Recovery of the solitons using a lattice Boltzmann model

We formulate a lattice Boltzmann model which simulates Korteweg-de Vries equation by using a method of higher moments of lattice Boltzmann equation. Using a series of lattice Boltzmann equations in different time scales and the conservation law in time scale to, we obtain equilibrium distribution function. The numerical examples show that the method can be used to simulate soliton.

Investigation of Vaporized Kerosene Injection and Combustion in a Supersonic Model Combustor

Injection and combustion of vaporized kerosene was experimentally investigated in a Mach 2.5 model combustor at various fuel temperatures and injection pressures. A unique kerosene heating and delivery system, which can prepare heated kerosene up to 820 K at a pressure of 5.5 MPa with negligible fuel coking, was developed. A three-species surrogate was employed to simulate the thermophysical properties of kerosene. The calculated thermophysical properties of surrogate provided insight into the fuel flow control in experiments. Kerosene jet structures at various preheat temperatures injecting into both quiescent environment and a Mach 2.5 crossflow were characterized. It was shown that the use ofvaporized kerosene injection holds the potential of enhancing fuel-air mixing and promoting overall burning. Supersonic combustion tests further confirmed the preceding conjecture by comparing the combustor performances of supercritical kerosene with those of liquid kerosene and effervescent atomization with hydrogen barbotage. Under the similar flow conditions and overall kerosene equivalence ratios, experimental results illustrated that the combustion efficiency of supercritical kerosene increased approximately 10-15% over that of liquid kerosene, which was comparable to that of effervescent atomization.

Size effects in the constrained deformation of metallic foams

The constrained deformation of an aluminium alloy foam sandwiched between steel substrates has been investigated. The sandwich plates are subjected to through-thickness shear and normal loading, and it is found that the face sheets constrain the foam against plastic deformation and result in a size effect: the yield strength increases with diminishing thickness of foam layer. The strain distribution across the foam core has been measured by a visual strain mapping technique, and a boundary layer of reduced straining was observed adjacent to the face sheets. The deformation response of the aluminium foam layer was modelled by the elastic-plastic finite element analysis of regular and irregular two dimensional honeycombs, bonded to rigid face sheets; in the simulations, the rotation of the boundary nodes of the cell-wall beam elements was set to zero to simulate full constraint from the rigid face sheets. It is found that the regular honeycomb under-estimates the size effect whereas the irregular honeycomb provides a faithful representation of both the observed size effect and the observed strain profile through the foam layer. Additionally, a compressible version of the Fleck-Hutchinson strain gradient theory was used to predict the size effect; by identifying the cell edge length as the relevant microstructural length scale the strain gradient model is able to reproduce the observed strain profiles across the layer and the thickness dependence of strength. © 2002 Elsevier Science Ltd. All rights reserved.

Measurement and simulation of surface roughness noise using phased microphone arrays

A turbulent boundary-layer flow over a rough wall generates a dipole sound field as the near-field hydrodynamic disturbances in the turbulent boundary-layer scatter into radiated sound at small surface irregularities. In this paper, phased microphone arrays are applied to the measurement and simulation of surface roughness noise. The radiated sound from two rough plates and one smooth plate in an open jet is measured at three streamwise locations, and the beamforming source maps demonstrate the dipole directivity. Higher source strengths can be observed on the rough plates which also enhance the trailing-edge noise. A prediction scheme in previous theoretical work is used to describe the strength of a distribution of incoherent dipoles and to simulate the sound detected by the microphone array. Source maps of measurement and simulation exhibit satisfactory similarities in both source pattern and source strength, which confirms the dipole nature and the predicted magnitude of roughness noise. However, the simulations underestimate the streamwise gradient of the source strengths and overestimate the source strengths at the highest frequency. © 2008 Elsevier Ltd. All rights reserved.

QM/MM and Classical Molecular Dynamics Simulation of Histidine-Tagged Peptide Immobilization on Nickel Surface

The hybrid quantum mechanics (QM) and molecular mechanics (MM) method is employed to simulate the His-tagged peptide adsorption to ionized region of nickel surface. Based on the previous experiments, the peptide interaction with one Ni ion is considered. In the QM/MM calculation, the imidazoles on the side chain of the peptide and the metal ion with several neighboring water molecules are treated as QM part calculated by “GAMESS”, and the rest atoms are treated as MM part calculated by “TINKER”. The integrated molecular orbital/molecular mechanics (IMOMM) method is used to deal with theQMpart with the transitional metal. By using the QM/MM method, we optimize the structure of the synthetic peptide chelating with a Ni ion. Different chelate structures are considered. The geometry parameters of the QM subsystem we obtained by QM/MM calculation are consistent with the available experimental results. We also perform a classical molecular dynamics (MD) simulation with the experimental parameters for the synthetic peptide adsorption on a neutral Ni(1 0 0) surface. We find that half of the His-tags are almost parallel with the substrate, which enhance the binding strength. Peeling of the peptide from the Ni substrate is simulated in the aqueous solvent and in vacuum, respectively. The critical peeling forces in the two environments are obtained. The results show that the imidazole rings are attached to the substrate more tightly than other bases in this peptide.

