Monte Carlo simulation of steps behavior on Si(111) surface during sublimation

Investigation of steps behavior on vicinal (111) surface during sublimation was carried out using 3D-model of diamond-like crystal. Step width periodic variations predicted by Schwoebel were found by modeling. Diamond-like crystal structure results in the asymmetry in atom fluxes to the upper or lower terraces, with the sign of asymmetry depending on the step structure. The essential effect of vacancies created on terraces on migration length of atoms was revealed.     

外延生长亚单层Si薄膜的动力学蒙特卡罗模拟

建立了沿Si(100)方向外延生长亚单层Si薄膜的动力学蒙特卡罗模拟模型,对二维Si薄膜的生长过程及二维Si岛的形貌演变进行了研究.结果表明,在一定的入射率下存在一最佳成岛温度,该温度随入射率的增大而升高.以最佳成岛温度生长时,岛密度随覆盖度的增加呈现增加-饱和-减小的变化规律.在低温和高入射率下,岛密度随覆盖度单调增加,薄膜呈离散生长.而温度很高和入射率很低时,岛密度始终以很小的数值在小范围内振荡,薄膜呈紧致生长.     

Detection unit optimization of a neutron searching detector using Monte Carlo Simulations

The NSD is a portable Neutron Searching Detector developed at Rotem Industries Ltd. with a high efficiency for counting fast and thermal neutrons employing improved gamma rejection. The NSD detection-unit consists of two ³He detectors installed within a polypropylene moderator. The latest international standards for detection of illicit trafficking of radioactive materials require high sensitivity, relatively small dimensions, and light mass. In order for it to meet these standards, the NSD detection-unit was optimized using Monte Carlo N-Particle transport code (MCNP). The moderator mass and dimensions were reduced without deterioration, even improving the instrument's sensitivity. The purposed moderator improvements covered in this paper work well for traditional hand-held neutron search detectors based on ³He tubes as well as for new neutron detection technologies due to the severe worldwide shortage of ³He.Three geometrical moderator configurations were examined using the MCNP code—a rectangular box, a circular cylinder, and an elliptical base cylinder. The optimization results showed that both the rectangular box moderator and the elliptical base cylinder moderators achieve the appropriate sensitivity required by the standards with about 30% reduced mass. A prototype was fabricated with the rectangular box moderator configuration, and its response was successfully validated by comparing empirical measurements against the results of the MCNP code.Performance examination of the optimal detection unit prototype was made regarding the latest international standards. The results showed a 17% improvement in detection limit for radioactive materials along with a 14% to 17% increased neutron detection response, while keeping the false alarm rate below the required threshold, and maintaining a 26% mass reduction.     

EFFTRAN—A Monte Carlo efficiency transfer code for gamma-ray spectrometry

An implementation of the efficiency transfer method for cylindrical samples in gamma-ray spectrometry is presented, based on a Monte Carlo integration of the interaction probabilities of gamma rays over the detector and sample volumes. This approach makes it possible for the computer code to be relatively straightforward to write and the speed of the calculation to be adequate for routine on-line analysis of gamma-ray spectra. Virtual components of the detector system are introduced to prevent any erroneous or double counting of gamma-ray paths, which simplifies the tracking algorithm.     

Robust optimization of concrete strength estimation using response surface methodology and Monte Carlo simulation

A new approach is proposed for the robust optimization of concrete strength estimation using response surface methodology and Monte Carlo simulation. The essence of the suggested procedure lies in the reliable prediction of concrete strength as a simple function of unit mass, water/cement ratio, age and superplasticizer content. The derived model provides sufficiently accurate results for the calibration and verification phases, the latter of which is conducted using data that were not used for model development. The results of additional analysis indicate that residuals in the calibration and verification stages have a normal distribution. Is its also shown that the uncertainty of estimated coefficient values has a statistically insignificant effect on concrete strength, confirming the reliability of the proposed model. Moreover, analysis of the effect of laboratory measurement errors indicates the robustness of concrete compressive strength against the variation in measured parameter values.     

Kinetic Monte Carlo simulation of an atomistic model for oxide island formation and step pinning during etching by oxygen of vicinal Si(100)

A lattice-gas model is developed to describe the simultaneous oxidation and etching of Si(100) surfaces exposed oxygen. The model incorporates nucleation of oxide islands via conversion of on-surface to back-bonded oxygen, together with an observed transformation in the shapes of just-formed islands from linear to two-dimensional. Model analysis via Kinetic Monte Carlo simulation quanti?es oxygen uptake and oxide island nucleation kinetics, including possible enhanced nucleation at step edges. Simulated etching of vicinal Si(100) surfaces reveals that receding steps are pinned by oxide islands and transform into ?nger-like structures even at higher temperatures where oxide island growth is inhibited.     

