-cell interactions and solventmediated allosteric *** 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 *** 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 *** equilibriumproperties of the wild-type spike and of the Alpha variant in implicit solvent are described by suitable *** mesoscopic solvent description is critically compared to the all-atom solvent model,to quantify the advantages and limitations of the mesoscopic fluid description.

关键词： SARS-CoV-2 biophysics lattice Boltzmann molecular dynamics

A Generalised Lattice Boltzmann Equation on Unstructured Grids

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Communications in Computational Physics 2008年第2期3卷 342-356页

作者： Stefano Ubertini sauro succi Universit`a degli Studi di Roma “Tor Vergata”Dip.Ingegneria MeccanicaVia del Politecnico10133 RomaItalia Istituto Applicazioni del Calcolo CNR Via del Policlinico13700161 RomaItalia.

This paper presents a new finite-volume discretization of a generalised LatticeBoltzmann equation (LBE) on unstructured grids. This equation is the continuumLBE, with the addition of a second order time derivative term (memory), and is derivedfrom a second-order differential form of the semi-discrete Boltzmann equationin its implicit form. The new scheme, named unstructured lattice Boltzmann equationwith memory (ULBEM), can be advanced in time with a larger time-step than the previousunstructured LB formulations, and a theoretical demonstration of the improvedstability is provided. Taylor vortex simulations show that the viscosity is the same aswith standard ULBE and demonstrates that the new scheme improves both stabilityand accuracy. Model validation is also demonstrated by simulating backward-facingstep flow at low and moderate Reynolds numbers, as well as by comparing the reattachmentlength of the recirculating eddy behind the step against experimental andnumerical data available in literature.

关键词： Lattice Boltzmann equation finite-volumes unstructured grids memory term.

The Quantum Lattice Boltzmann Equation:Recent Developments

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Communications in Computational Physics 2008年第10期4卷 980-1007页

作者： Silvia Palpacelli sauro succi Dipartimento di Matematica Universit`a Roma TreLargo San Leonardo Murialdo 100146RomaItaly Istituto Applicazioni del Calcolo Viale Policlinico 13700161 RomaItaly

The derivation of the quantum lattice Boltzmann model is reviewed with special emphasis on recent developments of the model,namely,the extension to a multi-dimensional formulation and the application to the computation of the ground state of the Gross-Pitaevskii equation(GPE).Numerical results for the linear and nonlinear Schr odinger equation and for the ground state solution of the GPE are also presented and validated against analytical results or other classical schemes such as Crank-Nicholson.

关键词： Quantum lattice Boltzmann multi-dimensions imaginary-time model linear and non-linear Schrodinger equation adiabatic limit

Prospective Merger Between Car-Parrinello and Lattice Boltzmann Methods for Quantum Many-Body Simulations

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Communications in Computational Physics 2011年第5期9卷 1137-1151页

作者： sauro succi Silvia Palpacelli Istituto Applicazioni Calcolo CNRvia dei Taurini 1900185 RomaItaly Freiburg Institute for Advanced Studies Albert-Ludwigs-Universität Freiburg Albertstraβe 19D-79104 Freiburg i.Br.Germany Numidia s.r.l. via Berna 3100144 RomaItaly

Formal analogies between the Car-Parrinello(CP)ab-initio molecular dynamics for quantum many-body systems,and the Lattice Boltzmann(LB)method for classical and quantum fluids,are pointed out.A theoretical scenario,whereby the quantum LB would be coupled to the CP framework to speed-up many-body quantum simulations,is also discussed,together with accompanying considerations on the computational efficiency of the prospective CP-LB scheme.

关键词： Quantum many-body problems Car-Parrinello ab-initio molecular dynamics lattice Boltzmann method

In memory of Steven Alan Orszag(1943-2011)

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Communications in Computational Physics 2013年第3期13卷 I0001-I0002页

作者： sauro succi Istituto Applicazioni Calcolo CNRvia dei Taurini 900185RomaItaly

I first met Steve in his Fine Hall office in Princeton,back in *** many years he had been one my biggest heroes and I was obviously very excited,and a bit tense at the prospect of meeting him in *** day it all went perfectly smoothly,and so too was the case on the very many occasions we had the chance to meet again during the next twenty years,in Princeton,Boston,Yale,Maine,and occasionally Rome.

关键词： smoothly Boston office

A New Boundary Condition for Three-Dimensional Lattice Boltzmann Simulations of Capillary Filling in Rough Micro-Channels

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Communications in Computational Physics 2011年第5期9卷 1284-1292页

作者： Alessandro De Maio Silvia Palpacelli sauro succi Numidia s.r.l. via Berna 3100144 RomaItaly Istituto Applicazioni Calcolo CNRvia dei Taurini 1900185 RomaItaly Freiburg Institute for Advanced Studies School of Soft Matter ResearchAlbertstr.1979104 Freiburg im BreisgauFreiburgGermany

A new boundary condition,aimed at inhibiting near-wall condensation effects in lattice Boltzmann simulations of capillary flows in micro-corrugated channels,is *** new boundary condition is validated against analytical solutions for smooth channels and demonstrated for the case of three-dimensional microflows over randomly corrugated walls.

关键词： Microfluidics capillary flows lattice Boltzmann simulation

Lattice Boltzmann Simulation of Cavitating Flows

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Communications in Computational Physics 2013年第3期13卷 685-695页

作者： Giacomo Falcucci Stefano Ubertini Gino Bella sauro succi Department of Technologies University of Naples“Parthenope”Centro Direzionale-Isola C480143 NaplesItaly DEIM-Industrial Engineering School University of TusciaLargo dell’Universita s.n.c.01100ViterboItaly Department of Mechanical Engineering University of“Tor Vergata”Viale PolitecnicoRomeItaly Istituto per le Applicazioni del Calcolo-CNR Via dei Taurini00100 RomaItaly

The onset of cavitating conditions inside the nozzle of liquid injectors is known to play a major role on spray characteristics,especially on jet penetration and *** this work,we present a Direct Numerical Simulation(DNS)based on the Lattice Boltzmann Method(LBM)to study the fluid dynamic field inside the nozzle of a cavitating *** formation of the cavitating region is determined via a multi-phase approach based on the Shan-Chen equation of *** results obtained by the LBM simulation show satisfactory agreement with both numerical and experimental *** addition,numerical evidence of bubble break-up,following upon flow-induced cavitation,is also reported.

关键词： Lattice Boltzmann multiphase flows cavitation liquid spray nozzle