Variation of drag coefficient with wind wave development

Turbulent air flows over developing wind waves in the air-sea boundary layer are numerically simulated without considering wave breaking. Influences of wind waves on air flows are considered using a model of significant wave and surface roughness, with a formula proposed for calculating the surface roughness, k - epsilon model is adopted to simulate turbulent flows. The results of the drag coefficient and turbulence characteristics agree well with the observations.

A detailed chemistry multi-cycle simulation of a gasoline fueled HCCI engine operated with NVO

A previously developed Stochastic Reactor Model (SRM) is used to simulate combustion in a four cylinder in-line four-stroke naturally aspirated direct injection Spark Ignition (SI) engine modified to run in Homogeneous Charge Compression Ignition (HCCI) mode with a Negative Valve Overlap (NVO). A portion of the fuel is injected during NVO to increase the cylinder temperature and enable HCCI combustion at a compression ratio of 12:1. The model is coupled with GT-Power, a one-dimensional engine simulation tool used for the open valve portion of the engine cycle. The SRM is used to model in-cylinder mixing, heat transfer and chemistry during the NVO and main combustion. Direct injection is simulated during NVO in order to predict heat release and internal Exhaust Gas Recycle (EGR) composition and mass. The NOx emissions and simulated pressure profiles match experimental data well, including the cyclic fluctuations. The model predicts combustion characteristics at different fuel split ratios and injection timings. The effect of fuel reforming on ignition timing is investigated along with the causes of cycle to cycle variations and unstable operation. A detailed flux analysis during NVO unearths interesting results regarding the effect of NOx on ignition timing compared with its effect during the main combustion. © 2009 SAE International.

Numerical Simulation of Pulsed Liquid Fluidized Bed and Its Experimental Validation

The pulsed liquid fluidized bed was studied using numerical simulation and experimental methods, The area-averaged two-fluid model (TFM) was used to simulate the pulsed fluidization. The bed expansion and collapse processes were simulated first and the phenomena obtained from the calculation were consistent with our previous experiments and observations. In the pulsed fluidization, the variation of bed height, the variations of particle velocity and concentration distribution were obtained and analyzed. Experiments were carried out to validate the simulation results. The pressure variation with time at different locations was measured using pressure transducers and compared with the simulated results. The variations of bed height and particle concentration distribution were recorded using a digital video camera recorder. The results were consistent with the simulation results as a whole.

Molecular Dynamics Simulation of Barnacle Cement

Barnacle cement is an underwater adhesive that is used for permanent settlement. Its main components are insoluble protein complexes that have not been fully studied. In present article, we chose two proteins of barnacle cement for study, 36-KD protein and Mrcp-100K protein. In order to investigate the characteristic of above two proteins, we introduced the method of molecular modeling. And the simulation package GROMACS was used to simulate the behavior of these proteins. In this article, before the simulations, we introduce some theories to predict the time scale for polymer relaxation. During the simulation, we mainly focus on two properties of these two proteins: structural stability and adhesive force to substrate. First, we simulate the structural stability of two proteins in water, and then the stability of 36-KD protein in seawater environment is investigated.We find that the stability varies in the different environments. Next, to study adhesive ability of two proteins, we simulate the process of peeling the two proteins from the substrate (graphite). Then, we analyze the main reasons of these results. We find that hydrogen bonds in proteins play an important role in the protein stability. In the process of the peeling, we use Lennard–Jones 12-6 potential to calculate the van der Waals interactions between proteins and substrate.

Application of Three-Dimensional Discrete Element Face-to-Face Contact Model with Fissure Water Pressure to Stability Analysis of Landslide in Panluo Iron Mine

Three-dimensional discrete element face-to-face contact model with fissure water pressure is established in this paper and the model is used to simulate three-stage process of landslide under fissure water pressure in the opencast mine, according to the actual state of landslide in Panluo iron mine where landslide happened in 1990 and was fathered in 1999. The calculation results show that fissure water pressure on the sliding surface is the main reason causing landslide and the local soft interlayer weakens the stability of slope. If the discrete element method adopts the same assumption as the limit equilibrium method, the results of two methods are in good agreement; while if the assumption is not adopted in the discrete element method, the critical phi numerically calculated is less than the one calculated by use of the limit equilibrium method for the same C. Thus, from an engineering point of view, the result from the discrete element model simulation is safer and has more widely application since the discrete element model takes into account the effect of rock mass structures.

