Monte Carlo study of the XY-model on Sierpinski gasket

We have performed a Monte Carlo study of the classical XY-model on two-dimensional Sierpinski gaskets (SGs) of several cluster sizes. From the dependence of the helicity modulus on the cluster size we conclude that there is no phase transition in this system at a finite temperature. This is in agreement with previous findings for the harmonic approximation to the XY-model on SG and is analogous to the absence of finite-temperature phase transition for the Ising model on fractals with a finite order of ramification.     

Monte Carlo simulations of jet quenching in heavy ion collisions

Jet quenching is one of the major discoveries of the heavy-ion program at Rhic. While there is a wealth of data from Rhic that will soon be supplemented with measurements at the Lhc, on the theoretical side the situation is less clear. A thorough understanding of jet quenching is, however, beneficial, as it is expected that medium-induced modifications of jets allow one to characterise properties of the QCD matter produced in heavy ion collisions. This talk aims at summarising the main ideas and concepts of the currently available Monte Carlo models for jet quenching.     

Guaranteeing total balance in Metropolis algorithm Monte Carlo simulations

The condition of detailed balance has long been used as a proxy for the more difficult-to-prove condition of total balance, which along with ergodicity is required to guarantee convergence of a Markov Chain Monte Carlo (MCMC) simulation to the correct probability distribution. However, some simple-to-program update schemes such as the sequential and checkerboard Metropolis algorithms are known not to satisfy detailed balance for such common systems as the Ising model.     

Fricke and polymer gel 2D dosimetry validation using Monte Carlo simulation

Complexity in modern radiotherapy treatments demands advanced dosimetry systems for quality control. These systems must have several characteristics, such as high spatial resolution, tissue equivalence, three-dimensional resolution, and dose-integrating capabilities. In this scenario, gel dosimetry has proved to be a very promising option for quality assurance. In this study, the feasibility of Fricke and polymer gel dosimeters suitably shaped in form of thin layers and optically analyzed by visible light transmission imaging has been investigated for quality assurance in external radiotherapy. Dosimeter irradiation was carried out with a 6-MV photon beam (CLINAC 600C). The analysis of the irradiated dosimeters was done using two-dimensional optical transmission images. These dosimeters were compared with a treatment plan system using Monte Carlo simulations as a reference by means of a gamma test with parameters of 1 mm and 2%. Results show very good agreement between the different dosimetric systems: in the worst-case scenario, 98% of the analyzed points meet the test quality requirements. Therefore, gel dosimetry may be considered as a potential tool for the validation of other dosimetric systems.     

Monte Carlo方法模拟非直视紫外光散射覆盖范围

针对大气中紫外光散射通信的特点, 用Monte Carlo方法对紫外光非直视(NLOS) 通信三种工作方式的覆盖范围进行分析, 建立了基于Monte Carlo方法的NLOS紫外光传输模型.利用Monte Carlo模拟方法对三种NLOS散射方式的单次和多次散射路径损耗及覆盖范围进行模拟研究, 结果表明, 多次散射和单次散射的路径损耗基本一致, NLOS(a) 类全向发送全向接收通信方式覆盖范围最小但全方位性好, NLOS(b) 类定向发送全向接收通信方式的覆盖范围较大但有一定方向性, NLOS(c) 类定向发送定向接收通信方式的覆盖范围最大但有很强的方向性.     

Monte Carlo simulation using the Fourier transform of the interatomic potential

When doing Monte Carlo simulations using continuous potentials, the evaluation of the configurational potential energy ink-space by Fourier transformation is shown to be a computationally attractive scheme for systems where the long-range interatomic interaction spans a dimension comparable to the size of the simulated system.     

Monte Carlo simulations of electron dynamics in N2/CO2 mixtures

Motivated by experimental investigations of electrical discharges in N₂/CO₂/H₂O, Monte Carlo (MC) electron dynamics simulations in atmospheric N₂/CO₂ mixtures were performed. The goal was to obtain electron energy distribution functions (EEDFs), mean free path, drift velocity, collision frequency and mean energy of electrons, rate coefficients of electron-impact reactions, ionisation and attachment coefficients, as functions of the reduced electric field strength (E/N) and of the concentration of individual gas components. The results obtained by MC simulations were fitted with polynomials of up to the 3rd order with reasonable accuracy for E/N above 80 Td. The studied parameters below 80 Td were strongly non-linear as functions of E/N. This is mostly due to the influence of elastic collisions of electrons with CO₂ molecules prevailing in CO₂-dominant mixtures for E/N < 40 Td, and vibrational excitation collisions of N₂ species prevailing in N₂-dominant mixtures for E/N from 40 to 80 Td. The effect of these electron-impact processes was specific for each of the studied parameters.     

