Aplicação do método de Monte Carlo no estudo da padronização de radionuclídeos com esquema de desintegração complexos em sistema de coincidencias 4-pi-beta-gama

Tese (Doutoramento)

Avaliação das exposições dos envolvidos em procedimentos intervencionistas usando método Monte Carlo

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Characteristics of Micronozzle Gas Flows

The fluid characteristics of gas flows in the micronozzle whose throat height is 20 μm were investigated by the direct simulation Monte Carlo (DSMC) method. In a series of cases, the dependence of mass flux on the pressure difference was gained, and the DSMC's results show good agreement with the experimental data. The comparison of mass flux and the Mach number contours between the DSMC and Navier-Stokes equations adding slip boundary also reveals quantitatively that the continuum model will be invalid gradually even when the average Knudsen number is smaller than 0.01. As one focus of the present paper, the phenomenon of the multiple expansion-compression waves that comes from the nozzle's divergent part was analyzed in detailed.

Vaporization of heated materials into discharge plasmas

The vaporization of condensed materials in contact with high-current discharge plasmas is considered. A kinetic numerical method named direct simulation Monte Carlo (DSMC) and analytical kinetic approaches based on the bimodal distribution function approximation are employed. The solution of the kinetic layer problem depends upon the velocity at the outer boundary of the kinetic layer which varies from very small, corresponding to the high-density plasma near the evaporated surface, up to the sound speed, corresponding to evaporation into vacuum. The heavy particles density and temperature at the kinetic and hydrodynamic layer interface were obtained by the analytical method while DSMC calculation makes it possible to obtain the evolution of the particle distribution function within the kinetic layer and the layer thickness.

Thickness And Component Distributions Of Yttrium-Titanium Alloy Films In Electron-Beam Physical Vapor Deposition

Thickness and component distributions of large-area thin films are an issue of international concern in the field of material processing. The present work employs experiments and direct simulation Monte Carlo (DSMC) method to investigate three-dimensional low-density, non-equilibrium jets of yttrium and titanium vapor atoms in an electron-beams physical vapor deposition (EBPVD) system furnished with two or three electron-beams, and obtains their deposition thickness and component distributions onto 4-inch and 6-inch mono-crystal silicon wafers. The DSMC results are found in excellent agreement with our measurements, such as evaporation rates of yttrium and titanium measured in-situ by quartz crystal resonators, deposited film thickness distribution measured by Rutherford backscattering spectrometer (RBS) and surface profilometer and deposited film molar ratio distribution measured by RBS and inductively coupled plasma atomic emission spectrometer (ICP-AES). This can be taken as an indication that a combination of DSMC method with elaborate measurements may be satisfactory for predicting and designing accurately the transport process of EBPVD at the atomic level.

Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

The chemisorption of CO on a Cr( 110) surface is investigated using the quantum Monte Carlo method in the diffusion Monte Carlo (DMC) variant and a model Cr2CO cluster. The present results are consistent with the earlier ab initio HF study with this model that showed the tilted/ near-parallel orientation as energetically favoured over the perpendicular arrangement. The DMC energy difference between the two orientations is larger (1.9 eV) than that computed in the previous study. The distribution and reorganization of electrons during CO adsorption on the model surface are analysed using the topological electron localization function method that yields electron populations, charge transfer and clear insight on the chemical bonding that occurs with CO adsorption and dissociation on the model surface.

Information Preservation Modeling of Rayleigh-Benard Transition from Thermal Conduction to Convection

Onset and evolution of the Rayleigh-Benard (R-B) convection are investigated using the Information Preservation (IP) method. The information velocity and temperature are updated using the Octant Flux Splitting (OFS) model developed by Masters & Ye based on the Maxwell transport equation suggested by Sun & Boyd. Statistical noise inherent in particle approaches such as the direct simulation Monte Carlo (DSMC) method is effectively reduced by the IP method, and therefore the evolutions from an initial quiescent fluid to a final steady state are shown clearly. An interesting phenomenon is observed: when the Rayleigh number (Ra) exceeds its critical value, there exists an obvious incubation stage. During the incubation stage, the vortex structure clearly appears and evolves, whereas the Nusselt number (Nu) of the lower plate is close to unity. After the incubation stage, the vortex velocity and Nu rapidly increase, and the flow field quickly reaches a steady, convective state. A relation of Nu to Ra given by IP agrees with those given by DSMC, the classical theory and experimental data.

