3-D simulation of soot formation in a direct-injection diesel engine based on a comprehensive chemical mechanism and method of moments

Here, we propose both a comprehensive chemical mechanism and a reduced mechanism for a three-dimensional combustion simulation, describing the formation of polycyclic aromatic hydrocarbons (PAHs), in a direct-injection diesel engine. A soot model based on the reduced mechanism and a method of moments is also presented. The turbulent diffusion flame and PAH formation in the diesel engine were modelled using the reduced mechanism based on the detailed mechanism using a fixed wall temperature as a boundary condition. The spatial distribution of PAH concentrations and the characteristic parameters for soot formation in the engine cylinder were obtained by coupling a detailed chemical kinetic model with the three-dimensional computational fluid dynamic (CFD) model. Comparison of the simulated results with limited experimental data shows that the chemical mechanisms and soot model are realistic and correctly describe the basic physics of diesel combustion but require further development to improve their accuracy.     

Facile synthesis of SnO2–ZnO core–shell nanowires for enhanced ethanol-sensing performance

The design of core–shell heteronanostructures is powerful tool to control both the gas selectivity and the sensitivity due to their hybrid properties. In this work, the SnO₂–ZnO core–shell nanowires (NWs) were fabricated via two-step process comprising the thermal evaporation of the single crystalline SnO₂ NWs core and the spray-coating of the grainy polycrystalline ZnO shell for enhanced ethanol sensing performance. The as-obtained products were investigated by X-ray diffraction, scanning electron microscopy, and photoluminescence. The ethanol gas-sensing properties of pristine SnO₂ and ZnO–SnO₂ core–shell NW sensors were studied and compared. The gas response to 500 ppm ethanol of the core–shell NW sensor increased to 33.84, which was 12.5-fold higher than that of the pristine SnO₂ NW sensor. The selectivity of the core–shell NW sensor also improved. The response to 100 ppm ethanol was about 14.1, whereas the response to 100 ppm liquefied petroleum gas, NH₃, H₂, and CO was smaller, and ranged from 2.5 to 5.3. This indicates that the core–shell heterostructures have great potential for use as gas sensing materials.     

The optical properties and energy transition process in nanocomposite of polyvinyl-pyrrolidone polymer and Mn-doped ZnS

This study has been carried out on the optical properties of polyvinyl-pyrrolidone (PVP), the energy transition process in nanocomposite of PVP capped ZnS:Mn nanocrystalline and the influence of the PVP concentration on the optical properties of the PVP capped ZnS:Mn nanocrystalline thin films synthesized by the wet chemical method. The microstructures of the samples were investigated by X-ray diffraction, the atomic absorption spectroscopy, and transmission electron microscopy. The results showed that the prepared samples belonged to the sphalerite structure with the average particle size of about 2–3 nm. The optical properties of samples are studied by measuring absorption, photoluminescence (PL) spectra and time-resolved PL spectra in the wavelength range from 200 to 700 nm at 300 K. From data of the absorption spectra, the absorption edge of PVP polymer was found about of 230 nm. The absorption edge of PVP capped ZnS:Mn nanoparticles shifted from 322 to 305 nm when the PVP concentration increases. The luminescence spectra of PVP showed a blue emission with peak maximum at 394 nm. The luminescence spectra of ZnS:Mn–PVP exhibits a blue emission with peak maximum at 437 nm and an orange–yellow emission of ion Mn²⁺ with peak maximum at 600 nm. While the PVP coating did not affect the microstructure of ZnS:Mn nanomaterial, the PL spectra of the PVP capped ZnS:Mn samples were found to be affected strongly by the PVP concentration.     

Pressure-induced structural transformations,orbital order and antiferromagnetism in La<Subscript>0.75</Subscript>Ca<Subscript>0.25</Subscript>MnO<Subscript>3</Subscript>

High pressure evolution of structural, vibrational and magnetic properties of La_0.75Ca_0.25MnO₃ was studied by means of X-ray diffraction and Raman spectroscopy up to 39 GPa, and neutron diffraction up to 7.5 GPa. The stability of different magnetic ground states, orbital configurations and structural modifications were investigated by LDA + U electronic structure calculations. A change of octahedral tilts corresponding to the transformation of orthorhombic crystal structure from the Pnma symmetry to the Immaone occurs above P ~ 6 GPa. At the same time, the evolution of the orthorhombic lattice distortion evidences an appearance of the e _g d _{x² ? z²} orbital polarization at high pressures. The magnetic order in La_0.75Ca_0.25MnO₃ undergoes a continuous transition from the ferromagnetic 3D metallic (FM) ground state to the A-type antiferromagnetic (AFM) state of assumedly 2D pseudo-metallic character under pressure, that starts at about 1 GPa and extends possibly to 20–30 GPa.     

