Three-Dimensional Direct Numerical Simulation of Flow past A Near-Wall Circular Cylinder:Combined Effects of Gap Ratio and Boundary Layer Thickness on Flow Profiles and Pressure Distribution

Three-dimensional direct numerical simulations of the wake flow downstream of a near-wall circular cylinder at different gap ratios and boundary layer thicknesses are carried out by using the iterative immersed boundary method.The non-dimensional gap between the cylinder and the wall,G/D=0.2,0.6 and 1.0,the non-dimensional boundary layer thickness,δ/D=0.0,0.7 and 1.6,the Reynolds number,Re=350,and the aspect ratio of the cylinder,L/D=25are adopted.High-resolution visualizations of the complex vortex structures at differentδ/D and G/D are presented.The transition of the streamwise vortex mode,the combined effects ofδ/D and G/D on the flow statistics,the pressure and shear stress distribution and the hydrodynamic forces are analyzed.Results show that with decreasing G/D and increasingδ/D,the gap flow and its vortex-shedding are significantly weakened,together with an elongated wake and an enlarged low-velocity area near the wall,leading to the wake mode transition from the two-sided to one-sided vortex-shedding.Different relative positions of the cylinder regarding the boundary layer alter the flow features of the shear layers.With an increase inδ/D,the front stagnation point shifts to the upper surface,and the distance between the flow divergence point and the maximum pressure position increases.The mean drag coefficient and r.m.s.values of drag and lift coefficients decrease with a decrease in G/D and an increase inδ/D,while the mean lift coefficient increases with decreasing G/D but decreases with increasingδ/D.

Speeding-up direct implicit particle-in-cell simulations in bounded plasma by obtaining future electric field through explicitly propulsion of particles

The direct implicit particle-in-cell is a powerful kinetic method for researching plasma characteristics.However,it is time-consuming to obtain the future electromagnetic field in such a method since the field equations contain time-dependent matrix coefficients.In this work,we propose to explicitly push particles and obtain the future electromagnetic field based on the information about the particles in the future.The new method retains the form of implicit particle pusher,but the future field is obtained by solving the traditional explicit equation.Several numerical experiments,including the motion of charged particle in electromagnetic field,plasma sheath,and free diffusion of plasma into vacuum,are implemented to evaluate the performance of the method.The results demonstrate that the proposed method can suppress finite-grid-instability resulting from the coarse spatial resolution in electron Debye length through the strong damping of high-frequency plasma oscillation,while accurately describe low-frequency plasma phenomena,with the price of losing the numerical stability at large time-step.We believe that this work is helpful for people to research the bounded plasma by using particle-in-cell simulations.

Parallelization strategies for resolved simulations of fluid-structure-particle interactions

Fluid-structure-particle interactions in three spatial dimensions happen in many environmental and engineering flows.This paper presents the parallel algorithms for the hybrid diffuse and sharp interface immersed boundary(IB)method developed in our previous work.For the moving structure modeled using the sharp interface IB method,a recursive box method is developed for efficiently classifying the background grid nodes.For the particles modeled using the diffuse interface IB method,a‘master-slave’approach is adopted.For the particle-particle interaction(PPI)and particle-structure interaction(PSI),a fast algorithm for classifying the active and inactive Lagrangian points,which discretize the particle surface,is developed for the‘dry’contact approach.The results show that the proposed recursive box method can reduce the classifying time from 52seconds to 0.3 seconds.Acceptable parallel efficiency is obtained for cases with different particle concentrations.Furthermore,the lubrication model is utilized when a particle approaches a wall,enabling an accurate simulation of the rebounding phenomena in the benchmark particle-wall collision problem.At last,the capability of the proposed computational framework is demonstrated by simulating particle-laden turbulent channel flows with rough walls.

