Direct numerical simulation of turbulence-radiation interactions in a statistically one-dimensional nonpremixed system

An important issue in chemically reacting turbulent flows is the interaction between turbulence and radiation (TRI), which arises from highly nonlinear coupling between fluctuations in temperature and species composition of the flow field with the fluctuations of radiative intensity. Here direct numerical simulation (DNS) has been employed to investigate TRI in canonical nonpremixed systems in three-dimensional geometries. A photon Monte Carlo method has been used to solve the radiative transfer equation (RTE), which has been coupled with the flow solver. Radiation properties employed here correspond to a nonscattering fictitious gray gas with a Planck-mean absorption coefficient, which mimics that of typical hydrocarbon-air combustion products. Individual contributions of emission and absorption TRI have been isolated and quantified. The temperature self-correlation, the absorption coefficient-Planck function correlation, and the absorption coefficient-intensity correlation have been examined for intermediate-to-large values of the optical thickness, and contributions from all three correlations were found significant but the relative importance of their contribution varies with optical thickness.     

Conditional statistics of nonreacting and reacting sprays in turbulent flows by direct numerical simulation

Conditional statistics concerning evaporation and combustion of a spray are investigated in homogeneous, isotropic, and decaying two-dimensional (2D) turbulence. Randomly distributed, polydisperse droplets of n-heptane go through single-step combustion chemistry. Attention is focused on parametric effects of initial Sauter mean radius (SMR), turbulence level and droplet velocity in both reacting and nonreacting cases. A simple linear model for the conditional evaporation rate is proposed and validated against DNS data. A conventional β-probability density function (pdf) is shown to be valid with no peak occurring on the fuel side. The amplitude mapping closure (AMC) model works well for the conditional scalar dissipation rate with evaporating and reacting sprays. Parametric study shows that initial SMR and droplet velocity are major factors affecting conditional flame structures, whereas the effect of reaction is not significant except during autoignition.     

Direct numerical simulation of passive scalar in decaying compressible turbulence

1IntroductionDirectnumericalsimulation(DNS)becomesanimportanttoolinrecentresearchofturbulence[1].DNSofcompressibleturbulenceismoredifficultthanthatoftheincompressibleturbulence.WhentheturbulentMachnumberisgreaterthan0.3theshockletsmayappearinthecompressibleturbulentflowfields.Thereasonandmechanismofshockletsexistencearenotclearyet.TheturbulentMachnumberinDNScannotbeveryhighwiththepresentexistingnumericalmethodsandcomputerresource.Fortheproblemofcompressibleisotropicturbulencewiththeinitia…     

热辐射输运问题的高效蒙特卡罗模拟方法

惯性约束聚变研究中,热辐射光子在介质中的输运以及热辐射光子与介质的相互作用是重要研究课题,蒙特卡罗方法是该类问题的重要研究手段之一.隐式蒙特卡罗方法虽然能正确地模拟热辐射在介质中的输运过程,但当模拟重介质(材料的吸收系数大)问题时,该方法花费的计算时间将变得很长,导致模拟效率很低.本文以离散扩散蒙特卡罗方法为基础,开发了"离散扩散蒙特卡罗方法辐射输运模拟程序",可以较好地解决重介质区的计算效率问题,但是离散扩散蒙卡罗方法在模拟轻介质区时精度不够高.辐射输运问题中通常既有轻介质也有重介质,为了能同时解决蒙特卡罗方法模拟的效率和精度问题,本文研究了离散扩散蒙特卡罗方法与隐式蒙特卡罗方法相结合的模拟方法,并提出了新的扩散区与输运区界面处理方法,研制了混合蒙特卡罗方法的辐射输运模拟程序.典型辐射输运问题模拟显示:在模拟重介质问题时,该程序能大幅缩短模拟时间,且能取得与隐式蒙特卡罗方法一致的结果;在模拟轻重介质均存在的问题时,与隐式蒙特卡罗方法相比,混合蒙特卡罗方法的模拟精度与其相当且计算效率同样能够得到显著提升.     

