Lattice Boltzmann model for interface capturing of multiphase flows based on Allen–Cahn equation

A phase-field-based lattice Boltzmann model is proposed for the interface capturing of multi-phase flows based on the conservative Allen–Cahn equation(ACE).By adopting the improved form of a relaxation matrix and an equilibrium distribution function,the time derivative?t(φ)induced by recovering the diffusion term in ACE is eliminated.The conducted Chapman–Enskog analysis demonstrates that the correct conservative ACE is recovered.Four benchmark cases including Zalesak’s disk rotation,vortex droplet,droplet impact on thin film,and Rayleigh–Taylor instability are investigated to validate the proposed model.The numerical results indicate that the proposed model can accurately describe the complex interface deformation.     

An asymptotic-preserving method for highly anisotropic elliptic equations based on a Micro–Macro decomposition

The concern of the present work is the introduction of a very efficient asymptotic preserving scheme for the resolution of highly anisotropic diffusion equations. The characteristic features of this scheme are the uniform convergence with respect to the anisotropy parameter 0 < ε ? 1, the applicability (on cartesian grids) to cases of non-uniform and non-aligned anisotropy fields b and the simple extension to the case of a non-constant anisotropy intensity 1/ε. The mathematical approach and the numerical scheme are different from those presented in the previous work [P. Degond, F. Deluzet, A. Lozinski, J. Narski, C. Negulescu, Duality-based asymptotic-preserving method for highly anisotropic diffusion equations, Communications in Mathematical Sciences 10 (1) (2012) 1–31] and its considerable advantages are pointed out.     

Development and validation of an n-dodecane skeletal mechanism for spray combustion applications

n-Dodecane is a promising surrogate fuel for diesel engine study because its physicochemical properties are similar to those of the practical diesel fuels. In the present study, a skeletal mechanism for n-dodecane with 105 species and 420 reactions was developed for spray combustion simulations. The reduction starts from the most recent detailed mechanism for n-alkanes consisting of 2755 species and 11,173 reactions developed by the Lawrence Livermore National Laboratory. An algorithm combining direct relation graph with expert knowledge (DRGX) and sensitivity analysis was employed for the present skeletal reduction. The skeletal mechanism was first extensively validated in 0-D and 1-D combustion systems, including auto-ignition, jet stirred reactor (JSR), laminar premixed flame and counter flow diffusion flame. Then it was coupled with well-established spray models and further validated in 3-D turbulent spray combustion simulations under engine-like conditions. These simulations were compared with the recent experiments with n-dodecane as a surrogate for diesel fuels. It can be seen that combustion characteristics such as ignition delay and flame lift-off length were well captured by the skeletal mechanism, particularly under conditions with high ambient temperatures. Simulations also captured the transient flame development phenomenon fairly well. The results further show that ignition delay may not be the only factor controlling the stabilisation of the present flames since a good match in ignition delay does not necessarily result in improved flame lift-off length prediction.     

Calibration of a γ-Re_θ transition model and its application in low-speed flows

The prediction of laminar-turbulent transition in boundary layer is very important for obtaining accurate aerodynamic characteristics with computational fluid dynamic(CFD)tools,because laminar-turbulent transition is directly related to complex flow phenomena in boundary layer and separated flow in space.Unfortunately,the transition effect isn’t included in today’s major CFD tools because of non-local calculations in transition modeling.In this paper,Menter’sγ-Re_θtransition model is calibrated and incorporated into a Reynolds-Averaged Navier-Stokes(RANS)code-Trisonic Platform(TRIP)developed in China Aerodynamic Research and Development Center(CARDC).Based on the experimental data of flat plate from the literature,the empirical correlations involved in the transition model are modified and calibrated numerically.Numerical simulation for low-speed flow of Trapezoidal Wing(Trap Wing)is performed and compared with the corresponding experimental data.It is indicated that theγ-Re_θtransition model can accurately predict the location of separation-induced transition and natural transition in the flow region with moderate pressure gradient.The transition model effectively imporves the simulation accuracy of the boundary layer and aerodynamic characteristics.     