Comparison between fixed and Gaussian steplength in Monte Carlo simulations for diffusion processes

We analyze the different degrees of accuracy of two Monte Carlo methods for the simulation of one-dimensional diffusion processes with homogeneous or spatial dependent diffusion coefficient that we assume correctly described by a differential equation. The methods analyzed correspond to fixed and Gaussian steplengths. For a homogeneous diffusion coefficient it is known that the Gaussian steplength generates exact results at fixed time steps Δt. For spatial dependent diffusion coefficients the symmetric character of the Gaussian distribution introduces an error that increases with time. As an example, we consider a diffusion coefficient with constant gradient and show that the error is not present for fixed steplength with appropriate asymmetric jump probabilities.     

A fast vectorized multispin coding algorithm for 3D Monte Carlo simulations using Kawasaki spin-exchange dynamics

A new Monte Carlo algorithm for 3D Kawasaki spin-exchange simulations and its implementation on a CDC CYBER 205 is presented. This approach is applicable to lattices with sizes between 4×4×4 and 256×L2×L3 ((L2+2)(L3+4)/465535) and periodic boundary conditions. It is adjustable to various kinetic models in which the total magnetization is conserved. Maximum speed on 10 million steps per second can be reached for 3-D Ising model with Metropolis rate.     

Permutation blocking path integral Monte Carlo simulations of degenerate electrons at finite temperature

We analyse the simulation of strongly degenerate electrons at finite temperature using the recently introduced permutation blocking path integral Monte Carlo (PB‐PIMC) method [T. Dornheim et al., New J. Phys. 17 , 073017 (2015)]. As a representative example, we consider electrons in a harmonic confinement and carry out simulations for up to P = 2000 so‐called imaginary‐time propagators – an important convergence parameter within the PIMC formalism. This allows us to study the P‐dependence of different observables of the configuration space in the Monte Carlo simulations and of the fermion sign problem. We find a surprisingly persisting effect of the permutation blocking for large P, which is explained by comparing different length scales. Finally, we touch upon the uniform electron gas in the warm dense matter regime.     

气泡幕后向散射光信号特性的蒙特卡罗方法研究

利用蒙特卡罗方法对水介质中的气泡幕的后向光散射回波信号进行了系统仿真。通过对计算结果与实验结果的比较,证明了蒙特卡罗方法的有效性。根据仿真结果,结合理论分析的方法,对气泡幕位置、厚度和接收器视场角等参数对回波信号的影响进行了分析,结果表明:回波信号出现时间与气泡幕位置存在一一对应的关系;在气泡幕的衰减系数ρσt不变的情况下,存在一个有效气泡幕厚度,当大于该厚度时,气泡幕的后向光散射回波信号基本不变;在系统各项参数不变的情况下,适当增加接收器的视场角,可有效地提高回波信号的信噪比。     

Monte Carlo方法在B样条函数分频理论中的应用

针对弹道参数的B样条表示问题,运用Monte Carlo方法对B样条函数分频理论进行仿真论证,得到B样条延拓节点的补充方法,并验证B样条函数逼近空间相容性定理的正确性.比较Monte Carlo方法和B样条分频算法的计算结果,说明分频算法合理.将该算法应用于外弹道跟踪测量数据的处理中,可以确定出表示弹道所需要的样条节点个数及样条节点序列的排布,有效减少待估参数个数.     

Monte Carlo simulations of a D-T neutron generator shielding for landmine detection

Shielding for a D–T sealed neutron generator has been designed using the MCNP5 Monte Carlo radiation transport code. The neutron generator will be used in field for the detection of explosives, landmines, drugs and other ‘threat’ materials. The optimization of the detection of buried objects was started by studying the signal-to-noise ratio for different geometric conditions.     

Monte Carlo molecular dynamics simulations for two-dimensional magnets

A combined Monte Carlo molecular dynamics simulation technique is used to study thedynamic structure factor on a square lattice for isotropic Heisenberg and planar classical ferromagnetic spin Hamiltonians.     

