Burnup simulations of different fuel grades using the MCNPX Monte Carlo code
Directory of Open Access Journals (Sweden)
Asah-Opoku Fiifi
2014-01-01
Full Text Available Global energy problems range from the increasing cost of fuel to the unequal distribution of energy resources and the potential climate change resulting from the burning of fossil fuels. A sustainable nuclear energy would augment the current world energy supply and serve as a reliable future energy source. This research focuses on Monte Carlo simulations of pressurized water reactor systems. Three different fuel grades - mixed oxide fuel (MOX, uranium oxide fuel (UOX, and commercially enriched uranium or uranium metal (CEU - are used in this simulation and their impact on the effective multiplication factor (Keff and, hence, criticality and total radioactivity of the reactor core after fuel burnup analyzed. The effect of different clad materials on Keff is also studied. Burnup calculation results indicate a buildup of plutonium isotopes in UOX and CEU, as opposed to a decline in plutonium radioisotopes for MOX fuel burnup time. For MOX fuel, a decrease of 31.9% of the fissile plutonium isotope is observed, while for UOX and CEU, fissile plutonium isotopes increased by 82.3% and 83.8%, respectively. Keff results show zircaloy as a much more effective clad material in comparison to zirconium and stainless steel.
MCNPX Monte Carlo burnup simulations of the isotope correlation experiments in the NPP Obrigheim
Energy Technology Data Exchange (ETDEWEB)
Cao Yan, E-mail: ycao@anl.go [Nuclear Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Gohar, Yousry [Nuclear Engineering Division, Argonne National Laboratory, 9700 South Cass Avenue, Argonne, IL 60439 (United States); Broeders, Cornelis H.M. [Forschungszentrum Karlsruhe, Institute for Neutron Physics and Reactor Technology, P.O. Box 3640, 76021 Karlsruhe (Germany)
2010-10-15
This paper describes the simulation work of the Isotope Correlation Experiment (ICE) using the MCNPX Monte Carlo computer code package. The Monte Carlo simulation results are compared with the ICE-Experimental measurements for burnup up to 30 GWD/t. The comparison shows the good capabilities of the MCNPX computer code package for predicting the depletion of the uranium fuel and the buildup of the plutonium isotopes in a PWR thermal reactor. The Monte Carlo simulation results show also good agreements with the experimental data for calculating several long-lived and stable fission products. However, for the americium and curium actinides, it is difficult to judge the predication capabilities for these actinides due to the large uncertainties in the ICE-Experimental data. In the MCNPX numerical simulations, a pin cell model is utilized to simulate the fuel lattice of the nuclear power reactor. Temperature dependent libraries based on JEFF3.1 nuclear data files are utilized for the calculations. In addition, temperature dependent libraries based ENDF/B-VII nuclear data files are utilized and the obtained results are very close to the JEFF3.1 results, except for {approx}10% differences in the prediction of the minor actinide isotopes buildup.
MONTE-CARLO BURNUP CALCULATION UNCERTAINTY QUANTIFICATION AND PROPAGATION DETERMINATION
Energy Technology Data Exchange (ETDEWEB)
Nichols, T.; Sternat, M.; Charlton, W.
2011-05-08
MONTEBURNS is a Monte-Carlo depletion routine utilizing MCNP and ORIGEN 2.2. Uncertainties exist in the MCNP transport calculation, but this information is not passed to the depletion calculation in ORIGEN or saved. To quantify this transport uncertainty and determine how it propagates between burnup steps, a statistical analysis of a multiple repeated depletion runs is performed. The reactor model chosen is the Oak Ridge Research Reactor (ORR) in a single assembly, infinite lattice configuration. This model was burned for a 25.5 day cycle broken down into three steps. The output isotopics as well as effective multiplication factor (k-effective) were tabulated and histograms were created at each burnup step using the Scott Method to determine the bin width. It was expected that the gram quantities and k-effective histograms would produce normally distributed results since they were produced from a Monte-Carlo routine, but some of results do not. The standard deviation at each burnup step was consistent between fission product isotopes as expected, while the uranium isotopes created some unique results. The variation in the quantity of uranium was small enough that, from the reaction rate MCNP tally, round off error occurred producing a set of repeated results with slight variation. Statistical analyses were performed using the {chi}{sup 2} test against a normal distribution for several isotopes and the k-effective results. While the isotopes failed to reject the null hypothesis of being normally distributed, the {chi}{sup 2} statistic grew through the steps in the k-effective test. The null hypothesis was rejected in the later steps. These results suggest, for a high accuracy solution, MCNP cell material quantities less than 100 grams and greater kcode parameters are needed to minimize uncertainty propagation and minimize round off effects.
