粒子输运蒙特卡罗模拟现状概述

蒙特卡罗(MC)方法发展已有60多年历史,广泛应用于核科学及相关领域.MC方法超强的几何处理能力,使用精密的连续点截面参数,能够模拟各种复杂几何系统内的中子、光子、电子、α粒子、质子及其耦合输运问题.随着计算机的快速发展,通过大规模并行计算,MC方法及程序已成为模拟各种粒子输运问题的首选工具.     

NJOY97版本程序用于蒙特卡罗参数的制作

蒙特卡罗(MC)法以随机游动的数值模拟为基础，来求解粒子输运这种具有随机性质的物理问题物理建模比较逼真，数学处理又比较简明易于在计算机上实现，此方法用于具有复杂材料和几何结构的系统内粒子输运问题具有独特的长处。引进NJOY97新版本(可在PC机下运行共24个功能模块)并进行调试使用，开发制作供MCNP程序配套使用MC型参数的功能，经组合装配处理，对典型核作了MC参数制作计算检验，效果良好。     

静态次临界系统α值的分析

为提高现有MC软件处理较深次临界度问题的能力，改进了‘虚产生’法对可调参数η的处理，并应用改进后的MC软件对静态次临界实验(981-2)数据作了理论分析，还同动态方法做了比较。这里所说“动态”方法，指通过MC方法直接模拟裂变系统内或泄漏中子数时间分布，用指数函数拟合源中子注人上升段后的数据的方法，相应的指数被认为是离散α本征值。在多个离散本征值中，原则上将数值最大的指数就是所谓衰减本征值，应同‘虚产生’法的结果一致，     

Fe-C合金中形变诱导动态相变的蒙特卡罗模拟

采用蒙特卡罗（MC）方法模拟了Fe-C合金在奥氏体-铁素体相变的平衡温度之上的形变诱导动态相变过程.通过建立合适的MC规则,在一个MC模型中同时实现了奥氏体-铁素体相变、铁素体-奥氏体逆相变以及奥氏体动态再结晶过程的模拟.同时,一个基于矢量变换的拓扑模型被嵌入此MC相变模型,用来跟踪由于塑性变形导致的晶粒形貌变化.在此基础上模拟分析了动态相变过程中铁素体的形成特点,讨论了由于相变、逆相变和动态再结晶交互作用所带来的影响. 关键词： 形变诱导动态相变 蒙特卡罗模型 动态再结晶 介观模拟     

描述离散系统动力学演变的Monte Carlo方法分析

通用动力学方程通过描述离散系统中颗粒尺度分布的演变过程来量化颗粒动力学演变过程,而Monte Carlo(MC)算法是求解通用动力学方程的重要方法.目前几种主流的MC算法为Liffman的直接模拟Monte Carlo算法(DSMC)、阶梯式常体积法、常数目法和多重Monte Carlo(MMC)算法.利用这些MC算法描述理想的纯凝并工况和纯破碎工况,发现:由于避免了多个动力学事件之间的解耦过程,基于事件驱动的MC算法比基于时间驱动的MC算法具有更高的计算精度和更低的计算代价;由于尽量减少对整体系统的扰动,阶梯式恢复模拟颗粒数目的MC算法比连续式恢复模拟颗粒数目的MC算法具有更高的精度;由于始终保持计算区域体积,多重Monte Carlo算法具有更友好的扩展性.     

蒙特卡罗技术在放射诊断剂量快速计算中的应用

采用蒙特卡罗（MC）技术研究放射性核素131I的放疗特性。给出了131I衰变过程的MC抽样表达式，实现了含电子和光子的混合抽样模拟。对水客体中131I衰变的MC模拟结果表明:131I能够有效地治疗甲状腺肿瘤而几乎不影响正常组织。变密度客体的MC模拟结果表明:沉积能量与面密度之间的关系与密度无关，满足卷积核自适应的要求；并且MC模拟能够提供剂量卷积核函数，为快速剂量计算提供数据。     

