Combustion kinetic model development using surrogate model similarity method

An ideal combustion kinetic model needs to be validated by different experimental targets over a wide range of temperatures and pressures that represent operating conditions in real engines. However, conditions of laboratory experiments for model validation are often limited by the constraint of experimental techniques. In order to improve model predictions under certain conditions (for example, at a relatively higher pressure), it is often needed to use the experimental data obtained under other conditions. In this work, the surrogate model similarity (SMS) method is proposed to find the experimental conditions or targets for model optimisation under certain conditions where the experiments are hard to be conducted. The similarity coefficient is calculated by the cosine similarity between the characteristic coefficients (vectors) of the High Dimensional Model Representation (HDMR) models for different model predictions. A larger similarity coefficient represents a closer relationship between two model predictions. The experimental data with larger similarity coefficients could be more effective to model uncertainty reduction under the concerned conditions. To demonstrate this method, simulations were conducted for two selected combustion systems with hydrogen or methanol as the fuel. In addition to its strength in available experimental data selection for model optimization, this method can be used to screen out experimental targets with strong constraint effect beforehand, thus providing an effective way to maximise utilisation of experimental resources.     

Dielectric properties of nano Si/C/N composite powder and nano SiC powder at high frequencies

The dielectric properties of nano Si/C/N composite powder and nano SiC powder at high frequencies have been studied. The nano Si/C/N composite powder and nano SiC powder were synthesized from hexamethyldisilazane ((Me₃Si)₂NH) (Me:CH₃) and SiH₄–C₂H₂, respectively, by a laser-induced gas-phase reaction. The complex permittivities of the nano Si/C/N composite powder and nano SiC powder were measured at a frequency range of 8.2–12.4 GHz. The real part (′) and imaginary part (″) of the complex permittivity, and dissipation factor (tg δ=″/′) of nano Si/C/N composite powder are much higher than those of nano SiC powder and bulk SiC, Si₃N₄, SiO₂, and Si, especially the tg δ. The promising features of nano Si/C/N composite powder would be due to more complicated Si, C, and N atomic chemical environment than in a mixture of pure SiC and Si₃N₄ phase. The charged defects and quasi-free electrons moved in response to the electric field, diffusion or polarization current resulted from the field propagation. Because there exists graphite in the nano Si/C/N composite powder, some charge carries are related to the sp³ dangling bonds (of silicon and carbon) and unsaturated sp² carbons. The high ″ and tg δ of nano Si/C/N composite powder were due to the dielectric relaxation. The nano Si/C/N composite powder would be a good candidate for electromagnetic interface shielding material.     

用动能定理讨论三线摆的扭转振动

建立了摆的动力学方程,导出了动能定理的微分表达式和积分表达式,用MATLAB软件编程画出了转动动能、平动动能与角坐标间的关系曲线,分析了平动动能对振动周期的影响。     

大口径轻质SiC反射镜的研究与应用

介绍了大口径轻质碳化硅反射镜镜坯的基本结构、性能测试指标、国内应用及发展前景;阐述了碳化硅凝胶注模成型（Gel-casting）、反应烧结SiC（RB-SiC）与压力成型、常压烧结SiC（SSiC）两种国内主要制备大口径轻质碳化硅反射镜的方法;并对两种方法制备得到的ø1.45 m碳化硅镜坯的性能、测试数据及光学加工后的光学特性进行分析和比对,提出存在的问题,以供商榷,进而促进国内大口径轻质碳化硅反射镜的研究和发展。     

Modelling soot formation in a premixed flame using an aromatic-site soot model and an improved oxidation rate

An updated rate of O₂ oxidation of one to four ring polyaromatic hydrocarbons in premixed flames is presented based on density function theory simulations of oxygen attack at different radical sites on various PAHs. The rate is in agreement with other rates found in the literature; however, it is several orders of magnitude lower than the currently accepted oxidation rate of multi-ring aromatic species, including soot. Simulations are presented of a premixed flame using this improved rate and a new advanced soot particle model, which is developed in this paper. This model includes unprecedented detail of the particles in the ensemble, including the aromatic content, C/H composition and primary-particle aggregate structure. The O₂ oxidation rate calculated in this paper is shown to give a better prediction of particle number density and soot volume fraction for a premixed flame. The predicted particle size distributions are shown also to describe better the experimental data. Predicted C/H ratio and PAH size distributions are shown for the flame. Computed TEM-style images are compared to experimental TEM images, which show that the aggregate structure of the particles is well predicted.     