Directory of Open Access Journals (Sweden)
Kępisty Grzegorz
2015-09-01
Full Text Available In this paper, we compare the methodology of different time-step models in the context of Monte Carlo burnup calculations for nuclear reactors. We discuss the differences between staircase step model, slope model, bridge scheme and stochastic implicit Euler method proposed in literature. We focus on the spatial stability of depletion procedure and put additional emphasis on the problem of normalization of neutron source strength. Considered methodology has been implemented in our continuous energy Monte Carlo burnup code (MCB5. The burnup simulations have been performed using the simplified high temperature gas-cooled reactor (HTGR system with and without modeling of control rod withdrawal. Useful conclusions have been formulated on the basis of results.
Directory of Open Access Journals (Sweden)
MEHMET E. KORKMAZ
2014-06-01
Full Text Available In this research, we investigated the burnup characteristics and the conversion of fertile 232Th into fissile 233U in the core of a Sodium-Cooled Fast Reactor (SFR. The SFR fuel assemblies were designed for burning 232Th fuel (fuel pin 1 and 233U fuel (fuel pin 2 and include mixed minor actinide compositions. Monte Carlo simulations were performed using Serpent Code1.1.19 to compare with CRAM (Chebyshev Rational Approximation Method and TTA (Transmutation Trajectory Analysis method in the burnup calculation mode. The total heating power generated in the system was assumed to be 2000 MWth. During the reactor operation period of 600 days, the effective multiplication factor (keff was between 0.964 and 0.954 and peaking factor is 1.88867.
Energy Technology Data Exchange (ETDEWEB)
Korkmaz, Mehmet E.; Agar, Osman [Karamanoglu Mehmetbey University, Faculty of Kamil Oezdag Science, Karaman (Turkmenistan)
2014-06-15
In this research, we investigated the burnup characteristics and the conversion of fertile {sup 232}Th into fissile {sup 233}U in the core of a Sodium-Cooled Fast Reactor (SFR). The SFR fuel assemblies were designed for burning {sup 232}Th fuel (fuel pin 1) and {sup 233}U fuel (fuel pin 2) and include mixed minor actinide compositions. Monte Carlo simulations were performed using Serpent Code1.1.19 to compare with CRAM (Chebyshev Rational Approximation Method) and TTA (Transmutation Trajectory Analysis) method in the burnup calculation mode. The total heating power generated in the system was assumed to be 2000 MWth. During the reactor operation period of 600 days, the effective multiplication factor (keff) was between 0.964 and 0.954 and peaking factor is 1.88867.
Propagation of statistical and nuclear data uncertainties in Monte Carlo burn-up calculations
Energy Technology Data Exchange (ETDEWEB)
Garcia-Herranz, Nuria [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain)], E-mail: nuria@din.upm.es; Cabellos, Oscar [Departamento de Ingenieria Nuclear, Universidad Politecnica de Madrid, UPM (Spain); Sanz, Javier [Departamento de Ingenieria Energetica, Universidad Nacional de Educacion a Distancia, UNED (Spain); Juan, Jesus [Laboratorio de Estadistica, Universidad Politecnica de Madrid, UPM (Spain); Kuijper, Jim C. [NRG - Fuels, Actinides and Isotopes Group, Petten (Netherlands)
2008-04-15
Two methodologies to propagate the uncertainties on the nuclide inventory in combined Monte Carlo-spectrum and burn-up calculations are presented, based on sensitivity/uncertainty and random sampling techniques (uncertainty Monte Carlo method). Both enable the assessment of the impact of uncertainties in the nuclear data as well as uncertainties due to the statistical nature of the Monte Carlo neutron transport calculation. The methodologies are implemented in our MCNP-ACAB system, which combines the neutron transport code MCNP-4C and the inventory code ACAB. A high burn-up benchmark problem is used to test the MCNP-ACAB performance in inventory predictions, with no uncertainties. A good agreement is found with the results of other participants. This benchmark problem is also used to assess the impact of nuclear data uncertainties and statistical flux errors in high burn-up applications. A detailed calculation is performed to evaluate the effect of cross-section uncertainties in the inventory prediction, taking into account the temporal evolution of the neutron flux level and spectrum. Very large uncertainties are found at the unusually high burn-up of this exercise (800 MWd/kgHM). To compare the impact of the statistical errors in the calculated flux with respect to the cross uncertainties, a simplified problem is considered, taking a constant neutron flux level and spectrum. It is shown that, provided that the flux statistical deviations in the Monte Carlo transport calculation do not exceed a given value, the effect of the flux errors in the calculated isotopic inventory are negligible (even at very high burn-up) compared to the effect of the large cross-section uncertainties available at present in the data files.
