Simulation of scattering in dense medium by Monte Carlo method

We present a Monte Carlo (MC) method to simulate the scattering for medium within randomly distributed particles, discuss the convergence of this method by varying the size parameter ka, volume parameter η and calculation parameter Ni, then compare this method with the classical iteration method with the same parameters. The calculation results showed that this method has good convergence and accords with the iteration method while consuming less CPU time. At the end of this paper, this method is used to discuss the visual light scatter in the c-Si/α-Si films.

Calculation of Neutral Particle Energy Spectra in Tokamak by Using the Monte Carlo Method

Neutral particle energy spectra in the HT-7 tokamak are calculated by using the Monte Carlo method. It can reproduce the spectra measured in experiment. Differences of neutral particle energy spectra in higher and lower electron density plasma are discussed. Results show that the ion temperature given by neutral particle energy spectra is lower than the real ion temperature, but the deviation is within 10% if the ion temperature is less than 800 eV and thecentral chord-averaged electron density does not exceed 3 ×1013 cm-3. But for ion temperature higher than 1000 eV at the central chord-averaged density limit up to 5 ×1013 cm-3, the neutral particle energy spectra can still give the ion temperature within 10% deviation.

Speckle intensity images of target based on Monte Carlo method

Speckle intensity in the detector plane is deduced in the free-space optical system and imaging system based on Van Cittert-Zemike theorem. The speckle intensity images of plane target and conical target are obtained by using the Monte Carlo method and measured experimentally. The results show that when the range extent of target is smaller, the speckle size along the same direction become longer, and the speckle size increase with increasing incident light wavelengths. The speckle size increases and the speckle intensity images of target is closer to the actual object when the aperture scale augments. These findings are useful to access the target information by speckle in laser radar systems.

Monte Carlo Integration Technique for Method of Moments Solution of EFIE in Scattering Problems

An integration technique based on use of Monte Carlo Integration is proposed for Method of Moments solution of Electric Field Integral Equation. As an example numerical analysis is carried out for the solution of the integral equation for unknown current distribution on metallic plate structures. The entire domain polynomial basis functions are employed in the MOM formulation which leads to only small number of matrix elements thus saving significant computer time and storage. It is observed that the proposed method not only provides solution of the unknown current distribution on the surface of the metallic plates but is also capable of dealing with the problem of singularity efficiently.

An improved Monte Carlo method of low-energy electron scattering in solids

The studies on the theories and calculation method of low-energy electron scattering(LEES) in solids have provided a basis for the development of electron microscopy andelectron beam lithography. In the energy region where the primary energy of incident elec-

CALCULATION OF SURFACE TENSION OF LIQUIDS BY MONTE CARLO METHOD

In this paper a method has been proposed for the calculation of cohesive work and thus sur-face tension of liquids by the Monte Carlo computer simulation method with the use of Kihara po-tential. The surface tension values calculated for liquid argon, oxygen and nitrogen are in fairagreement with the experimental data.

Atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering correction

In high-altitude nuclear detonations,the proportion of pulsed X-ray energy can exceed 70%,making it a specific monitoring signal for such events.These pulsed X-rays can be captured using a satellite-borne X-ray detector following atmospheric transmission.To quantitatively analyze the effects of different satellite detection altitudes,burst heights,and transmission angles on the physical processes of X-ray transport and energy fluence,we developed an atmospheric transmission algorithm for pulsed X-rays from high-altitude nuclear detonations based on scattering correction.The proposed method is an improvement over the traditional analytical method that only computes direct-transmission X-rays.The traditional analytical method exhibits a maximum relative error of 67.79% compared with the Monte Carlo method.Our improved method reduces this error to within 10% under the same conditions,even reaching 1% in certain scenarios.Moreover,its computation time is 48,000 times faster than that of the Monte Carlo method.These results have important theoretical significance and engineering application value for designing satellite-borne nuclear detonation pulsed X-ray detectors,inverting nuclear detonation source terms,and assessing ionospheric effects.

Multiple scattering of light by water cloud droplets with external and internal mixing of black carbon aerosols

The mixture of water cloud droplets with black carbon impurities is modeled by external and internal mixing models.The internal mixing model is modeled with a two-layered sphere（water cloud droplets containing black carbon（BC） inclusions）,and the single scattering and absorption characteristics are calculated at the visible wavelength of 0.55 μm by using the Lorenz-Mie theory.The external mixing model is developed assuming that the same amount of BC particles are mixed with the water droplets externally.The multiple scattering characteristics are computed by using the Monte Carlo method.The results show that when the size of the BC aerosol is small,the reflection intensity of the internal mixing model is bigger than that of the external mixing model.However,if the size of the BC aerosol is big,the absorption of the internal mixing model will be larger than that of the external mixing model.