球形黑腔辐射输运问题的蒙特卡罗模拟

利用蒙特卡罗方法模拟六孔球形黑腔中的辐射输运, 研究靶球辐照均匀性问题. 对于几何结构简单的解析模型, 研究了不同黑腔靶球半径比的靶球辐照均匀性变化规律, 得出的结论与解析的“视因子”方法给出的一致. 对于几何结构复杂的黑腔模型, 如放置有挡板的模型, 解析方法计算困难, 但利用蒙特卡罗方法仍然能够准确模拟计算. 不同挡板大小的理论模型计算结果表明, 挡板对X光输运到靶球表面的分布状况有明显的影响, 如果设置得当则可以提高X光利用效率并显著改善靶球辐照均匀性, 否则可能严重破坏靶球辐照均匀性. 因此, 黑腔中的挡板位置及大小需要精心设计. 应用表明, 蒙特卡罗方法对于具有复杂结构的黑腔辐射输运问题具有很好的适应性.     

中国锦屏地下实验室缪子辐射环境蒙特卡罗方法模拟

用蒙特卡罗方法对中国锦屏地下实验室（CJPL）的缪子辐射本底进行了模拟。在对宇宙线缪子进行模拟时,依据海平面缪子流强Gaisser公式建立模型,并利用MUSIC程序,模拟了CJPL实验室的剩余缪子归一化能谱,进一步利用FLUKA程序模拟得到了缪致光子、中子的产额和平均能量。结果表明：剩余缪子的平均能量369 GeV,通量3.1710-6 m-2s-1,次级光子总的注量率约1.5710-4 m-2s-1,次级中子总的注量率约8.3710-7 m-2s-1。通过与世界上其他地下实验室本底水平的对比,表明CJPL的缪子辐射环境低于世界上大多数地下实验室。     

低能中子在锆中产生的辐照损伤的计算机模拟研究

以GEANT4为基础采用蒙特卡罗方法对能量为1 MeV的中子在锆 材料中的输运过程进行了模拟分析. 首先计算得出: 反冲核的能量主要分布在1 keV和15 keV之间, 中子和靶核发生两次弹性碰撞的平均空间距离为29.47 mm. 由于中子和靶核在发生连续两次弹性碰撞过程中产生的两个反冲核能量较低, 它们的空间距离又比较大, 由此可以推测出: 由初级离位原子产生的后续级联碰撞可以看做是一系列独立的子级联碰撞过程, 同时也计算了中子在靶材的不同深度区域内产生的反冲核数目和平均能量. 其次, 利用蒙卡方法计算得到的结果, 采用分子动力学方法, 分别计算了五种不同能量下的初级离位原子产生的级联碰撞情况, 给出了初级离位原子的能量与其产生的次级离位原子数目之间的关系以 及不同能量下的初级离位原子产生的损伤区域范围等情况, 通过蒙特卡罗方法和分子动力学方法的结合, 给出了能量为1 MeV的中子在锆材料中产生的初级辐照损伤分布图像. 关键词： 辐照损伤 级联碰撞 蒙特卡洛模拟 分子动力学     

非均一相互作用能对超薄膜生长影响的Monte Carlo模拟研究

利用Monte Carlo (MC)模拟技术研究了非均一的吸附原子与基底相互作用能在一定的生长条件下对超薄膜生长过程的影响.非均一相互作用能是由基底表面原子在垂直和水平方向上实际位置与理想晶格原子位置的偏差所造成.本文用高斯分布来表示这种非均一相互作用能.模拟结果表明:非均一相互作用能对超薄膜的生长过程及薄膜的形貌有显著的影响.这种影响同时受到生长条件的限制,在中等温度时相互作用能的非均一性对岛的个数、平均大小的影响最显著;温度的增加在一定程度上可抵御相互作用能的非均一性对薄膜生长的影响. 关键词： 薄膜生长 Monte Carlo 模拟 相互作用能     

Head-on quenching of laminar premixed methane flames diluted with hot combustion products

Transient head-on quenching of laminar premixed methane flames diluted with hot combustion products is analyzed using full-chemistry 1D DNS. The impact of the dilution level, pressure and wall temperature on carbon monoxide (CO) emissions is investigated. Increasing dilution level and pressure reduce peak average near-wall CO concentrations, and reduce the near-wall CO reduction rate. However, the peak average near-wall CO and near-wall CO reduction rate increase with increasing wall temperature. Analysis of the species transport budget for CO near the wall before, during and after quenching indicates that there are conditions where diffusion is the dominant transport term. As a consequence, it may be possible to model the near-wall CO using only the integrated diffusion term within certain spatial regions. Dilution increases the size of these regions, whereas increasing pressure reduces this size.     