分子模拟预测制冷剂热物性研究

分子模拟在预测制冷剂流体热物性方面的应用发展至今已有三种方法:分子动力学(MD)和蒙特卡罗(MC)和基于量子化学的COSMO-RS法。分子模拟方法计算物质的热物性仅依赖于物质的分子性质,因而可先于试验预测其热物性质,尤其可方便地解决混合物质的热物性计算,是预测制冷工质热物性的一种精确、有效的方法。本文综合论述了采用分子模拟方法对已知、未知制冷纯工质、混合工质的汽液相平衡时饱和蒸汽压、密度、焓等参数的模拟结果。模拟结果证明,分子模拟的结果与Refprop 8.0或实验值相比较,最大相对误差在20%以内,基本能满足工程需要,因此可以用来预测制冷剂流体的热物性。     

MC模拟在随钻方位伽马成像正演中的应用

蒙特卡罗模拟是放射性测井一种重要的数值模拟方法,利用通用程序MCNP可方便地建立各种地层模型,为放射性测井研究提供了简便有效的方法。借助于蒙特卡罗方法建立随钻条件下地层模型,正演模拟随钻方位伽马成像特征。结果表明,随钻方位伽马成像图呈现正弦线特征,利用成像图可准确反演井眼相对倾角和放射性地层厚度;井眼相对倾角越大,放射性地层厚度越厚,成像图的正弦线高度值及在井轴方向上的展布高度值越大;井眼尺寸对利用成像图求取井眼相对倾角没有影响,但对计算放射性地层厚度有影响,仪器偏心对利用成像图求取井眼相对倾角和放射性地层厚度都有较大影响,若伽马计数满足测井计数统计性,可忽略井眼流体对成像图的影响。     

基于TPS和蒙特卡罗计算的12C肿瘤放射治疗In-beam PET剂量监测研究

In-beam PET成像是碳离子放射治疗剂量监测的有效手段,可以对碳离子放疗过程的物理剂量分布和生物剂量分布进行实时监测。结合放射治疗计划系统(TPS)和蒙特卡罗(MC)模拟分别对静态均匀水模体和腹部肿瘤CT图像进行治疗计划设计、MC计算和PET成像,比较TPS肿瘤靶区剂量分布、MC模拟剂量分布和PET成像三者之间的一致性。TPS和MC模拟中相对生物学效应(RBE)的计算均采用线性二次模型(LQ)。研究结果显示,TPS和MC计算的静态均匀水模体、单野治疗腹部肿瘤的物理剂量、RBE加权剂量在SOBP区域的平均误差均在0.5%和2%以内。碳离子束流能量为120~400 MeV/u时,束流方向剂量深度分布与PET成像在SOBP区域的位置差异均在8 mm以内。In-beam PET可作为碳离子放射治疗中位置验证和剂量验证的有效手段。     

低能质子回旋加速器内部束流测量探头的感生放射性

 为满足回旋加速器内部束流测量探头产生低放射性的要求,通过理论分析和蒙特卡罗模拟方法,研究了11 MeV,50 μA质子束轰击铜探头产生的感生放射性,得到各种感生放射性核素的饱和放射性活度,并对结果进行了比较。分析结果表明,采用软件FLUKA进行蒙特卡罗模拟,核反应考虑完全,可同时计算不同照射时间下的直接和间接感生放射性,计算结果准确。应用该方法,质子束轰击不同测量探头产生的感生放射性可以得到详细和准确的分析和预测。     

The Binary Cascade

The Binary Cascade introduces a novel approach towards intra-nuclear cascade calculations. Like many QMD codes, it uses a detailed 3-dimensional model of the nucleus, and is based exclusively on binary scattering between reaction participants and nucleons within this nuclear model. Like a classical cascade, it uses optical potentials to describe the time evolution of particles passing through the nuclear medium. In the present paper we introduce the model, and investigate its predictive power for hadron spectra in nucleon nuclear reactions final states.Received: 19 December 2003, Revised: 5 March 2004, Published online: 7 September 2004PACS: 21.60.Ka Nuclear structure: Monte Carlo models - 24.10.Lx Nuclear reactions: general: Monte Carlo simulations (including hadron and parton cascades and string breaking models)     

Critical exponents for nuclear multifragmentation: dynamical lattice model

We present a dynamical and dissipative lattice model, designed to mimic nuclear multifragmentation. Monte Carlo simulations with this model show a clear signature of critical behaviour and reproduce experimentally observed correlations. In particular, using techniques devised for finite systems, we could obtain two of its critical exponents, whose values are in agreement with those of the universality class to which nuclear multifragmentation is supposed to belong.     