Equation of state for the Lennard-Jones truncated and shifted fluid with a cut-off radius of 2.5 σ based on perturbation theory and its applications to interfacial thermodynamics

ABSTRACT

An equation of state is presented for describing thermodynamic properties of the Lennard-Jones truncated and shifted (LJTS) potential with a cut-off radius of 2.5 σ. It is developed using perturbation theory with a hard-sphere reference term and labelled with the acronym PeTS (perturbed truncated and shifted). The PeTS equation of state describes the properties of the bulk liquid and vapour and the corresponding equilibrium of the LJTS fluid well. Furthermore, it is developed so that it can be used safely in the entire metastable and unstable region, which is an advantage compared to existing LJTS equations of state. This makes the PeTS equation of state an interesting candidate for studies of interfacial properties. The PeTS equation of state is applied here in two theories of interfaces, namely density gradient theory (DGT) and density functional theory (DFT). The influence parameter of DGT as well as the interaction averaging diameter of DFT are fitted to data of the surface tension of the LJTS fluid obtained from molecular simulation. The results from both theories agree very well with those from the molecular simulations.     

Application of the conditional source-term estimation model for turbulence–chemistry interactions in a premixed flame

Conditional Source-term Estimation (CSE) is a closure model for turbulence–chemistry interactions. This model uses the first-order CMC hypothesis to close the chemical reaction source terms. The conditional scalar field is estimated by solving an integral equation using inverse methods. It was originally developed and has been used extensively in non-premixed combustion. This work is the first application of this combustion model for a premixed flame. CSE is coupled with a Trajectory Generated Low-Dimensional Manifold (TGLDM) model for chemistry. The CSE-TGLDM combustion model is used in a RANS code to simulate a turbulent premixed Bunsen burner. Along with this combustion model, a similar model which relies on the flamelet assumption is also used for comparison. The results of these two approaches in the prediction of the velocity field, temperature and species mass fractions are compared together. Although the flamelet model is less computationally expensive, the CSE combustion model is more general and does not have the limiting assumption underlying the flamelet model.     

Development of proton conducting biopolymer membrane based on agar–agar for fuel cell

A proton-conducting polymer electrolyte based on agar and ammonium nitrate (NH₄NO₃) has been prepared through solution casting technique. The prepared polymer electrolytes were characterized by impedance spectroscopy, X-ray diffraction, and Fourier transform infra-red spectroscopy. Impedance analysis shows that sample with 60 wt.% NH₄NO₃ has the highest ionic conductivity of 6.57 × 10⁻⁴ S cm⁻¹ at room temperature. As a function of temperature, the ionic conductivity exhibits an Arrhenius behaviour increasing from 6.57 × 10⁻⁴ S cm⁻¹ at room temperature to 1.09 × 10⁻³ S cm⁻¹ at 70 °C. Transport parameters of the samples were calculated using Wagner’s polarization method and thus shows that the increase in conductivity is due to the increase in the number of mobile ions. Fuel cell has been constructed with the highest proton conductivity polymer 40agar/60NH₄NO₃ and the open circuit voltage is found to be 558 mV.

     

Fluctuation scaling and covariance matrix of constituents’ flows on a bipartite graph

We investigate an association between a power-law relationship of constituents’ flows (mean versus standard deviation) and their covariance matrix on a directed bipartite network. We propose a Poisson mixture model and a method to infer states of the constituents’ flows on such a bipartite network from empirical observation without a priori knowledge on the network structure. By using a proposed parameter estimation method with high frequency financial data we found that the scaling exponent and simultaneous cross-correlation matrix have a positive correspondence relationship. Consequently we conclude that the scaling exponent tends to be 1/2 in the case of desynchronous (specific dynamics is dominant), and to be 1 in the case of synchronous (common dynamics is dominant).     

A polynomial hybrid reflection model and measurement of its parameters based on images of sample

Reflectance model is a basic concept in computer vision.Some existing models combining the classical diffuse reflectance model and those for surfaces containing specular components can approximately describe real reflectance.But the ratio of diffuse and specular reflection decided manually has no clear meaning. We propose a new polynomial hybrid reflectance model.The reflectance map equation with a known shape (for example cylinder)as a sample is used to estimate parameters of the proposed reflectance model by least square regression algorithm.Then the reflectance parameters for surfaces of the same class of materials can be determined.Experiments are performed for a metal surface.The synthesis images produced by the proposed method and existing ones are compared with the real acquired image,and the results show that the proposed reflectance model is suitable for describing real reflectance.     

Influence of moderate-to-strong anisotropic non-Kolmogorov turbulence on intensity fluctuations of a Gaussian–Schell model beam in marine atmosphere

The scintillation index(SI) of a Gaussian–Schell model(GSM) beam in a moderate-to-strong anisotropic nonKolmogorov turbulent atmosphere is developed based on the extended Rytov theory. The on-axis SI in a marine atmosphere is higher than that in a terrestrial atmosphere, but the off-axis SI exhibits the opposite trend. The on-axis SI first increases and then begins to decrease and saturate as the turbulence strength increases. Turbulence inner and outer scales have different effects on the on-axis SI in different turbulent fluctuation regions. The anisotropy characteristic of atmospheric turbulence leads to the decline in the on-axis SI, and the rise in the off-axis SI. The on-axis SI can be lowered by increasing the anisotropy of turbulence, wavelength, and source partial coherence before entering the saturation attenuation region. The developed model may be useful for evaluating ship-to-ship/shore free-space optical communication system performance.     