Model biases in high-burnup fast reactor simulations
Energy Technology Data Exchange (ETDEWEB)
Touran, N.; Cheatham, J.; Petroski, R. [TerraPower LLC, 11235 S.E. 6th St, Bellevue, WA 98004 (United States)
2012-07-01
A new code system called the Advanced Reactor Modeling Interface (ARMI) has been developed that loosely couples multiscale, multiphysics nuclear reactor simulations to provide rapid, user-friendly, high-fidelity full systems analysis. Incorporating neutronic, thermal-hydraulic, safety/transient, fuel performance, core mechanical, and economic analyses, ARMI provides 'one-click' assessments of many multi-disciplined performance metrics and constraints that historically require iterations between many diverse experts. The capabilities of ARMI are implemented in this study to quantify neutronic biases of various modeling approximations typically made in fast reactor analysis at an equilibrium condition, after many repetitive shuffles. Sensitivities at equilibrium that result in very high discharge burnup are considered ( and >20% FIMA), as motivated by the development of the Traveling Wave Reactor. Model approximations discussed include homogenization, neutronic and depletion mesh resolution, thermal-hydraulic coupling, explicit control rod insertion, burnup-dependent cross sections, fission product model, burn chain truncation, and dynamic fuel performance. The sensitivities of these approximations on equilibrium discharge burnup, k{sub eff}, power density, delayed neutron fraction, and coolant temperature coefficient are discussed. (authors)
Comparison of nuclear data uncertainty propagation methodologies for PWR burn-up simulations
Diez, Carlos Javier; Hoefer, Axel; Porsch, Dieter; Cabellos, Oscar
2014-01-01
Several methodologies using different levels of approximations have been developed for propagating nuclear data uncertainties in nuclear burn-up simulations. Most methods fall into the two broad classes of Monte Carlo approaches, which are exact apart from statistical uncertainties but require additional computation time, and first order perturbation theory approaches, which are efficient for not too large numbers of considered response functions but only applicable for sufficiently small nuclear data uncertainties. Some methods neglect isotopic composition uncertainties induced by the depletion steps of the simulations, others neglect neutron flux uncertainties, and the accuracy of a given approximation is often very hard to quantify. In order to get a better sense of the impact of different approximations, this work aims to compare results obtained based on different approximate methodologies with an exact method, namely the NUDUNA Monte Carlo based approach developed by AREVA GmbH. In addition, the impact ...
Quantum Monte Carlo simulation
Wang, Yazhen
2011-01-01
Contemporary scientific studies often rely on the understanding of complex quantum systems via computer simulation. This paper initiates the statistical study of quantum simulation and proposes a Monte Carlo method for estimating analytically intractable quantities. We derive the bias and variance for the proposed Monte Carlo quantum simulation estimator and establish the asymptotic theory for the estimator. The theory is used to design a computational scheme for minimizing the mean square er...
Simulation of triton burn-up in JET plasmas
Energy Technology Data Exchange (ETDEWEB)
Loughlin, M.J.; Balet, B.; Jarvis, O.N.; Stubberfield, P.M. [Commission of the European Communities, Abingdon (United Kingdom). JET Joint Undertaking
1994-07-01
This paper presents the first triton burn-up calculations for JET plasmas using the transport code TRANSP. Four hot ion H-mode deuterium plasmas are studied. For these discharges, the 2.5 MeV emission rises rapidly and then collapses abruptly. This phenomenon is not fully understood but in each case the collapse phase is associated with a large impurity influx known as the ``carbon bloom``. The peak 14 MeV emission occurs at this time, somewhat later than that of the 2.5 MeV neutron peak. The present results give a clear indication that there are no significant departures from classical slowing down and spatial diffusion for tritons in JET plasmas. (authors). 7 refs., 3 figs., 1 tab.