Differentially weighted direct simulation Monte Carlo method for particle collision in gas-solid flows

In gas-solid flows, particle-particle interaction （typical, particle collision） is highly significant, despite the small particles fractional volume. Widely distributed polydisperse particle population is a typical characteristic during dynamic evolution of particles （e.g., agglomeration and fragmentation） in spite of their initial monodisperse particle distribution. The conventional direct simulation Monte Carlo （DSMC） method for particle collision tracks equally weighted simulation particles, which results in high statistical noise for particle fields if there are insufficient simulation particles in less-populated regions. In this study, a new differentially weighted DSMC （DW-DSMC） method for collisions of particles with different number weight is proposed within the framework of the general Eulerian-Lagrangian models for hydrodynamics. Three schemes （mass, momentum and energy conservation） were developed to restore the numbers of simulation particle while keeping total mass, momentum or energy of the whole system unchanged respectively. A limiting case of high-inertia particle flow was numerically simulated to validate the DW-DSMC method in terms of computational precision and efficiency. The momentum conservation scheme which leads to little fluctuation around the mass and energy of the whole system performed best. Improved resolution in particle fields and dynamic behavior could be attained simultaneously using DW-DSMC, compared with the equally weighted DSMC. Meanwhile, computational cost can be largely reduced in contrast with direct numerical simulation.

DSMC: Fast direct simulation Monte Carlo solver for the Boltzmann equation by Multi-Chain Markov Chain and multicore programming

Direct Simulation Monte Carlo(DSMC)solves the Boltzmann equation with large Knudsen number.The Boltzmann equation generally consists of three terms:the force term,the diffusion term and the collision term.While the first two terms of the Boltzmann equation can be discretized by numerical methods such as the finite volume method,the third term can be approximated by DSMC,and DSMC simulates the physical behaviors of gas molecules.However,because of the low sampling efficiency of Monte Carlo Simulation in DSMC,this part usually occupies large portion of computational costs to solve the Boltzmann equation.In this paper,by Markov Chain Monte Carlo(MCMC)and multicore programming,we develop Direct Simulation Multi-Chain Markov Chain Monte Carlo(DSMC3):a fast solver to calculate the numerical solution for the Boltzmann equation.Computational results show that DSMC3 is significantly faster than the conventional method DSMC.

Convergence Detection in Direct Simulation Monte Carlo Calculations for Steady State Flows

A new criterion is presented to detect global convergence to steady state,and to identify local transient characteristics,during rarefied gas flow simulations performed using the direct simulation Monte Carlo(DSMC)method.Unlike deterministic computational fluid dynamics(CFD)schemes,DSMC is generally subject to large statistical scatter in instantaneous flow property evaluations,which prevents the use of residual tracking procedures as are often employed in CFD simulations.However,reliable prediction of the time to reach steady state is necessary for initialization of DSMC sampling operations.Techniques currently used in DSMC to identify steady state convergence are usually insensitive to weak transient behavior in small regions of relatively low density or recirculating flow.The proposed convergence criterion is developed with the goal of properly identifying such weak transient behavior,while adding negligible computational expense and allowing simple implementation in any existing DSMC code.Benefits of the proposed technique over existing convergence detection methods are demonstrated for representative nozzle/plume expansion flow,hypersonic blunt body flow and driven cavity flow problems.

Direct numerical simulation of compressible turbulent flows

This paper reviews the authors＇ recent studies on compressible turbulence by using direct numerical simulation （DNS）,including DNS of isotropic（decaying） turbulence, turbulent mixing-layer,turbulent boundary-layer and shock/boundary-layer interaction.Turbulence statistics, compressibility effects,turbulent kinetic energy budget and coherent structures are studied based on the DNS data.The mechanism of sound source in turbulent flows is also analyzed. It shows that DNS is a powerful tool for the mechanistic study of compressible turbulence.

Direct numerical simulation of viscoelastic-fluid-based nanofluid turbulent channel flow with heat transfer

Our previous experimental studies have confirmed that viscoelastic-fluid-based nanofluid(VFBN) prepared by suspending nanoparticles in a viscoelastic base fluid(VBF, behaves drag reduction at turbulent flow state) can reduce turbulent flow resistance as compared with water and enhance heat transfer as compared with VBF. Direct numerical simulation(DNS) is performed in this study to explore the mechanisms of heat transfer enhancement(HTE) and flow drag reduction(DR) for the VFBN turbulent flow. The Giesekus model is used as the constitutive equation for VFBN. Our previously proposed thermal dispersion model is adopted to take into account the thermal dispersion effects of nanoparticles in the VFBN turbulent flow. The DNS results show similar behaviors for flow resistance and heat transfer to those obtained in our previous experiments. Detailed analyses are conducted for the turbulent velocity, temperature, and conformation fields obtained by DNSs for different fluid cases, and for the friction factor with viscous, turbulent, and elastic contributions and heat transfer rate with conductive, turbulent and thermal dispersion contributions of nanoparticles, respectively. The mechanisms of HTE and DR of VFBN turbulent flows are then discussed. Based on analogy theory, the ratios of Chilton–Colburn factor to friction factor for different fluid flow cases are investigated, which from another aspect show the significant enhancement in heat transfer performance for some cases of water-based nanofluid and VFBN turbulent flows.