Synthesis of hybrid organic–inorganic nanocomposite materials based on CdS nanocrystals for energy conversion applications

Efficient solar energy conversion is strongly related to the development of new materials with enhanced functional properties. In this context, a wide variety of inorganic, organic, or hybrid nanostructured materials have been investigated. In particular, in hybrid organic–inorganic nanocomposites are combined the convenient properties of organic polymers, such as easy manipulation and mechanical flexibility, and the unique size-dependent properties of nanocrystals (NCs). However, applications of hybrid nanocomposites in photovoltaic devices require a homogeneous and highly dense dispersion of NCs in polymer in order to guarantee not only an efficient charge separation, but also an efficient transport of the carriers to the electrodes without recombination. In previous works, we demonstrated that cadmium thiolate complexes are suitable precursors for the in situ synthesis of nanocrystalline CdS. Here, we show that the soluble [Cd(SBz)₂]₂·(1-methyl imidazole) complex can be efficiently annealed in a conjugated polymer obtaining a nanocomposite with a regular and compact network of NCs. The proposed synthetic strategies require annealing temperatures well below 200 °C and short time for the thermal treatment, i.e., less than 30 min. We also show that the same complex can be used to synthesize CdS NCs in mesoporous TiO₂. The adsorption of cadmium thiolate molecule in TiO₂ matrix can be obtained by using chemical bath deposition technique and subsequent thermal annealing. The use of NCs, quantum dots, as sensitizers of TiO₂ matrices represents a very promising alternative to common dye-sensitized solar cells and an interesting solution for heterogeneous photocatalysis.     

Development of a numerical model for the electric current in burner-stabilised methane–air flames

This study presents a new model to simulate the electric behaviour of one-dimensional ionised flames and to predict the electric currents in these flames. The model utilises Poisson’s equation to compute the electric potential. A multi-component diffusion model, including the influence of an electric field, is used to model the diffusion of neutral and charged species. The model is incorporated into the existing CHEM1D flame simulation software. A comparison between the computed electric currents and experimental values from the literature shows good qualitative agreement for the voltage–current characteristic. Physical phenomena, such as saturation and the diodic effect, are captured by the model. The dependence of the saturation current on the equivalence ratio is also captured well for equivalence ratios between 0.6 and 1.2. Simulations show a clear relation between the saturation current and the total number of charged particles created. The model shows that the potential at which the electric field saturates is strongly dependent on the recombination rate and the diffusivity of the charged particles. The onset of saturation occurs because most created charged particles are withdrawn from the flame and because the electric field effects start dominating over mass based diffusion. It is shown that this knowledge can be used to optimise ionisation chemistry mechanisms. It is shown numerically that the so-called diodic effect is caused primarily by the distance the heavier cations have to travel to the cathode.     

Development of the device prototype based on the semiconductor–carbon nanotubes structure for optical radiation detection and study of its parameters

A light-receiving device prototype based on the semiconductor–carbon nanotubes (CNTs) structure consisting of 16 cellular structured sensitive elements grown on the same substrate is developed. The topology of sensitive cells represents holes through metallization and insulator layers to the semiconductor from which the CNT array grows to the top metallization layer. The device prototype parameters are determined as follows: the effective wavelength range is within 400–1100 nm, the operational speed is no longer than 30 μs, the coefficients of peak sensitivity reached at wavelengths of 640 and 950 nm are 197 and 193 μA/W, respectively.     

Development of a Lyman-α laser system for spectroscopy and laser cooling of antihydrogen

Hydrogen Lyman-α radiation (121.56 nm) is important because it allows for the excitation and detection of ground-state hydrogen atoms by a one-photon process. The trapping of antihydrogen, recently reported by the ALPHA collaboration at CERN, has revived interest in Lyman-α lasers. In order to perform high precision tests of matter-antimatter symmetry violations or gravity-antimatter interactions with antihydrogen, laser cooling using the 1s ? 2p single photon transition is essential. Recent theoretical simulations predict that even with a pulsed Lyman-α source, laser cooling of antihydrogen would be possible. Here we describe the implementation of a high power vacuum-ultraviolet (VUV) laser at the Lyman-α transition of hydrogen. The VUV light was generated using a two-photon-resonant four-wave mixing process in a phase-matched mixture of krypton and argon. Two wavelengths (ω _R → 202.31 and ω _T → 602.56 nm) were mixed in a sum-difference scheme (ω _VUV = 2ω _R ? ω _T ) with a two-photon resonance at (4s ²4p ⁵5p[1/2]₀ ← 4s ²4p ⁶(1S ₀)) transition in Kr. With an Ar/Kr mixture of 3.9:1 we obtained 10 ns pulses of 0.1 μJ of energy at a repetition rate of 10 Hz.     