Monte Carlo simulation of pulse pile-up effect in gamma spectrum of a PGNAA system

We have applied a pile-up Monte Carlo simulation code on gamma spectrum of a prompt gamma neutron activation analysis (PGNAA) system. The code has been run in nonparalyzable mode for a specific geometry of a PGNAA system with ²⁴¹Am-⁹Be source and NaI(Tl) detector to obtain the distortion due to “pile-up” in the pulse height of gamma spectrum. The results show that the main background in the nitrogen region of interest (ROI) is due to two pile-ups. We have also evaluated the variation of count rate and total photon sampling over the Monte Carlo spectra. At high count rates, not only the nitrogen ROI but also carbon ROI, and hydrogen peak are disturbed strongly. Comparison between the results of simulations and the experimental spectra has shown a good agreement. The code could be used for other source setups and different gamma detection systems.     

光子在闪烁晶体中传输的蒙特卡罗模拟

为了找到构筑闪烁晶体探测器的优化方法，使用蒙特卡罗方法对闪烁晶体BGO（Bi4Ge3O12，锗酸铋）的光收集效率进行了模拟研究。模拟结果表明：入射面为粗糙面，其余为抛光面，同时外层包装上高反射率的材料，可得到最大的光输出（约59．1％的光子被收集）；耦合剂的折射率的得到高的光输出也起着非常重要的作用。     

Determination of correction factors for borehole natural gamma-ray measurements by Monte Carlo simulations

The analysis of natural γ-ray spectra measured in boreholes has to take into account borehole parameters such as the presence of casings and borehole diameter. For large, high-efficiency γ-ray detectors, such as BGO-based systems, which employ full-spectrum data analysis, corresponding corrections were not previously determined. In a joint project of the Nuclear Geophysics Division of the Kernfysisch Versneller Instituut (NGD/KVI), Groningen, Medusa Explorations B.V. and the Dutch Institute for Applied Geosciences (TNO-NITG) a catalogue of corrections was constructed. Using the Monte Carlo code MCNP, the influence of steel casings, borehole diameter, central axis probe position and the diameter of the γ-ray detector on the γ-ray spectra has been investigated for nearly 20 geometries. The calculated γ-ray spectra are compared qualitatively and quantitatively. In a case study, γ-ray spectra from a borehole measured in a cased and uncased configuration are analyzed with simulated spectra. When no corrections are used, the activity concentrations deviated by as much as 50% between the two measurements. Taking into account the specific measurement geometry, the activity concentrations were found to be identical within the statistical and systematic uncertainties of the experiment for the same borehole, with and without casing. These results illustrate the need for borehole-specific corrections and this study demonstrates that Monte Carlo methods are a fast and reliable way to calibrate well-logging tools for a wide variety of configurations.     

Procedures of Monte Carlo transport simulation for applications in system engineering

Monte Carlo (MC) simulation is the most promising tool for performing realistic reliability and availability analysis of complex systems. Yet, the efficient use of MC simulation technique is not trivial in large scale applications.This paper considers the two commonly adopted approaches to MC simulation: the direct, component-based approach and the indirect, system-based approach. The mathematical details of the two approaches are worked out in detail, so as to show their probabilistic equivalence. The proper formulation for biasing the simulation is introduced, thus leading to the correct expressions for the statistical weights.Both approaches are applied, in an analog as well as in a biased scheme, to a simple system of the literature and comparisons are made with respect to the computing time and the goodness of the estimate, as measured by the variance of the results.     

Optimisation of secondary electron detector for variable pressure SEM with Monte Carlo method

A computer programme for numerical modelling of electron flow in vacuum instruments is presented. The programme allows to simulate trajectories of charged particles in both high and low vacuum of the order of tens milibars. It combines a commercially available packet SIMION 3D v.7.0 destined for tracing trajectories of charged particles in electric and magnetic fields, and a Monte Carlo programme modelling phenomena accompanying electron collisions with gas molecules. The programme was applied for analysis and optimisation of a novel secondary electron detector for a variable-pressure scanning electron microscopy.     

Defining the surface binding energy in dynamic Monte Carlo simulation for reactive sputtering of compounds

In Monte Carlo simulations of reactive sputtering, it is commonly assumed that the surface binding energy (SBE) for the different phases in the target exhibits a linear behaviour in the transition between the metal mode and the compound mode. In this work we study how the transition between the two modes takes place, and more specifically attempt to experimentally identify how the SBE for the different phases behaves in the transition between the two modes. In essence, this is done by comparing XPS measurements of the aluminium 2p binding energy on samples comprising pure aluminium, stoichiometric aluminium nitride and aluminium oxide with the corresponding measurements on understoichiometric aluminium nitride samples. In this work, it is assumed that the binding energy of the core level is directly correlated to the SBE of the phase in question. That is to say, if the aluminium 2p binding energy in aluminium nitride exhibits a constant and discrete value independent of the nitrogen concentration, the SBE for the compound exhibits a constant and discrete value independent of the surface concentration of nitrogen. It was found by the XPS measurement that the aluminium 2p binding energy in aluminium nitride exhibits a constant and discrete value independent of the nitrogen concentration in the samples and it was, therefore, concluded that the SBE for the different phases exhibits constant and discrete values independent of the surface concentration of nitrogen. The discrete behaviour of the SBE was implemented in the TRIDYN program and the results from these simulations were compared with simulations in which it is assumed that the SBE of the different phases exhibits a linear behaviour in the transition between the metal mode and the compound mode.     