AN ANALYSIS OF SUBGRID-RESOLVED SCALE INTERACTIONS WITH USE OF RESULTS FROM DIRECT NUMERICAL SIMULATIONS

Subgrid nonlinear interaction and energy transfer are analyzed using direct numerical simulations of isotropic turbulence. Influences of cutoff wave number at different ranges of scale on the energetics and dynamics have been investigated. It is observed that subgrid-subgrid interaction dominates the turbulent dynamics when cut-off wave number locates in the energy-containing range while resolved-subgrid interaction dominates if it is in the dissipation range. By decomposing the subgrid energy transfer and nonlinear interaction into ‘forward’ and ‘backward’ groups according to the sign of triadic interaction, we find that individually each group has very large contribution, but the net of them is much smaller, implying that tremendous cancellation happens between these two groups.

Direct numerical simulation study of the interaction between the polymer effect and velocity gradient tensor in decaying homogeneous isotropic turbulence

Direct numerical simulation of decaying homogeneous isotropic turbulence （DHIT） of a polymer solution is performed. In order to understand the polymer effect on turbulence or additive-turbulence interaction, we directly investigate the influence of polymers on velocity gradient tensor including vorticity and strain. By visualizing vortex tubes and sheets, we observe a remarkable inhibition of vortex structures in an intermediate-scale field and a small-scale field but not for a large scale field in DHIT with polymers. The geometric study indicates a strong relevance among the vorticity vector, rate-of-strain tensor, and polymer conformation tensor. Joint probability density functions show that the polymer effect can increase ＂strain generation resistance＂ and ＂vorticity generation resistance＂, i.e., inhibit the generation of vortex sheets and tubes, ultimately leading to turbulence inhibition effects.

All-Atom Direct Folding Simulation for Proteins Using the Accelerated Molecular Dynamics in Implicit Solvent Model

We report the results of protein folding （219M, C34, N36, 2KES, 2KHK） by the method of accelerated molecular dynamics （aMD） at room temperature with the implicit solvent model. Starting from the linear structures, these proteins successfully fold to the native structure in a lO0-ns aMD simulation. In contrast, they are failed under the traditional MD simulation in the same simulation time. Then we find that the lowest root mean square deviations of helix structures from the native structures are 0.36 A, 0.63 A, 0.52 A, 1.1 A and 0.78 A. What is more, native contacts, cluster and free energy analyses show that the results of the aMD method are in accordance with the experiment very well. All analyses show that the aMD can accelerate the simulation process, thus we may apply it to the field of computer aided drug designs.

Direct numerical simulation of elastic turbulence and its mixing-enhancement effect in a straight channel flow

In this paper,we present a direct numerical simulation（DNS） of elastic turbulence of viscoelastic fluid at vanishingly low Reynolds number（Re = 1） in a three-dimensional straight channel flow for the first time,using the Giesekus constitutive model for the fluid.In order to generate and maintain the turbulent fluid motion in the straight channel,a sinusoidal force term is added to the momentum equation,and then the elastic turbulence is numerically realized with an initialized chaotic velocity field and a stretched conformation field.Statistical and structural characteristics of the elastic turbulence therein are analyzed based on the detailed information obtained from the DNS.The fluid mixing enhancement effect of elastic turbulence is also demonstrated for the potential applications of this phenomenon.