Light scattering by a spherical particle with multiple densely packed inclusions

This paper calculates light scattering by a spherical water particle containing densely packed inclusions at a visible wavelength 0.55 μm by a combination of ray-tracing and Monte Carlo techniques. While the individual reflection and refraction events at the outer boundary of a sphere particle are considered by a ray-tracing program, the Monte Carlo routine simulates internal scattering processes. The main advantage of this method is that the shape of the particle can be arbitrary, and multiple scattering can be considered in the internal scattering processes. A dense-medium light-scattering theory based on the introduction of the static structure factor is used to calculate the phase function and asymmetry parameters for densely packed inclusions. Numerical results of the single scattering characteristics for a sphere containing multiple densely packed inclusions are given.

Multiple scattering and modeling of laser in fog

When a laser is transmitted in fog, and the water droplets will scatter and absorb the laser, which affects the intensity of the laser transmission and the accuracy of radar detection. Therefore, it is of great significance to study the laser transmission in the fog. At present, the main method of calculating the scattering and attenuation characteristics of fog is based on the radiation transmission theory, which is realized by a large number of numerical calculations or physical simulation methods, which takes time and cannot meet the requirements for obtaining the fast and accurate results. Therefore, in this paper established are a new laser forward attenuation model and backward attenuation model in low visibility fog. It is found that in low visibility environments, the results calculated by the Monte Carlo method are more accurate than those from most of the existing forward attenuation models. For the cases of 0.86-μm, 1.06-μm, 1.315-μm, 10.6-μm typical lasers incident on different fogs with different visibilities, a backscatter model is established, the error between the fitting result and the calculation result is analyzed, the backward attenuation fitting parameters of the new model are tested, and a more accurate fitting result is obtained.

Reconstruction of Temperature Field in 3-D, Absorbing, Emitting, and Anisotropically Scattering Medium

The soft measurement technology of flame temperature field is an efficient method to learn the combustion status in furnace. Generally, it reconstructs the temperature field in furnace through the image of flame, which is a process to solve radiative inverse problem. In this paper, the flame of pulverized coal is considered as 3-D, absorbing, emitting, and anisotropically scattering non-gray medium. Through the study on inverse problem of radiative heat transfer, the temperature field in this kind of medium has been reconstructed. The mechanism of 3-D radiative heat transfer in a rectangular media, which is 2 m×3 m× 5 m and full of CO2, N2 and carbon particles, is studied with Monte Carlo method. The 3-D temperature field in this rectangular space is reconstructed and the influence of particles density profile is discussed.

Differential diffusion quantum Monte Carlo method: determination of potential energy surfaces of molecules

A differential approach for self-optimizing diffusion Monte Carlo calculation was proposed in this paper, which is a new algorithm combining three techniques such as optimizing, diffusion and correlation sampling. This method can be used to directly compute the energy differential between two system in the diffusion process, making the statistical error of calculation be reduced to Order of 10?-5 hartree, and recover about more than 80% of the correlation. We employed this approach to set up a potential energy surface of a molecule, used a “rigid move” model, and utilized Jacobi transformation to make energy calculation for two configurations of a molecule having good positive correlation. So, an accurate energy differential could be obtained, and the potential energy surface with good quality can be depicted. In calculation, a technique called “post-equilibrium remaining sample” was set up firstly, which can save about 50% of computation expense. This novel algorithm was used to study the potential as molecular spectroscopy and the energy variation in chemical reactions.

Free Energy Level Correction by Monte Carlo Resampling with Weighted Histogram Analysis Method

Free energy calculations may provide vital information for studying various chemical and biological processes.Quantum mechanical methods are required to accurately describe interaction energies,but their computations are often too demanding for conformational sampling.As a remedy,level correction schemes that allow calculating high level free energies based on conformations from lower level simulations have been developed.Here,we present a variation of a Monte Carlo(MC)resampling approach in relation to the weighted histogram analysis method(WHAM).We show that our scheme can generate free energy surfaces that can practically converge to the exact one with sufficient sampling,and that it treats cases with insufficient sampling in a more stable manner than the conventional WHAM-based level correction scheme.It can also provide a guide for checking the uncertainty of the levelcorrected surface and a well-defined criterion for deciding the extent of smoothing on the free energy surface for its visual improvement.We demonstrate these aspects by obtaining the free energy maps associated with the alanine dipeptide and proton transfer network of the KillerRed protein in explicit water,and exemplify that the MC resampled WHAM scheme can be a practical tool for producing free energy surfaces of realistic systems.