Ozone oxidation of 4H-SiC and flat-band voltage stability of SiC MOS capacitors

We investigate the effect of ozone (O₃) oxidation of silicon carbide (SiC) on the flat-band voltage (V_fb) stability of SiC metal-oxide-semiconductor (MOS) capacitors. The SiC MOS capacitors are produced by O₃ oxidation, and their V_fb stability under frequency variation, temperature variation, and bias temperature stress are evaluated. Secondary ion mass spectroscopy (SIMS), atomic force microscopy (AFM), and x-ray photoelectron spectroscopy (XPS) indicate that O₃ oxidation can adjust the element distribution near SiC/SiO₂ interface, improve SiC/SiO₂ interface morphology, and inhibit the formation of near-interface defects, respectively. In addition, we elaborate the underlying mechanism through which O₃ oxidation improves the V_fb stability of SiC MOS capacitors by using the measurement results and O₃ oxidation kinetics.     

High-mobility SiC MOSFET with low density of interface traps using high pressure microwave plasma oxidation

The microwave plasma oxidation under the relatively high pressure(6 kPa)region is introduced into the fabrication process of SiO2/4 H-SiC stack.By controlling the oxidation pressure,species,and temperature,the record low density of interface traps(~4×10¹⁰cm^-2·eV^-1@Ec-0.2 eV)is demonstrated on SiO2/SiC stack formed by microwave plasma oxidation.And high quality SiO2 with very flat interface(0.27-nm root-mean-square roughness)is obtained.High performance Si C metal–oxide–semiconductor field-effect transistors(MOSFETs)with peak field effect mobility of 44 cm^-2·eV^-1is realized without additional treatment.These results show the potential of a high-pressure plasma oxidation step for improving the channel mobility in SiC MOSFETs.     

粉末材料堆积的物理模型与仿真系统

研究了粉末材料堆积过程仿真的物理模型和系统,并探讨了适合多种不同粒径颗粒混合堆积过程仿真的高性能计算方法.在该仿真系统中,考虑了重力、接触力、阻尼力、摩擦力和范德瓦耳斯力等多种作用力的影响,集成了多种接触力模型和阻尼模型,使其适用于三维大规模粉末材料堆积过程的计算机仿真.利用该系统对粉末材料领域中的两个典型应用进行了模拟研究.模拟了两种相同密度不同粒径颗粒（粒径比为10）的混合堆积过程.当小颗粒数为大颗粒数的300倍时,得到最大的堆积密度（体积分数）为0.82.另外,还模拟了两种不同密度相同粒径颗粒的混合堆积过程.当堆积结束时,出现了明显的分离（segregation）现象和团聚现象.所研究的物理模型和仿真系统既可用于粉末材料堆积过程研究,亦可用于普通的球形物体堆积过程的模拟研究. 关键词： 粉末堆积 物理模型 仿真系统 离散元法     

A semi-detailed kinetic model of char combustion with consideration of thermal annealing

The present paper presents a semi-detailed kinetic model of coal char combustion which embodies consideration of thermal annealing as a mechanism leading to the loss of char combustion reactivity along burn off. The distinctive feature of this model is that deactivation induced by thermal annealing is followed along with combustion. Thermodeactivation is modelled according to the power-law equation proposed by Senneca and Salatino [1]. A semi-detailed combustion mechanism was taken after Hurt and Calo [2] and includes three steps: formation of carbon–oxygen complexes (chemisorption), switch-over of surface oxides and desorption of oxygen complexes to yield combustion products. Computation results allow to discuss the impact of thermal annealing on char combustion under conditions of practical interest.     