Kinetic Study Of The Rayleigh-Benard Flows

The present paper employs the direct simulation Monte Carlo (DSMC) method to study the Rayleigh-Benard flows, where the temperature ratio of the upper to lower plate is fixed to 0.1. For a Knudsen number (Kn) of 0.01, as the Rayleigh number (Ra) increases, the flow changes from the thermal conductive state to the convective state at about Ra=1700, and the calculated relation of heat flux through the lower plate versus Ra is in good agreement with classical experimental and theoretical results. For Kn=0.05, the thermal conductive state remains stable, and the increase of Ra cannot trigger thermal instability.

Exact solutions to collisionless external gas flows

This paper presents exact density, velocity and temperature solutions for two problems of collisionless gas flows around a flat plate or a spherical object. At any point off the object, the local velocity distribution function consists of two pieces of Maxwellian distributions: one for the free stream which is characterized by free stream density, temperature and average velocity, n0, T0, U0; and the other is for the wall and it is characterized by density at wall and wall temperature, nw,Tw. Directly integrating the distribution functions leads to complex but exact flowfield solutions. To validate these solutions, we perform numerical simulations with the direct simulation Monte Carlo (DSMC) method. In general, the analytical and numerical results are virtually identical. The evaluation of these analytical solutions only requires less than one minute while the DSMC simulations require several days.

Development of an efficient particle approach for micro-scale gas flow simulations

The micro-scale gas flows are usually low-speed flows and exhibit rarefied gas effects. It is challenging to simulate these flows because traditional CFD method is unable to capture the rarefied gas effects and the direct simulation Monte Carlo (DSMC) method is very inefficient for low-speed flows. In this study we combine two techniques to improve the efficiency of the DSMC method. The information preservation technique is used to reduce the statistical noise and the cell-size relaxed technique is employed to increase the effective cell size. The new cell-size relaxed IP method is found capable of simulating micro-scale gas flows as shown by the 2D lid-driven cavity flows.

IP方法模拟硬盘读写头气膜润滑问题

本论文中采用IP方法模拟硬盘读写头的气膜润滑问题，并选择耗时但精准的DSMC方法作为该问题中IP方法的检验标准，IP方法计算得到的读写头表面压力分布及读写头所受净升力为读写头的设计提供可靠的参考数据。 首先，将读写头复杂表面简化为平面并假定尺寸为微米（远小于真实的毫米），微米尺寸时可以得到DSMC的模拟结果用于比较。IP法对该问题的模拟结果与DSMC的模拟结果完全吻合。 其次，选定一个真实的读写头表面几何，但仍然假定尺寸为微米。IP法在该问题的应用过程中遇到四点困难，我们提出或采取了相应的解决办法。在复杂表面几何的读写头气膜润滑问题中，IP法的模拟结果与DSMC的模拟结果也相符一致。 最后完成真实几何、真实尺寸（毫米）的读写头气膜润滑问题的模拟，这也是本论文的最终研究目标。IP法模拟该问题时需要采用大网格，为此我们构造二维检验模型验证了大网格的合理性。 真实几何读写头气膜润滑问题的模拟结果表明，在流场的局部区域压力沿着高度方向变化显著，这意味着读写头问题的传统计算方法（即概括性雷诺方程）在该局部区域不成立，故用它计算得到的结果值得认真检验，但文献中尚未给出过这类检验。这正是该论文的研究背景和采用新方法（IP方法）的原因。 本论文研究的问题属于过渡领域、低速流动问题，故本论文还介绍了该领域另外一种粒子模拟方法（LVDSMC方法）以及我们对该方法提出的一些改进。 关键词：硬盘读写头，气膜润滑，概括性雷诺方程，IP方法，DSMC方法，过渡领域，LVDSMC方法

Adaptive sequential Monte Carlo approach for real-time applications

This paper presents an adaptive Sequential Monte Carlo approach for real-time applications. Sequential Monte Carlo method is employed to estimate the states of dynamic systems using weighted particles. The proposed approach reduces the run-time computation complexity by adapting the size of the particle set. Multiple processing elements on FPGAs are dynamically allocated for improved energy efficiency without violating real-time constraints. A robot localisation application is developed based on the proposed approach. Compared to a non-adaptive implementation, the dynamic energy consumption is reduced by up to 70% without affecting the quality of solutions. © 2012 IEEE.