Ground-state energy of dilute neutron matter at next-to-leading order in lattice chiral effective field theory

We present lattice calculations for the ground-state energy of dilute neutron matter at next-to-leading order in chiral effective field theory. This study follows a series of recent papers on low-energy nuclear physics using chiral effective field theory on the lattice. In this work we introduce an improved spin- and isospin-projected leading-order action which allows for a perturbative treatment of corrections at next-to-leading order and smaller estimated errors. Using auxiliary fields and Euclidean-time projection Monte Carlo, we compute the ground state of 8, 12, and 16 neutrons in a periodic cube, covering a density range from 2% to 10% of normal nuclear density.     

Monte Carlo Shell Model Mass Predictions

The nuclear mass calculation is discussed in terms of large-scale shell model calculations. First, the development and limitations of the conventional shell model calculations are mentioned. In order to overcome the limitations, the Quantum Monte Carlo Diagonalization (QMCD) method has been proposed. The basic formulation and features of the QMCD method are presented as well as its application to the nuclear shell model, referred to as Monte Carlo Shell Model (MCSM). The MCSM provides us with a breakthrough in shell model calculations: the structure of low-lying states can be studied with realistic interactions for a nearly unlimited variety of nuclei. Thus, the MCSM can contribute significantly to the study of nuclear masses. An application to N∼20 unstable nuclei far from the β-stability line is mentioned. This revised version was published online in July 2006 with corrections to the Cover Date.     

Evolution of nuclear spectra with nuclear forces

We first define a series of NN interaction models ranging from very simple to fully realistic. We then present Green's function Monte Carlo calculations of light nuclei to show how nuclear spectra evolve as the nuclear forces are made increasingly sophisticated. We find that the absence of stable five- and eight-body nuclei depends crucially on the spin, isospin, and tensor components of the nuclear force.     

Exchange monte carlo for molecular simulations with monoelectronic hamiltonians

We introduce a general Monte Carlo scheme for achieving atomistic simulations with monoelectronic Hamiltonians including the thermalization of both nuclear and electronic degrees of freedom. The kinetic Monte Carlo algorithm is used to obtain the exact occupation numbers of the electronic levels at canonical equilibrium, and comparison is made with Fermi-Dirac statistics in infinite and finite systems. The effects of a nonzero electronic temperature on the thermodynamic properties of liquid silver and sodium clusters are presented.     

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.     

Reverse Monte Carlo iterative algorithm for quantification of X-ray fluorescence analysis based on MCNP6 simulation code

Reverse Monte Carlo iterative algorithm has been developed for quantification of energy-dispersive X-ray fluorescence analysis in order to calculate the concentrations of the elementary composition in solid substances. The core of the simulation code was the MCNP6 that is a well-established and widely applied software package in the nuclear research and practice for simulation of nuclear systems or the full process of gamma- or X-ray spectrometry. The reverse Monte Carlo algorithm and the full analytical procedure was tested by quantitative XRF analysis of reference alloy samples. The atomic compositions of the reference samples were determined by reverse Monte Carlo technique and also fundamental parameter method and by spark emission atomic spectroscopy. The agreement between the results of these three analytical methods was found within the standard deviations of the major elements of the samples. The total duration of the reverse Monte Carlo numerical computation was minimized to a few minutes using the variance reduction procedures available in the MCNP6.     

非弹性核反应对质子束能量沉积的影响

提出了一种比较精确且又省时的质子穿透的解析算法,并给出了考虑核反应后50—250MeV质子在水中的能量沉积,与Monte-Carlo方法的结果进行了比较.结果表明:1)非弹性核反应对质子的能量沉积有明显的影响,特别是对较高能量的质子束入射情况;2)该方法计算效率比Monte Carlo方法高百倍以上.因此,本文方法解决了质子能量沉积计算中效率和精度之间的矛盾,有可能在质子束放射治疗中得到实际应用. 关键词： 质子能量沉积 核反应 截面