A justification for the use of approximate transition amplitudes in semiclassical surface hopping

Recent work has shown that a certain surface hopping form of the wave function is capable of obtaining highly accurate transition probabilities for nonadiabatic problems. It has also been found that it is necessary to include hops in classically forbidden regions in order to obtain this level of accuracy at low energies. The amplitude for the hops in this surface hopping expansion of the wave function has the typical p^?1/2 semiclassical divergence at the turning points in the classical motion. While this singularity is an integrable divergence, the divergent behavior complicates the numerical evaluation of the integrals over hopping points that is present in the surface hopping expressions. Numerical evidence has shown that only small errors are incurred at most energies if these singular hopping amplitudes are replaced with a nonsingular approximation. This agreement is surprising, since the exact and approximate amplitudes differ greatly in the turning point region, and this region is expected to make important contributions to the transition probability at low energies. A numerical analysis is presented in this work that provides a justification as to why this numerically useful approximation works as well as it does.     

机器视觉在激光干涉测量d31中的应用

提出一种应用机器视觉技术的激光干涉法, 可以研究压电材料的逆压电系数. 在传统干涉测量法中引入机器视觉实现干涉图像灰度最佳估计, 使用数字图像处理技术, 一方面应用降噪算法有效去除激光干涉图样中的噪声, 从而确定激光干涉场的光强分布, 另一方面将干涉图样的明暗变化进一步转化为可量度的灰度变化以提高测量分辨力. 通过合理设计算法, 该方法中对位移的理论测量分辨力可以提高达一个数量级, 为干涉光波长的1/1024, 因此在逆压电系数d₃₁ 的实验测量中可以有效提高分辨力. 关键词： 机器视觉 逆压电系数 双光束干涉 数字图像处理     

Properties of the defect mode in one-dimensional ferroelectric Si/C60 photonic crystals

In the present paper, a novel photonic crystal (PC) defect mode is designed by inserting a ferroelectric material layer (LiNbO₃) into Si/C₆₀ one-dimensional PCs. The band structure of the ferroelectric PCs is numerically analyzed by the transfer matrix method (TMM). The width of the photonic band gap increases by 80 nm and a defect mode appears at a central wavelength of 680 nm when a 150 nm LiNbO₃ layer is inserted into the Si/C₆₀ PC structure. The defect mode in the band gap shifts linearly with the change in electric field. The defect mode shifts by 11.2 nm toward shorter wavelengths when the thin film is subjected to a DC voltage of 1 KV.     

Efficiency and multifractality analysis of CSI 300 based on multifractal detrending moving average algorithm

We apply the multifractal detrending moving average (MFDMA) to investigate and compare the efficiency and multifractality of 5-min high-frequency China Securities Index 300 (CSI 300). The results show that the CSI 300 market becomes closer to weak-form efficiency after the introduction of CSI 300 future. We find that the CSI 300 is featured by multifractality and there are less complexity and risk after the CSI 300 index future was introduced. With the shuffling, surrogating and removing extreme values procedures, we unveil that extreme events and fat-distribution are the main origin of multifractality. Besides, we discuss the knotting phenomena in multifractality, and find that the scaling range and the irregular fluctuations for large scales in the _Fq(s)$F_q\left(s\right)$ vs s$s$ plot can cause a knot.     

Discrete and selective absorption in crystalline molecular nanofilms

Recent research in nano-optical engineering and in nanomedicine as well, seeks for methods of construction of various types of nano-markers, nano-carriers, and ways to deliver drugs to the exactly determined regions of body. In this process it is important to find methods of recognition of certain types of molecules. It is obvious that optical recognition would be the easiest and the most effective way to do it. Our research presents a model of a molecular ultrathin crystalline film and generated exciton system inside it and corresponding methodology of analysis of their optical characteristics. Properties of these spatially very restricted structures are very sensitive to their surrounding surfaces. Using the two-time Green’s functions adapted for crystalline structures with symmetry breaking, and graphical-numerical software, we have calculated the energy spectra and possible exciton states. We have shown that the appearance and the presence of localized states on the surfaces and in the boundary layers of the film depend on the thickness of the film and the film surroundings, presented through the perturbation of parameters on surfaces. Optical properties in these structures demonstrate discrete and very selective resonant absorption spectra, depending on the perturbation on their surfaces.     

New Deformation of Para-Bose Statistics

We propose commutation relations for a single mode -deformed para-Bose oscillator. In this new deformation of para-Bose statistics the distribution function has the same form as in the para-Bose statistics. Furthermore, we show analogies between the coherent states of -deformed and q-deformed para-Bose statistics.