Direct numerical simulation of matrix diffusion across fracture/matrix interface

Accurate descriptions of matrix diffusion across the fracture/matrix interface are critical to assessing contaminant migration in fractured media. The classical transfer probability method is only applicable for relatively large diffusion coefficients and small fracture spacings, due to an intrinsic assumption of an equilibrium concentration profile in the matrix blocks. Motivated and required by practical applications, we propose a direct numerical simulation （DNS） approach without any empirical assumptions. A three-step Lagrangian algorithm was developed and validated to directly track the particle dynamics across the fracture/matrix interface, where particle＇s diffusive displacement across the discontinuity is controlled by an analytical, one-side reflection probability. Numerical experiments show that the DNS approach is especially efficient for small diffusion coefficients and large fracture spacings, alleviating limitations of the classical modeling approach.

RELIABILITY ASSESSMENT OF STRUCTURAL SYSTEMS BASED ON DIRECTIONAL VECTOR SIMULATION TECHNIQUE

The new improved directional vector simulation method foranalyzing the reliability of struc- tural systems failure probabilityis researched. This paper also points out the defects of generaldirectional vector simulation, and gives rise to a new higheraccuracy approximate integral formula of structural systems failureprobability. A new geometric meaning of characteristic function isobtained. A new simple method of generating uniformly distributedrandom vector sample sin n-dimensional unit hyper-spherical surfaceis put forward and strictly proved. This method is easy to put intopractice. Numerical examples are given to show the applicability andeffectiveness of the suggested approach to structural systemsreliability problems.

Characteristics and generation of elastic turbulence in a three-dimensional parallel plate channel using direct numerical simulation

Direct numerical simulations（DNSs） of purely elastic turbulence in rectilinear shear flows in a three-dimensional（3D） parallel plate channel were carried out,by which numerical databases were established.Based on the numerical databases,the present paper analyzed the structural and statistical characteristics of the elastic turbulence including flow patterns,the wall effect on the turbulent kinetic energy spectrum,and the local relationship between the flow motion and the microstructures＇ behavior.Moreover,to address the underlying physical mechanism of elastic turbulence,its generation was presented in terms of the global energy budget.The results showed that the flow structures in elastic turbulence were 3D with spatial scales on the order of the geometrical characteristic length,and vortex tubes were more likely to be embedded in the regions where the polymers were strongly stretched.In addition,the patterns of microstructures＇ elongation behave like a filament.From the results of the turbulent kinetic energy budget,it was found that the continuous energy releasing from the polymers into the main flow was the main source of the generation and maintenance of the elastic turbulent status.

Parameterization and Explicit Modeling of Cloud Microphysics:Approaches, Challenges, and Future Directions

Cloud microphysical processes occur at the smallest end of scales among cloud-related processes and thus must be parameterized not only in large-scale global circulation models(GCMs)but also in various higher-resolution limited-area models such as cloud-resolving models(CRMs)and large-eddy simulation(LES)models.Instead of giving a comprehensive review of existing microphysical parameterizations that have been developed over the years,this study concentrates purposely on several topics that we believe are understudied but hold great potential for further advancing bulk microphysics parameterizations:multi-moment bulk microphysics parameterizations and the role of the spectral shape of hydrometeor size distributions;discrete vs“continuous”representation of hydrometeor types;turbulence-microphysics interactions including turbulent entrainment-mixing processes and stochastic condensation;theoretical foundations for the mathematical expressions used to describe hydrometeor size distributions and hydrometeor morphology;and approaches for developing bulk microphysics parameterizations.Also presented are the spectral bin scheme and particle-based scheme(especially,super-droplet method)for representing explicit microphysics.Their advantages and disadvantages are elucidated for constructing cloud models with detailed microphysics that are essential to developing processes understanding and bulk microphysics parameterizations.Particle-resolved direct numerical simulation(DNS)models are described as an emerging technique to investigate turbulence-microphysics interactions at the most fundamental level by tracking individual particles and resolving the smallest turbulent eddies in turbulent clouds.Outstanding challenges and future research directions are explored as well.