Energy Technology Data Exchange (ETDEWEB)
GrandJean, C. [IPSN, Cadarache (France); Cauvin, R.; Lebuffe, C. [EDF/SCMI, Chinon (France)] [and others
1997-01-01
In the frame of the high burnup fuel studies to support a possible extension of the current discharge burnup limit, experimental programs have been undertaken, jointly by EDF and IPSN in order to study the thermal-shock behavior of high burnup fuel claddings under typical LOCA conditions. The TAGUS program used unirradiated cladding samples, bare or bearing a pre-corrosion state simulating the end-of-life state of high burnup fuel claddings: the TAGCIR program used actually irradiated cladding samples taken from high burnup rods irradiated over 5 cycles in a commercial EDF PWR and having reached a rod burnup close to 60 GWd/tU. The thermal-shock failure tests consisted in oxidizing the cladding samples under steam flow, on both inner and outer faces or on the outer face alone, and subjecting them to a final water quench. The heating was provided by an inductive furnace the power of which being regulated through monitoring of the sample surface temperature with use of a single-wave optical pyrometer. Analysis of the irradiated tests (TAGCIR series) evidenced an increased oxidation rate as compared to similar tests on unirradiated samples. Results of the quenching tests series on unirradiated and irradiated samples are plotted under the usual presentation of failure maps relative to the oxidation parameters ECR (equivalent cladding reacted) or e{sub {beta}} (thickness of the remaining beta phase layer) as a function of the oxidation temperature. Comparison of the failure limits for irradiated specimens to those for unirradiated specimens indicates a lower brittleness under two side oxidation and possibly the opposite under one-side oxidation. The tentative analysis of the oxidation and quenching tests results on irradiated samples reveals the important role played by the hydrogen charged during in-reactor corrosion on the oxidation kinetics and the failure bearing capability of the cladding under LOCA transient conditions.
Computational simulation of fuel burnup estimation for research reactors plate type
Energy Technology Data Exchange (ETDEWEB)
Santos, Nadia Rodrigues dos, E-mail: nadiasam@gmail.com [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio de Janeiro (IFRJ), Paracambi, RJ (Brazil); Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: zrlima@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)
2015-07-01
The aim of this study is to estimate the spatial fuel burnup, through computational simulation, in two research reactors plate type, loaded with dispersion fuel: the benchmark Material Test Research - International Atomic Energy Agency (MTR-IAEA) and a typical multipurpose reactor (MR). The first composed of plates with uranium oxide dispersed in aluminum (UAlx-Al) and a second composed with uranium silicide (U{sub 3}Si{sub 2}) dispersed in aluminum. To develop this work we used the deterministic code, WIMSD-5B, which performs the cell calculation solving the neutron transport equation, and the DF3DQ code, written in FORTRAN, which solves the three-dimensional neutron diffusion equation using the finite difference method. The methodology used was adequate to estimate the spatial fuel burnup , as the results was in accordance with chosen benchmark, given satisfactorily to the proposal presented in this work, even showing the possibility to be applied to other research reactors. For future work are suggested simulations with other WIMS libraries, other settings core and fuel types. Comparisons the WIMSD-5B results with programs often employed in fuel burnup calculations and also others commercial programs, are suggested too. Another proposal is to estimate the fuel burnup, taking into account the thermohydraulics parameters and the Xenon production. (author)
Proceedings of the first symposium on Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
NONE
2001-01-01
The first symposium on Monte Carlo simulation was held at Mitsubishi Research Institute, Otemachi, Tokyo, on 10th and 11st of September, 1998. This symposium was organized by Nuclear Code Research Committee at Japan Atomic Energy Research Institute. In the sessions, were presented orally 21 papers on code development, parallel calculation, reactor physics, burn-up, criticality, shielding safety, dose evaluation, nuclear fusion reactor, thermonuclear fusion plasma, nuclear transmutation, electromagnetic cascade, fuel cycle facility. Those presented papers are compiled in this proceedings. The 21 of the presented papers are indexed individually. (J.P.N.)