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.     

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.     

背景辐射中负热容量系统的质量演化讨论及Runge-Kutta法数值模拟

以黑洞为例,在不考虑满足幺正性的情况下得到了在背景辐射中Schwarzschild黑洞的质量随时间变化的微分方程,并对该方程进行了必要的研究和讨论,作为对《新概念物理教程.力学》和《新概念物理教程.热学》中提到的负热容量系统的不稳定性的另一个注释.文章最后用Runge-Kutta法数值模拟了Schwarzschild黑洞的质量演化过程,使广大学生能够更直观地理解这一过程.     

Inversion of combustion gas temperature/concentration profile with radiation/turbulence interaction using SRS

The spectral remote sensing (SRS) method is applied to the combustion gas with radiation/turbulence interaction to invert the temperature and concentration profiles. The flame is made and controlled to be optically thin per each fluctuation length so that spatially fluctuating gas layer can be treated equivalently as timewisely fluctuating one sharing identical expression in the radiative transfer equation. Then, the spectral intensity, temperature and concentration distributions are measured for the inversion and as the reference solutions. From the inversion results, we find that SRS can successfully invert the coupled temperature/concentration fluctuation amplitudes and mean values. For the two cases of experiment, inverted values are in good agreement with measured ones. However, SRS cannot find the detailed local fluctuation parameter such as pattern or phase, etc. as far as they do not affect the resulting radiative intensity. So, it is deduced that the pattern or phase is not so influential, whereas the mean value and the fluctuation amplitude of temperature/concentration profile are important parameters for the radiative intensity in the case of the optically thin condition. Further, the radiation/turbulence interaction is verified to play an important role in the radiation.     

Monte Carlo simulation of radiative heat transfer and turbulence interactions in methane/air jet flames

A Photon Monte Carlo method combined with a composition PDF method is employed to model radiative heat transfer in combustion applications. Turbulence-radiation interactions (TRIs) can be fully taken into account using the proposed method. Sandia's Flame D and artificial flames derived from it are simulated and good agreement with experimental data is found. The effects of different TRI components are investigated. It is shown that, to predict the radiation field accurately, emission TRI must be taken into account, while, as expected, absorption TRI is negligible in the considered nonsooting methane/air jet flames if the total radiation quantities are concerned, but non-negligible for evaluation of local quantities. The influence of radiation on the turbulent flow field is also discussed.     

Coupling of turbulence on the ignition of multicomponent sprays

This study examines the effect of turbulence on the ignition of multicomponent surrogate fuels and its role in modifying preferential evaporation in multiphase turbulent spray environments. To this end, two zero-dimensional droplet models are considered that are representative of asymptotic conditions of diffusion limit and the distillation limit are considered. The coupling between diffusion, evaporation and combustion is first identified using a scale analysis of 0D homogeneous batch reactor simulations. Subsequently, direct numerical simulations of homogeneously dispersed multicomponent droplets are performed for both droplet models, in decaying isotropic turbulence and at quiescent conditions to examine competing time scale effects arising from evaporation, ignition and turbulence. Results related to intra-droplet transport and effects of turbulence on autoignition and overall combustion are studied using an aviation fuel surrogate. Depending on the characteristic scale, it is shown that turbulence can couple through modulation of evaporation time or defer the ignition phase as a result of droplet cooling or gas-phase homogenization. Both preferential evaporation and turbulence are found to modify the ignition delay time, up to a factor of two. More importantly, identical droplet ignition behavior in homogeneous gas phase can imply fundamentally different combustion modes in heterogeneous environments.     