SiC/SiO2 coating for improving the oxidation resistive property of carbon nanofiber

The SiC/SiO₂ deposition was performed to improve the oxidation resistive properties of carbon nanofiber (CNF) from electrospinning at elevated temperatures through sol-gel process. The stabilized polyacrylonitrile (PAN) fibers were coated with SiO₂ followed by heat treatment up to 1000 and 1400 °C in an inert argon atmosphere. The chemical compositions of the CNFs surface heat-treated were characterized as C, Si and O existing as SiC and SiO₂ compounds on the surface. The uniform and continuous coating improved the oxidation resistance of the carbon nanofibers. The residual weight of the composite was 70-80% and mixture of SiC, SiO₂ and some residual carbon after exposure to air at 1000 °C.     

Transient properties of a bistable kinetic model with quantum corrections

The transient properties of a Brownian particle moving in a bistable system with quantum corrections are investigated. The Quantum Smoluchowski Equation (QSE) is fully valid for high temperatures; for low temperatures it is valid only in a restricted domain of the state space. The quantum effects in a bistable system stand out for low temperatures. Explicit expressions of the mean first-passage time (MFPT) are obtained by using a steepest-descent approximation. The quantum effects are against the particle moving towards the destination from its original position.     

A chemical kinetic model for chemical vapor deposition of carbon nanotubes

Carbon nanotubes (CNTs) are classified among the most promising novel materials due to their exceptional physical properties. Still, optimal fabrication of carbon nanotubes involves a number of challenges. Whatever be the fabrication method, a process optimization can be evolved only on the basis of a good theoretical model to predict the parametric influences on the final product. The work reported here investigates the dependence of the deposition parameters on the controllable parameters for carbon nanotube growth during Chemical vapor deposition (CVD), through a chemical kinetic model. The theoretical model consisted of the design equations and the energy balance equations, based on the reaction kinetics, for the plug flow and the batch reactor, which simulate the CVD system. The numerical simulation code was developed in-house in a g++ environment. The results predicted the growth conditions for CNT: the deposition temperature, pressure and number of atoms, which were found to be influenced substantially by the initial controllable parameters namely the temperature, volumetric flow rate of the carbon precursor, and the reaction time. An experimental study was also conducted on a CVD system developed in the laboratory, to benchmark the computational results. The experimental results were found to agree well with the theoretical predictions obtained from the model.     

换道概率对交通系统动能的影响

基于跟车模型的特点,提出了跟车模型的动能变化公式,利用该公式研究换道概率对各车辆动能的影响.数值实验结果表明,换道概率和相对速度对各车辆动能产生较大影响,但换道概率和相对速度会分别降低其动能变化频率和幅度.此外,系统增加的平均动能会随着系统最大换道概率的增加而降低.     

X-ray tube spectra measurement and correction using a CdTe detector and an analytic response matrix for photon energies up to 160 keV

The aims of our work were: i) to measure selected normalized X-ray beam spectra with the commercially available cadmium telluride detector based spectrometry system; ii) to construct the approximate response matrix of the detector using a simple algebraic model approach; iii) to reconstruct the physical energy spectra from the measured instrumental spectra using the detector response matrix; iv) to compare the obtained spectra parameters with the published and reference data in order to verify the model and to optimize the measurement setup if necessary. In particular, the spectra of five “narrow-spectrum series” beams, namely N60 to N150, were measured with a spectrometry system consisting of the Amptek XR-100T X-ray semiconductor detector and the PX5 multichannel analyser. Two different measuring geometries were used. The response matrix R(E, E′) of the detector was constructed which quantifies the energy dependence of the relative detection efficiency of the detector, the probabilities of the escape effects, and the probability of the Compton effect. A single matrix operation was applied to recover the physical energy spectra from the measured instrumental ones. The parameters of the corrected spectra were compared with the published and reference data. Despite the fact that the effect of incomplete charge collection was not implemented in the detector model, a fully satisfying quantitative correspondence was observed between the measured corrected spectra and the available reference data.     