Proton Upset Monte Carlo Simulation
O'Neill, Patrick M.; Kouba, Coy K.; Foster, Charles C.
2009-01-01
The Proton Upset Monte Carlo Simulation (PROPSET) program calculates the frequency of on-orbit upsets in computer chips (for given orbits such as Low Earth Orbit, Lunar Orbit, and the like) from proton bombardment based on the results of heavy ion testing alone. The software simulates the bombardment of modern microelectronic components (computer chips) with high-energy (.200 MeV) protons. The nuclear interaction of the proton with the silicon of the chip is modeled and nuclear fragments from this interaction are tracked using Monte Carlo techniques to produce statistically accurate predictions.
Efficient kinetic Monte Carlo simulation
Schulze, Tim P.
2008-02-01
This paper concerns kinetic Monte Carlo (KMC) algorithms that have a single-event execution time independent of the system size. Two methods are presented—one that combines the use of inverted-list data structures with rejection Monte Carlo and a second that combines inverted lists with the Marsaglia-Norman-Cannon algorithm. The resulting algorithms apply to models with rates that are determined by the local environment but are otherwise arbitrary, time-dependent and spatially heterogeneous. While especially useful for crystal growth simulation, the algorithms are presented from the point of view that KMC is the numerical task of simulating a single realization of a Markov process, allowing application to a broad range of areas where heterogeneous random walks are the dominate simulation cost.
Metropolis Methods for Quantum Monte Carlo Simulations
Ceperley, D. M.
2003-01-01
Since its first description fifty years ago, the Metropolis Monte Carlo method has been used in a variety of different ways for the simulation of continuum quantum many-body systems. This paper will consider some of the generalizations of the Metropolis algorithm employed in quantum Monte Carlo: Variational Monte Carlo, dynamical methods for projector monte carlo ({\\it i.e.} diffusion Monte Carlo with rejection), multilevel sampling in path integral Monte Carlo, the sampling of permutations, ...
Influence of FIMA burnup on actinides concentrations in PWR reactors
Directory of Open Access Journals (Sweden)
Oettingen Mikołaj
2016-01-01
Full Text Available In the paper we present the study on the dependence of actinides concentrations in the spent nuclear fuel on FIMA burnup. The concentrations of uranium, plutonium, americium and curium isotopes obtained in numerical simulation are compared with the result of the post irradiation assay of two spent fuel samples. The samples were cut from the fuel rod irradiated during two reactor cycles in the Japanese Ohi-2 Pressurized Water Reactor. The performed comparative analysis assesses the reliability of the developed numerical set-up, especially in terms of the system normalization to the measured FIMA burnup. The numerical simulations were preformed using the burnup and radiation transport mode of the Monte Carlo Continuous Energy Burnup Code – MCB, developed at the Department of Nuclear Energy, Faculty of Energy and Fuels of AGH University of Science and Technology.
Institute of Scientific and Technical Information of China (English)
范文玎; 孙光耀; 张彬航; 陈锐; 郝丽娟
2016-01-01
燃耗计算在反应堆设计、分析研究中起着重要作用.相比于传统点燃耗算法,切比雪夫有理逼近方法(Chebyshev rational approximation method,CRAM)具有计算速度快、精度高的优点.基于超级蒙特卡罗核计算仿真软件系统SuperMC(Super Monte Carlo Simulation Program for Nuclear and Radiation Process),采用切比雪夫有理逼近方法和桶排序能量查找方法,进行了蒙特卡罗燃耗计算的初步研究与验证.通过燃料棒燃耗例题以及IAEA-ADS(International Atomic Energy Agency-Accelerator Driven Systems)国际基准题,初步验证了该燃耗计算方法的正确性,且IAEA-ADS基准题测试表明,与统一能量网格方法相比,桶排序能量查找方法在保证了计算效率的同时减少了内存开销.%Background:Burnup calculation is the key point of reactor design and analysis. It's significant to calculate the burnup situation and isotopic atom density accurately while a reactor is being designed.Purpose:Based on the Monte Carlo particle simulation code SuperMC (Super Monte Carlo Simulation Program for Nuclear and Radiation Process), this paper aimed to conduct preliminary study and verification on Monte Carlo burnup calculations. Methods:For the characteristics of accuracy, this paper adopted Chebyshev rational approximation method (CRAM) as the point-burnup algorithm. Moreover, instead of the union energy grids method, this paper adopted an energy searching method based on bucket sort algorithm, which reduced the memory overhead on the condition that the calculation efficiency is ensured.Results:By calculating the fuel rod burnup problem and the IAEA-ADS (International Atomic Energy Agency - Accelerator Driven Systems) international benchmark, the simulation results were basically consistent with Serpent and other counties' results, respectively. In addition, the bucket sort energy searching method reduced about 95% storage space compared with union energy grids method for IAEA
Quantifying the Effect of Undersampling in Monte Carlo Simulations Using SCALE
Energy Technology Data Exchange (ETDEWEB)
Perfetti, Christopher M [ORNL; Rearden, Bradley T [ORNL
2014-01-01
This study explores the effect of undersampling in Monte Carlo calculations on tally estimates and tally variance estimates for burnup credit applications. Steady-state Monte Carlo simulations were performed for models of several critical systems with varying degrees of spatial and isotopic complexity and the impact of undersampling on eigenvalue and flux estimates was examined. Using an inadequate number of particle histories in each generation was found to produce an approximately 100 pcm bias in the eigenvalue estimates, and biases that exceeded 10% in fuel pin flux estimates.