A particle-resolved heat-particle-fluid coupling model by DEM-IMB-LBM

Multifield coupling is frequently encountered and also an active area of research in geotechnical engineering.In this work,a particle-resolved direct numerical simulation(PR-DNS)technique is extended to simulate particle-fluid interaction problems involving heat transfer at the grain level.In this extended technique,an immersed moving boundary(IMB)scheme is used to couple the discrete element method(DEM)and lattice Boltzmann method(LBM),while a recently proposed Dirichlet-type thermal boundary condition is also adapted to account for heat transfer between fluid phase and solid particles.The resulting DEM-IBM-LBM model is robust to simulate moving curved boundaries with constant temperature in thermal flows.To facilitate the understanding and implementation of this coupled model for non-isothermal problems,a complete list is given for the conversion of relevant physical variables to lattice units.Then,benchmark tests,including a single-particle sedimentation and a two-particle drafting-kissing-tumbling(DKT)simulation with heat transfer,are carried out to validate the accuracy of our coupled technique.To further investigate the role of heat transfer in particle-laden flows,two multiple-particle problems with heat transfer are performed.Numerical examples demonstrate that the proposed coupling model is a promising high-resolution approach for simulating the heat-particle-fluid coupling at the grain level.

Design of acceleration control schedule for adaptive cycle engine based on direct simulation model

To design the optimum acceleration control schedule for the Adaptive Cycle Engine(ACE)in the full flight envelope,this paper establishes a direct simulation model of the ACE transient state.In this model,geometric parameters are used to replace the component state parameters.The corresponding relationship between geometric parameters and component state parameters is determined by sensitivity analysis.The geometric variables are controlled when the geometric adjustment speed exceeds the limit,and at the same time the corresponding component state parameters are iterated.The gradient optimization algorism is used to optimize the ground acceleration process of ACE,and the control schedule in terms of operating point of compression components and corrected acceleration rate is used as the full-envelope acceleration control schedule based on the similarity principle.The acceleration control schedules of the triple-bypass mode and the double-bypass mode are designed in this paper.The acceleration processes under various flight conditions are simulated using the acceleration control schedules.Compared with the acceleration process with the linear geometric adjustment schedule,the acceleration performance of ACE is improved by the acceleration control schedule,with the impulse of the acceleration process of the triple-bypass mode being increased by 8.7%-12.3% and the impulse of the double-bypass mode acceleration process being increased by 11.8%-14.1%.

Spacecraft aerodynamics and trajectory simulation during aerobraking

This paper uses a direct simulation Monte Carlo （DSMC） approach to simulate rarefied aerodynamic characteristics during the aerobraking process of the NASA Mars Global Surveyor （MGS） spacecraft. The research focuses on the flowfield and aerodynamic characteristics distribution under various free stream densities. The vari- ation regularity of aerodynamic coefficients is analyzed. The paper also develops an aerodynamics-aeroheating-trajectory integrative simulation model to preliminarily calculate the aerobraking orbit transfer by combining the DSMC technique and the classical kinematics theory. The results show that the effect of the planetary atmospheric density, the spacecraft yaw, and the pitch attitudes on the spacecraft aerodynamics is significant. The numerical results are in good agreement with the existing results reported in the literature. The aerodynamics-aeroheating-trajectory integrative simulation model can simulate the orbit transfer in the complete aerobraking mission. The current results of the spacecraft trajectory show that the aerobraking maneuvers have good performance of attitude control.

Numerical Modeling of Mass Transfer in the Interaction between River Biofilm and a Turbulent Boundary Layer

In this article dedicated to the modeling of vertical mass transfers between the biofilm and the bulk flow, we have, in the first instance, presented the methodology used, followed by the presentation of various results obtained through analyses conducted on velocity fields, different fluxes, and overall transfer coefficients. Due to numerical constraints (resolution of relevant spatial scales), we have restricted the analysis to low Schmidt numbers (Sc=0.1, Sc=1, and Sc=10) and a single roughness Reynolds number (Re*=150). The analysis of instantaneous concentration fields from various simulations revealed logarithmic concentration profiles above the canopy. In this zone, the concentration is relatively homogeneous for longer times. The analysis of results also showed that the contribution of molecular diffusion to the total flux depends on the Schmidt number. This contribution is negligible for Schmidt numbers Sc≥0.1, but nearly balances the turbulent flux for Sc=0.1. In the canopy, the local Sherwood number, given by the ratio of the total flux (within or above the canopy) to the molecular diffusion flux at the wall, also depends on the Schmidt number and varies significantly between the canopy and the region above. The exchange velocity, a purely hydrodynamic parameter, is independent of the Schmidt number and is on the order of 10% of in the present case. This study also reveals that nutrient absorption by organisms near the wall depends on the Schmidt number. Such absorption is facilitated by lower Schmidt numbers.