Taylor与Agrawal模型的解析求解与模型比较

 采用解析方法对双导传输线Taylor模型和Agrawal模型进行研究,获得了这两个模型基于平面电磁波激励下的终端负载响应的频域解析解,并证明它们的解析解是相同的,从而得到双导传输线基于平面电磁波激励的终端负载响应的频域解析解公式。Taylor模型和Agrawal模型其实是对同一个解的不同描述,由于Agrawal模型比Taylor模型相对简单,因此在实际应用时可以采用Agrawal模型或频域解析解公式进行求解。应用频域解析解公式和Fourier变换与逆变换技术,可以求得终端电压或电流的瞬时响应解。     

Solution of the BGK model kinetic equation for very hard particle interaction

We study the Bhatnagar-Gross-Krook model kinetic equation with a velocity-dependent collision frequency. We derive the conditions that must be verified in order to keep the main physical properties of the Boltzmann equation, i.e.,H-theorem and conservation laws. The particular case of the so-called VHP interaction is considered, and the resulting kinetic equation is solved for a homogeneous and isotropic gas. Overpopulation phenomena are observed and analyzed for some kinds of initial conditions. The results are compared, where possible, with the exact solution of the Boltzmann equation.     

From the eden model to the kinetic growth walk: A generalized growth model with a finite lifetime of growth sites

We propose a new class of cluster growth models where growth sites have a finite lifetime , which contains as special cases the Eden model ( = ) and the kinetic growth walk ( = 1). For finite but large values the growth process can be characterized by a crossover timet _X; for times belowt _X an Eden-type cluster is formed, while for times abovet _X the growth process belongs to the universality class of the self-avoiding random walk. The crossover time increases monotonically with . We develop a scaling theory for the time evolution of the mean end-to-end distance between the seed and the last-added site, and for the average number of growth sites by which the kinetics of the growth process can be characterized. We test this scaling theory by extensive Monte Carlo simulations. We also extend our results to inhomogeneous media (percolation systems).     

Investigation of the effects of Ni-based alloy K465 on the normal spectral emissivity during oxidation

The normal spectral emissivity of Ni-based alloy K465 during oxidation is experimentally measured at 810, 914 and 998 °C for 12 h in air over the wavelength from 1.3 to 2.4 μm. The combined standard uncertainty of the normal spectral emissivity is less than 3%. The oscillations of the emissivity and the effects of oxidation temperature, heating time and wavelength on the emissivity are investigated. The oscillations of the emissivity are formed by the interference effect between the radiation from the surfaces of the substrate and the oxidation film. The oscillation extremums of the emissivity shift towards larger wavelengths as the oxidation process proceeds. The results show that the normal spectral emissivity increases as the temperature increases at the initial time. The normal spectral emissivity decreases as wavelength increases except for the occurrence of the oscillations of the emissivity. The normal spectral emissivity increases rapidly at the initial heating time, and the change of emissivity becomes slow when the oxidation tends to be saturated gradually. Besides, the emissivity fitting models versus heating time and wavelength are established, which fit the experimental results very well. The emissivity relative errors of the fitting models are less than 4%.     

Investigation of flame structure and burning intensity of partially premixed methane enrichment of syngas using OH-PLIF and kinetic simulation

Various experiments were conducted to study the combustion characteristics of partially premixed methane enrichment of syngas by using the OH-PLIF technique. Experiments were conducted on a co-flow burner, and the methane concentration (X_CH4 = CH₄/(H₂+CO+CH₄)) was varied from 0 to 20%, the overall equivalence ratio was varied from 0.4 to 1.2 and the inner equivalence ratio was varied from 1.5 to 3.5. Kinetic simulation was conducted by using OPPDIF module of CHEMKIN-Pro software. Results show that an increase in X_CH4 and ?_overall weakens the OH signal intensity. Adding methane into the fuel greatly increases the height of the inner flame front, and the increase of methane concentration has a negative effect on flame propagation speed. Meanwhile, simulation results remain consistent with the experiments. The main OH radical production reaction changes from R46: H+HO₂ = 2OH to R38: H+O₂ = O+OH when methane concentration contained in the fuel mixture increases. Sensitivity analysis also indicates that reaction which plays a dominant effect on temperature changes with the increase of methane concentration.