Monte Carlo simulation of the homogeneous cooling state for a granular mixture

 The Direct Simulation Monte Carlo (DSMC) method is used to numerically solve the Enskog equation for a granular binary mixture in the homogeneous cooling state (HCS). The fourth velocity moments, the temperature ratio, and also the velocity distribution functions are obtained and compared with approximate analytical results derived recently from a Sonine polynomial expansion [V. Garzó and J. W. Dufty, Phys. Rev. E 60, 5706 (1999)]. The comparison shows an excellent agreement between both approaches, even for strong dissipation or disparate values of the mechanical parameters of the mixture. In contrast to previous studies, the partial temperatures of each species are clearly different, so that the total energy is not equally distributed between both species. Finally, in the same way as in the one-component case, the simulation as well as the theory show a high energy tail of the distribution functions. Received: 9 May 2001     

Understanding the kinetics and nanoscale morphology of electron-beam-induced deposition via a three-dimensional Monte Carlo simulation: the effects of the precursor molecule and the deposited material

The electron-beam-induced deposition of silicon oxide from tetraethyorthosilicate and tungsten from tungsten hexafluoride is simulated via a Monte Carlo simulation. Pseudo one-dimensional nanopillars are grown using comparable electron-beam parameters and a comparison of the vertical and lateral growth rate and the pillar morphology is correlated to the precursor and deposited material parameters. The primary and secondary electrons (type I) are found to dominate the vertical growth rate and the lateral growth rate is dominated by forward and secondary electrons (type II). The resolution and morphology of the nanopillars are affected by the effective electron interaction volume and the resultant surface coverage of the precursor species in the effective electron interaction region. Finally, the simulated results are compared to previously reported experimental results.     

A Monte Carlo method for calculating the energy response of plastic scintillators to polarized photons below 100 keV

The energy response of plastic scintillators (Eljen Technology EJ-204) to polarized soft gamma-ray photons below 100 keV has been studied, primarily for the balloon-borne polarimeter, PoGOLite. The response calculation includes quenching effects due to low-energy recoil electrons and the position dependence of the light collection efficiency in a 20 cm long scintillator rod. The broadening of the pulse-height spectrum, presumably caused by light transportation processes inside the scintillator, as well as the generation and multiplication of photoelectrons in the photomultiplier tube, were studied experimentally and have also been taken into account. A Monte Carlo simulation based on the Geant4 toolkit was used to model photon interactions in the scintillators. When using the polarized Compton/Rayleigh scattering processes previously corrected by the authors, scintillator spectra and angular distributions of scattered polarized photons could clearly be reproduced, in agreement with the results obtained at a synchrotron beam test conducted at the KEK Photon Factory. Our simulation successfully reproduces the modulation factor, defined as the ratio of the amplitude to the mean of the distribution of the azimuthal scattering angles, within 5% (relative). Although primarily developed for the PoGOLite mission, the method presented here is also relevant for other missions aiming to measure polarization from astronomical objects using plastic scintillator scatterers.     

A combination of Monte Carlo simulation and cellular automata for computing the availability of complex network systems

This paper combines Monte Carlo simulation and cellular automata for computing the availability of a complex network system and the importance measures of its elements.     

An investigation of the possible interaction mechanisms for Si(Li) and Ge detector response functions by Monte Carlo simulation

Simple physical mechanisms implemented by either analog Monte Carlo simulations or analytical models have been used to investigate the Si(Li) and Ge detector response functions for X- and gamma rays, respectively. The mechanisms investigated include the various possible combinations of partial losses of photoelectric and Auger electrons from the detector surfaces and complete losses of the various photons involved such as the Si K X-ray, the 0.511 MeV annihilation photons, and single or multiple Compton scattered photons. The most probable interaction mechanisms for each detector response function feature are identified and the simple analytical functions that have been used in the past are justified.     

导弹折叠展开机构工作可靠性的Monte Carlo模拟计算方法研究

针对导弹折叠展开机构工作可靠性计算精度较差的问题,应用力矩状态函数和功状态函数相结合的可靠性分析方法,以导弹翼面上的力矩和功作为可靠性特征变量,建立导弹折叠展开机构工作可靠性计算模型,提出了机构可靠性的Monte Carlo模拟计算方法,并对某型导弹的翼面折叠展开机构工作可靠性进行了分析计算,所得可靠度比仅仅基于力矩的计算结果提高24.34%,比仅仅基于功的计算结果提高11.74%．计算结果表明,采用所提出的方法计算得到的机构可靠度,与仅仅基于力矩或功的计算结果相比较,更接近于工程实际．     

焊接接头断裂韧度J_(ⅠC)统计分布函数的蒙特卡罗模拟

建立了用于确定焊接接头断裂韧度ＪⅠＣ统计分析函数的蒙特卡罗模拟方法。对３１６Ｌ奥氏体不锈钢焊接接头ＪⅠＣ的统计分布函数进行了统计模拟，结果表明，ＪⅠＣ的最佳拟合分布为威布尔分布。分析了样本数量对蒙特卡罗模拟结果的影响。