Mean field simulation for Monte Carlo integration
Del Moral, Pierre
2013-01-01
In the last three decades, there has been a dramatic increase in the use of interacting particle methods as a powerful tool in real-world applications of Monte Carlo simulation in computational physics, population biology, computer sciences, and statistical machine learning. Ideally suited to parallel and distributed computation, these advanced particle algorithms include nonlinear interacting jump diffusions; quantum, diffusion, and resampled Monte Carlo methods; Feynman-Kac particle models; genetic and evolutionary algorithms; sequential Monte Carlo methods; adaptive and interacting Marko
Monte carlo simulation for soot dynamics
Zhou, Kun
2012-01-01
A new Monte Carlo method termed Comb-like frame Monte Carlo is developed to simulate the soot dynamics. Detailed stochastic error analysis is provided. Comb-like frame Monte Carlo is coupled with the gas phase solver Chemkin II to simulate soot formation in a 1-D premixed burner stabilized flame. The simulated soot number density, volume fraction, and particle size distribution all agree well with the measurement available in literature. The origin of the bimodal distribution of particle size distribution is revealed with quantitative proof.
Lattice gauge theories and Monte Carlo simulations
Rebbi, Claudio
1983-01-01
This volume is the most up-to-date review on Lattice Gauge Theories and Monte Carlo Simulations. It consists of two parts. Part one is an introductory lecture on the lattice gauge theories in general, Monte Carlo techniques and on the results to date. Part two consists of important original papers in this field. These selected reprints involve the following: Lattice Gauge Theories, General Formalism and Expansion Techniques, Monte Carlo Simulations. Phase Structures, Observables in Pure Gauge Theories, Systems with Bosonic Matter Fields, Simulation of Systems with Fermions.
Parallel Markov chain Monte Carlo simulations.
Ren, Ruichao; Orkoulas, G
2007-06-07
With strict detailed balance, parallel Monte Carlo simulation through domain decomposition cannot be validated with conventional Markov chain theory, which describes an intrinsically serial stochastic process. In this work, the parallel version of Markov chain theory and its role in accelerating Monte Carlo simulations via cluster computing is explored. It is shown that sequential updating is the key to improving efficiency in parallel simulations through domain decomposition. A parallel scheme is proposed to reduce interprocessor communication or synchronization, which slows down parallel simulation with increasing number of processors. Parallel simulation results for the two-dimensional lattice gas model show substantial reduction of simulation time for systems of moderate and large size.
A brief introduction to Monte Carlo simulation.
Bonate, P L
2001-01-01
Simulation affects our life every day through our interactions with the automobile, airline and entertainment industries, just to name a few. The use of simulation in drug development is relatively new, but its use is increasing in relation to the speed at which modern computers run. One well known example of simulation in drug development is molecular modelling. Another use of simulation that is being seen recently in drug development is Monte Carlo simulation of clinical trials. Monte Carlo simulation differs from traditional simulation in that the model parameters are treated as stochastic or random variables, rather than as fixed values. The purpose of this paper is to provide a brief introduction to Monte Carlo simulation methods.