The Convergence of Markov Chain Monte Carlo Methods: From the Metropolis Method to Hamiltonian Monte Carlo

From its inception in the 1950s to the modern frontiers of applied statistics, Markov chain Monte Carlo has been one of the most ubiquitous and successful methods in statistical computing. The development of the method in that time has been fueled by not only increasingly difficult problems but also novel techniques adopted from physics. Here, the history of Markov chain Monte Carlo is reviewed from its inception with the Metropolis method to the contemporary state‐of‐the‐art in Hamiltonian Monte Carlo, focusing on the evolving interplay between the statistical and physical perspectives of the method.     

材料中He深度分布演化的Monte Carlo模拟研究

基于He泡生长的迁移-合并机理,用Monte Carlo方法模拟了对材料进行等温退火过程中He深度分布的演化,探讨了不同参数对这一演化的影响.研究表明:材料中He泡的初始浓度和尺寸将影响He深度分布的变化,而退火温度则对演化速率起重要作用但对最终的He深度分布影响较小;随着反应的进行,整个系统的演化是逐渐趋缓的. 关键词： He 深度分布 Monte Carlo模拟     

Transient yielding of CO2 over oxidized ruthenium surfaces: Monte Carlo simulations

We develop Monte Carlo simulations to study the catalytic oxidation of CO over a surface of ruthenium. The catalyst is exposed to a continuous flux of CO molecules and its surface is pre-covered with an amount of oxygen atoms. Recent experiments performed on this system [R. Blume, W. Christen, H. Niehus, J. Phys. Chem. B 110 (2006) 13912] have shown that three different reaction mechanisms can account for the experimental results. Two of them are based on the Langmuir-Hinshelwood mechanism, where CO molecules are adsorbed at oxygen-free defect sites before reactions take place. The third one proceeds via the Eley-Rideal mechanism, which is almost time independent, and reactions occur at non-defect sites. In our model, we consider a semi-infinite cubic lattice to mimic the surface of the catalyst and oxygen atoms are incorporated into the layers below the surface. A fraction of defects is created at the topmost layer and at the first subsurface layer. Oxygen atoms can diffuse over the surface as well as between adjacent layers of the system. We also assumed a temperature dependent reaction rate that is related to the residence time of CO at the surface. Comparisons are made between the CO₂ yielding at defect-rich and smooth surfaces as a function of temperature.     

Kinetic Monte Carlo simulations of three-dimensional self-assembled quantum dot islands

By three-dimensional kinetic Monte Carlo simulations, the effects of the temperature, the flux rate, the total coverage and the interruption time on the distribution and the number of self-assembled InAs/GaAs(001) quantum dot(QD) islands are studied, which shows that a higher temperature, a lower flux rate and a longer growth time correspond to a better island distribution. The relations between the number of islands and the temperature and the flux rate are also successfully simulated. It is observed that for the total coverage lower than 0.5 ML, the number of islands decreases with the temperature increasing and other growth parameters fixed and the number of islands increases with the flux rate increasing when the deposition is lower than 0.6 ML and the other parameters are fixed.     

Thermodynamic properties of ternary alloys from Monte Carlo simulations

Methods are presented for obtaining both the integral and partial molar energies, entropies and free energies of the components in rigid ternary substitutional alloy systems from the one Monte Carlo simulation. Tests of the methods for some model systems are presented and discussed.     

Multiple-scaling methods for Monte Carlo simulations of radiative transfer in cloudy atmosphere

Two multiple-scaling methods for Monte Carlo simulations were derived from integral radiative transfer equation for calculating radiance in cloudy atmosphere accurately and rapidly. The first one is to truncate sharp forward peaks of phase functions for each order of scattering adaptively. The truncated functions for forward peaks are approximated as quadratic functions; only one prescribed parameter is used to set maximum truncation fraction for various phase functions. The second one is to increase extinction coefficients in optically thin regions for each order scattering adaptively, which could enhance the collision chance adaptively in the regions where samples are rare. Several one-dimensional and three-dimensional cloud fields were selected to validate the methods. The numerical results demonstrate that the bias errors were below 0.2% for almost all directions except for glory direction (less than 0.4%) and the higher numerical efficiency could be achieved when quadratic functions were used. The second method could decrease radiance noise to 0.60% for cumulus and accelerate convergence in optically thin regions. In general, the main advantage of the proposed methods is that we could modify the atmospheric optical quantities adaptively for each order of scattering and sample important contribution according to the specific atmospheric conditions.