Joint precoding and equalization design for reduced-CP OTFS based on the compact input–output model

This work studies the system design for the reduced cycle-prefix (CP) orthogonal time frequency space (OTFS) modulation in which only one CP is inserted in each frame. First, a compact input–output model is established which does not need to assume that the delay and Doppler shifts are on the delay-Doppler sampling grids. Second, based on the proposed compact model, a joint precoding and equalization method is proposed for the reduced-CP OTFS modulation, which can decomposes the whole reduced-CP OTFS communication system into parallel multiple-input multiple-output (MIMO) subsystems. Hence, the computational complexity can be greatly reduced. Simulation results of the bit error rate (BER) performance of the proposed method are reported and compared with the standard method under different system parameters.     

Approximation of the hydrostatic Navier–Stokes system for density stratified flows by a multilayer model: Kinetic interpretation and numerical solution

We present a multilayer Saint-Venant system for the numerical simulation of free surface density-stratified flows over variable topography. The proposed model formally approximates the hydrostatic Navier–Stokes equations with a density that varies depending on the spatial and temporal distribution of a transported quantity such as temperature or salinity. The derivation of the multilayer model is obtained by a Galerkin-type vertical discretization of the Navier–Stokes system with piecewise constant basis functions. In contrast with classical multilayer models in the literature that assume immiscible fluids, we allow here for mass exchange between layers. We show that the multilayer system admits a kinetic interpretation, and we use this result to formulate a robust finite volume scheme for its numerical approximation. Several numerical experiments are presented, including simulations of wind-driven stratified flows.     

The existence and stability of “orbitally uniform” rotations of a vibrating dumbbell on an elliptic orbit

The problem of planar motions of a variable-length dumbbell-shaped body in the central field of the Newton attraction is considered. The rules of varying the dumbbell length, at which the dumbbell with respect to the true anomaly can rotate uniformly around the center of mass, are indicated for the equation of motion of the dumbbell written in a satellite approximation [1–8]. When fulfilling these rules, the necessary stability conditions of mentioned motions are investigated.     

Effects of correlations between the real and imaginary parts of quantum noise on intensity fluctuation for a saturation laser model

This paper studies the effects of cross-correlations between the real and imaginary parts of quantum noise on the laser intensity in a saturation laser model. It derives the analytic expressions of the intensity correlation function C（τ） and the associated relaxation time T（C） in the case of a stable locked phase resulting from the cross-correlation λq between the real and imaginary parts of quantum noise. Based on numerical computations it finds that the presence of cross correlations between the real and imaginary parts of quantum noise slow down the decay of intensity fluctuation, i.e., it causes the increase of intensity fluctuation.     

The radiative decay ϕ → γππ in a coupled-channel model and the structure of f0(980)

A coupled-channel model is used to study the nature of the scalar mesons produced in the decay ϕ → γππ. The K molecular picture of f₀(980) is found to be in a good agreement with the recent experimental data from SND and CMD-2. The structure of the light scalar mesons is elucidated by investigating the S-matrix poles and the q spectral density.     

Effects of a k⃗-dependent Hybridisation on the Fermi surface of an extended d–p Hubbard model

ABSTRACT

The topology of the Fermi surface of an extended d–p Hubbard model is investigated using Green's function technique in a n-pole approximation. The effects of the d–p hybridisation on the Fermi surface are the main focus in the present work. Nevertheless, the effects of doping, Coulomb interaction and hopping to second-nearest-neighbours on the Fermi surface, are also studied. Particularly, it is shown that the crossover from hole-like to electron-like Fermi surface (Lifshitz transition) is deeply affected by the d–p hybridisation. Moreover, the pseudogap present in the low doping regime is also affected by the hybridisation. The results show that both the doping and the hybridisation act in the sense of suppresses the pseudogap. Therefore, the systematic investigation of the Fermi surface topology, shows that not only the doping but also the hybridisation can be considered as a control parameter for both the pseudogap and the Lifshitz transition. Assuming that the hybridisation is sensitive to external pressure, the present results agree qualitatively with recent experimental data for the cuprate Nd-LSCO.