Institute of Scientific and Technical Information of China (English)
师学明; 杨俊云; 刘成安
2014-01-01
Z-Pinch惯性约束聚变是未来一种有竞争力的能源候选方案。Z-Pinch驱动的聚变裂变混合堆可高效地嬗变反应堆乏燃料中分离出的超铀元素。对美国Sandia国家实验室提出的In-Zinerater混合堆概念进行了中子学分析和数值模拟。在三维输运燃耗耦合程序MCORGS中增加了处理在线添加燃料与去除裂变产物的功能，实现了对液态燃料燃耗过程的模拟。增加6Li丰度和燃料初装量保持寿期初反应性不变，可以减缓寿期内反应性下降趋势。逐步增加包层内超铀元素装量，可以控制整个寿期内反应性基本恒定。聚变功率取20 MW，通过反应性控制，5年内包层能量放大倍数在160∼180之间，氚增殖比在1.5∼1.7之间，优于In-Zinerater基准设计方案。%Z-Pinch Inertial confinement fusion is a competitive candidate for future energy solution. A fusion-fission hybrid driven by Z-Pinch can be used to transmute transuranic elements from spent fuels of reactors efficiently. Analysis and numerical simulation of blanket neutronics of In-Zinerater, which is a fusion-fission hybrid concept design in Sandia National Laboratories, is given in this paper. Modification to the three dimension transport and burnup code MCORGS are done, so as to simulate continuous feeding and continuous chemical processing of the liquid fuel. Different combination of initial enrichment of 6Li and fuels loading in the blanket are selected to keep the same reactivity at begin of core. By this way, the decreasing trend of reactivity at life of the core can be lowered. The reactivity can be maintained constant by increasing the fuel loading in the core gradually as the burnup deepens. Given a 20 MW fusion power, by reactivity control, the blanket energy multiplication is around 160∼180 and tritium breed ratio 1.5∼1.7 in 5 years, which is a better result than Sandia’s original design.
Development of Burnup Calculation Function in Reactor Monte Carlo Code RMC%堆用蒙卡程序燃耗计算功能开发
Institute of Scientific and Technical Information of China (English)
佘顶; 王侃; 余纲林
2012-01-01
This paper presents the burnup calculation capability of RMC, which is a new Monte Carlo (MC) neutron transport code developed by Reactor Engineering Analysis Laboratory (REAL) in Tsinghua university of China. Unlike most of existing MC depletion codes which explicitly couple the depletion module, RMC incorporates ORIGEN 2.1 in an implicit way. Different burn step strategies, including the middle-of-step approximation and the predictor-corrector method, are adopted by RMC to assure the accuracy under large burnup step size. RMC employs a spectrum-based method of tallying one-group cross section, which can considerably saves computational time with negligible accuracy loss. According to the validation results of benchmarks and examples, it is proved that the burnup function of RMC performs quite well in accuracy and efficiency.%堆用蒙卡程序(RMC)是由清华大学工程物理系REAL实验室自主开发的用于反应堆物理分析的中子输运蒙卡程序,本文主要介绍其燃耗计算功能的开发与验证.RMC的燃耗计算功能具有的特点:内部耦合ORIGEN,相比于外耦合方式,更加灵活和高效；使用基于能谱的单群截面统计方法,可在保证精度的前提下,显著提高计算效率；采取预估修正和中点近似等多种燃耗步策略,减小大燃耗步长时的计算误差.通过计算压水堆栅元、沸水堆组件、快堆等一系列基准题和算例,验证了RMC燃耗计算的正确性和速度优势.