A new hybrid method—combined heat flux method with Monte-Carlo method to analyze thermal radiation

A new hybrid method, Monte-Carlo-Heat-Flux （MCHF） method, was presented to analyze the radiative heat transfer of participating medium in a three-dimensional rectangular enclosure using combined the Monte-Carlo method with the heat flux method. Its accuracy and reliability was proved by comparing the computational results with exact results from classical ＂Zone Method＂.

Hartree-Fock quantum Monte Carlo method

QUANTUM Monte Carlo (QMC) approach has already been successfully utilized in quantumchemistry. However, QMC algorithm brings statistical errors that are sharply increasedas the investigated system is enlarged. We proposed in terms of correlated sampling a novel al-gorithm with a better precision and a smaller error. However, the modified QMC methodproposed has still two problems: (i) the 'random term' in the process of calculation is un-

Self-optimizing Diffusion Quantum Monte Carlo Calculation: the Potential Energy Curve of C_2

In this paper we propose a novel diffusion quantum Monte Carlo algo-rithm, it is a self-optimizing and self-improving procedure. The method has been em-ployed to calculate the potential energy curve of C2. The total energies for the X 1Σg+state of C2 were calculated at seven values of the bond length: 0. 106, 0. 111, 0. 124,0. 132, 0. 143, 0. 159 and 0. 185 nm; and a smooth potential energy curve was ob-tained, because when the self-optimizing technique is used, the statistical error decreas-es tremendously. The calculation results on the potential energy curve of C2 show thatthe self-optimizing diffusion quantum Monte Carlo method proposed in the present pa-per is successful.

Virtual Experimental System to Quantitative Characterization of Corroded Samples Using Monte Carlo Simulation

A computer simulation program based on Monte Carlo method and photon backscattering technique was designed and written to be as virtual experimental system, instead of the real experimental system, concerning nondestructive testing of corroded materials. The simulation based on this program was able to analyze the energy distribution of photons that reach a detector system after suffering several successive Compton scattering events in a target. The information has been obtained by this technique is strongly related to the material density, this allows changes in the material uniformity to be monitored. On these bases, the present computer simulation program is described to quantitatively characterize the corrosion status of steel samples under insulation. The program is carded out on FeO, Fe203, Fe304, Fe（OH）2 and F^C12. The results of this work were compared with the theoretical and experimental data. The comparison showed that are in good agreement with the published data. Our simulation results are useful for training and development of human resources, staff and students, in the field of application of nuclear techniques, particularly, in structural industries and industry of petroleum and gas.

聚合物中多重光散射传导的Monte Carlo数值模拟

基于米氏散射(Mie scattering)理论,建立填充分散粒子群的聚合物对光散射传导的Monte Carlo数学模型.在此基础上,编写了一套仿真模拟程序.通过模拟单个光子在聚合物中的多重散射运动过程,把问题扩展到以激光束或线状光为入射源,得到在聚合物板块内的光传导情况,并且在计算机上图像化地重现整个物理过程,对输出光强的分布情况进行模拟统计分析.模拟结果表明,利用体散射机制,可以将点光源和线光源转换为平面光输出,输出光的状态可以通过对比计算结果实施有效控制.

铜团簇Cu_n(n=2-60)的基态能量与几何结构的Monte Carlo模拟

采用蒙特卡洛(MC)方法和嵌入原子势(EAM)函数,研究了铜原子团簇的结构及其结合能。表明铜原子团簇在n值较小时,趋向于立体结构,而非平面结构;n>13的铜团簇都是在正二十面体的基础上添加原子形成的,通过分析团簇的结构和能量之间的关系发现,如果添加原子后形成的Cun具有较高的对称性,那么这种铜团簇的结构就稳定。

FTO客体3m闪光照相的Monte-Carlo研究

研究了客体模型FTO的闪光照相系统X光输运过程,给出了直穿照射量、散射照射量、直散比、直穿照射量能谱、散射照射量能谱、直穿X光通量能谱和散射X光通量能谱在记录平面的空间分布。结果表明:后锥是照射量散射成分的主要来源,后锥照射量占总散射量97%;后锥也是造成散射的空间分布不均匀的主要器件,这一不均匀性高达58%。照相系统的最小直散比非常小,表明锥造成的散射已经严重地淹没了直穿(轫致辐射)信号。计算中使用高空间分辨率记录法进行分点,合成图像对吸收系数的复原结果与国外报道的结果相符。