Simultaneous estimation of the temperature and heat rate distributions within the combustion region by a new inverse radiation analysis

A new inverse radiation analysis is presented for estimating the heat rate and temperature distributions in the combustion region from the information of the temperature and heat flux profiles of wall elements in the system. The Monte Carlo method is employed to solve the radiative heat transfer equation. The inverse radiation problem is posed as a minimization problem of the least squares criterion, which is solved by the conjugate gradient method. The performance of the present technique of inverse analysis is evaluated and the effects of the errors of the absorption coefficient, emissivity and convective heat transfer coefficient on the inverse analysis are investigated. The results show that the present technique is robust and yields accurate estimation even with noisy measurement.     

Direct numerical simulation of a fully developed compressible wall turbulence over a wavy wall

Compressible turbulent channel flow over a wavy surface is investigated by direct numerical simulations using high-resolution finite difference schemes. The Reynolds number considered in the present paper is 3380 based on the bulk velocity, the channel half-width and the kinetic viscosity at the wall. Four test cases are simulated and analysed at Ma_m = 0.33, 0.8, 1.2, 1.5 based on the bulk velocity and the speed of sound at the wall. We mainly focus on the curvature and the Mach number effects on the compressible turbulent flows. Numerical results show that although the wavy wall has effects on the mean and fluctuation quantities, log law still exists in the distribution of the wave-averaged streamwise velocity if the roughness effects are taken into consideration in the scaling of it. Near-wall streaks are broken by the wavy surface and near-wall quasi-streamwise vortices mostly begin at the upslope of the wave and pass over the crest of it. The wavy wall makes the turbulence more active and the flow easier to be blended. From the viewpoint of turbulent kinetic budgets, curvature effects strengthen both the diffusion terms and the dissipation terms. At the same time, they change the properties of the compressibility-related terms and promote more inner energy transferring into turbulent kinetic energy. As the Mach number increases, the reattachment of the mean flow is delayed, which indicates the mean separation bubble becomes larger. Concerning the near-wall coherent structures, the vortices are more sparsely distributed with the increasing of the Mach number. For the supersonic cases, shock waves appear. Though they have little effects on the mean turbulent quantities, they change the structures of the flow fields and induce local separations at the upper wall of the channel.     

Monte Carlo molecular simulation of the Na-, Mg-, and mixtures of Na/Mg-montmorillonites systems,in function of the pressure

In this paper, Monte Carlo (MC) simulation has been used to study the swelling pattern of Na-montmorillonite (Na-Mnt), Mg-montmorillonite (Mg-Mnt), and Na/Mg-mixture montmorillonite (4NaMg-Mnt; 2Na2Mg-Mnt). The molecular simulation was performed in the NVT (number of molecules, volume and temperature are constant) ensemble at normal temperature (300 K) and 225, 300, and 340 bar over an H₂O content 147, 196, and 294 mg g^?1 of clay. The simulations reproduce the swelling pattern of Na-Mnt and Mg-Mnt. The predicted spacing of the Na/Mg-Mnt mixtures is closely related to that of Mg-Mnt and confirms the results reported in the literature for Na-rich/Mg-poor Mnt. The results of the water adsorption and the swelling properties on the system Na-Mnt, Mg-Mnt, and the Na/Mg-Mnt mixtures are reflected with a transformation to two-hydrate stages. The probability of the coordination number of Na⁺, Mg²⁺, and mixtures tends to increase with an increasing amount of H₂O molecules, but decreases with increasing pressure. The cation–oxygen distances (Na–O or Mg–O) show two signals, corresponding to the first and second coordination shells, which indicates that the ions behave as in bulk water.     

Proton radiation damage in SrTiO3 thin film by computer simulation

Perovskite ferroelectrics (FEs) have high endurance to radiation. Strontium titanate (STO) (SrTiO₃) is a kind of perovskite FE with a large dielectric constant, which has attracted a good deal of attention due to its excellent dielectric, photoelectric and optical properties. The proton radiation damage in STO thin films is investigated by computer simulations in this work. The threshold displacement energy is an important input parameter for Monte Carlo simulation based on a binary collision approximation model, so we first use molecular dynamics to calculate the averaged threshold displacement energy of Sr, O and Ti atom. The calculated values are 67, 50 and 136 eV, which are obviously larger than default value (25 eV) in the Stopping and Range of Ions in Matter (SRIM) code. The results of the SRIM simulation demonstrate the dependency of vacancy number and position distribution on the proton's energy and the angle of incidence.