Adaptive Mesh Refinement FEM for Damage Evolution of Heterogeneous Brittle Media

Damage evolution of heterogeneous brittle media involves a wide range of length scales. The coupling between these length scales underlies the mechanism of damage evolution and rupture. However, few of previous numerical algorithms consider the effects of the trans-scale coupling effectively. In this paper, an adaptive mesh refinement FEM algorithm is developed to simulate this trans-scale coupling. The adaptive serendipity element is implemented in this algorithm, and several special discontinuous base functions are created to avoid the incompatible displacement between the elements. Both the benchmark and a typical numerical example under quasi-static loading are given to justify the effectiveness of this model. The numerical results reproduce a series of characteristics of damage and rupture in heterogeneous brittle media.

Deformation and Failure of Polymer Bonded Explosives under Diametric Compression Test

The tensile deformation and failure of polymer bonded explosives (PBXs), a particulate composite, is studied in this paper. Two HMX-based PBXs with different binder were selected for study. A diametric compression test, in which a disc-shaped specimen is loaded diametrically, was chosen to generate tensile failure in the materials. The quasi-static tensile properties and the tensile creep properties were studied by using conventional displacement transducers to measure the lateral strain along the horizontal diameter. The whole-field in-plane creep deformation was measured by using the technique of high resolution moire´ interferometry. Real time microscopic examination was conducted to monitor the process of deformation and failure of PBXs by using a scanning electron microscope equipped with a loading stage. A manifold method (MM) was used to simulate the deformation and failure of PBX samples under the diametric compression test, including the crack initiation, crack propagation and final cleavage fracture. The mechanisms of deformation and failure of PBXs under diametric compression were analyzed. The diametric compression test and the techniques developed in this research have proven to be applicable to the study of tensile properties of PBXs.

Simulation of Coal Combustion by AUSM Turbulence-Chemistry Char Combustion Model and a Full Two-Fluid Model

An algebraic unified second-order moment (AUSM) turbulence-chemistry model of char combustion is introduced in this paper, to calculate the effect of particle temperature fluctuation on char combustion. The AUSM model is used to simulate gas-particle flows, in coal combustion in a pulverized coal combustor, together with a full two-fluid model for reacting gas-particle flows and coal combustion, including the sub-models as the k-epsilon-k(p) two-phase turbulence niodel, the EBU-Arrhenius volatile and CO combustion model, and the six-flux radiation model. A new method for calculating particle mass flow rate is also used in this model to correct particle outflow rate and mass flow rate for inside sections, which can obey the principle of mass conservation for the particle phase and can also speed up the iterating convergence of the computation procedure effectively. The simulation results indicate that, the AUSM char combustion model is more preferable to the old char combustion model, since the later totally eliminate the influence of particle temperature fluctuation on char combustion rate.

Modelling soot formation in a DISI engine

In this work, the formation of soot in a Direct Injection Spark Ignition (DISI) engine is simulated using the Stochastic Reactor Model (SRM) engine code. Volume change, convective heat transfer, turbulent mixing, direct injection and flame propagation are accounted for. In order to simulate flame propagation, the cylinder is divided into an unburned, entrained and burned zone, with the rate of entrainment being governed by empirical equations but combustion modelled with chemical kinetics. The model contains a detailed chemical mechanism as well as a highly detailed soot formation model, however computation times are relatively short. The soot model provides information on the morphology and chemical composition of soot aggregates along with bulk quantities, including soot mass, number density, volume fraction and surface area. The model is first calibrated by simulating experimental data from a Gasoline Direct Injection (GDI) Spark Ignition (SI) engine. The model is then used to simulate experimental data from the literature, where the numbers, sizes and derived mass particulate emissions from a 1.83 L, 4-cylinder, 4 valve production DISI engine were examined. Experimental results from different injection and spark timings are compared with the model and the qualitative trends in aggregate size distribution and emissions match the exhaust gas measurements well. © 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

Behaviour analysis of numerical solutions and simulation of coherent structures in compressible mixing layers

For understanding the correctness of simulations the behaviour of numerical solutions is analysed, Tn order to improve the accuracy of solutions three methods are presented. The method with GVC (group velocity control) is used to simulate coherent structures in compressible mixing layers. The effect of initial conditions for the mixing layer with convective Mach number 0.8 on coherent structures is discussed. For the given initial conditions two types of coherent structures in the mixing layer are obtained.