Adaptive Multilevel Monte Carlo Simulation
Hoel, H
2011-08-23
This work generalizes a multilevel forward Euler Monte Carlo method introduced in Michael B. Giles. (Michael Giles. Oper. Res. 56(3):607–617, 2008.) for the approximation of expected values depending on the solution to an Itô stochastic differential equation. The work (Michael Giles. Oper. Res. 56(3):607– 617, 2008.) proposed and analyzed a forward Euler multilevelMonte Carlo method based on a hierarchy of uniform time discretizations and control variates to reduce the computational effort required by a standard, single level, Forward Euler Monte Carlo method. This work introduces an adaptive hierarchy of non uniform time discretizations, generated by an adaptive algorithmintroduced in (AnnaDzougoutov et al. Raùl Tempone. Adaptive Monte Carlo algorithms for stopped diffusion. In Multiscale methods in science and engineering, volume 44 of Lect. Notes Comput. Sci. Eng., pages 59–88. Springer, Berlin, 2005; Kyoung-Sook Moon et al. Stoch. Anal. Appl. 23(3):511–558, 2005; Kyoung-Sook Moon et al. An adaptive algorithm for ordinary, stochastic and partial differential equations. In Recent advances in adaptive computation, volume 383 of Contemp. Math., pages 325–343. Amer. Math. Soc., Providence, RI, 2005.). This form of the adaptive algorithm generates stochastic, path dependent, time steps and is based on a posteriori error expansions first developed in (Anders Szepessy et al. Comm. Pure Appl. Math. 54(10):1169– 1214, 2001). Our numerical results for a stopped diffusion problem, exhibit savings in the computational cost to achieve an accuracy of ϑ(TOL),from(TOL−3), from using a single level version of the adaptive algorithm to ϑ(((TOL−1)log(TOL))2).
Simulation and the Monte Carlo method
Rubinstein, Reuven Y
2016-01-01
Simulation and the Monte Carlo Method, Third Edition reflects the latest developments in the field and presents a fully updated and comprehensive account of the major topics that have emerged in Monte Carlo simulation since the publication of the classic First Edition over more than a quarter of a century ago. While maintaining its accessible and intuitive approach, this revised edition features a wealth of up-to-date information that facilitates a deeper understanding of problem solving across a wide array of subject areas, such as engineering, statistics, computer science, mathematics, and the physical and life sciences. The book begins with a modernized introduction that addresses the basic concepts of probability, Markov processes, and convex optimization. Subsequent chapters discuss the dramatic changes that have occurred in the field of the Monte Carlo method, with coverage of many modern topics including: Markov Chain Monte Carlo, variance reduction techniques such as the transform likelihood ratio...
Benchmarking of Proton Transport in Super Monte Carlo Simulation Program
Wang, Yongfeng; Li, Gui; Song, Jing; Zheng, Huaqing; Sun, Guangyao; Hao, Lijuan; Wu, Yican
2014-06-01
The Monte Carlo (MC) method has been traditionally applied in nuclear design and analysis due to its capability of dealing with complicated geometries and multi-dimensional physics problems as well as obtaining accurate results. The Super Monte Carlo Simulation Program (SuperMC) is developed by FDS Team in China for fusion, fission, and other nuclear applications. The simulations of radiation transport, isotope burn-up, material activation, radiation dose, and biology damage could be performed using SuperMC. Complicated geometries and the whole physical process of various types of particles in broad energy scale can be well handled. Bi-directional automatic conversion between general CAD models and full-formed input files of SuperMC is supported by MCAM, which is a CAD/image-based automatic modeling program for neutronics and radiation transport simulation. Mixed visualization of dynamical 3D dataset and geometry model is supported by RVIS, which is a nuclear radiation virtual simulation and assessment system. Continuous-energy cross section data from hybrid evaluated nuclear data library HENDL are utilized to support simulation. Neutronic fixed source and critical design parameters calculates for reactors of complex geometry and material distribution based on the transport of neutron and photon have been achieved in our former version of SuperMC. Recently, the proton transport has also been intergrated in SuperMC in the energy region up to 10 GeV. The physical processes considered for proton transport include electromagnetic processes and hadronic processes. The electromagnetic processes include ionization, multiple scattering, bremsstrahlung, and pair production processes. Public evaluated data from HENDL are used in some electromagnetic processes. In hadronic physics, the Bertini intra-nuclear cascade model with exitons, preequilibrium model, nucleus explosion model, fission model, and evaporation model are incorporated to treat the intermediate energy nuclear
Monte carlo simulations of organic photovoltaics.
Groves, Chris; Greenham, Neil C
2014-01-01
Monte Carlo simulations are a valuable tool to model the generation, separation, and collection of charges in organic photovoltaics where charges move by hopping in a complex nanostructure and Coulomb interactions between charge carriers are important. We review the Monte Carlo techniques that have been applied to this problem, and describe the results of simulations of the various recombination processes that limit device performance. We show how these processes are influenced by the local physical and energetic structure of the material, providing information that is useful for design of efficient photovoltaic systems.
Monte Carlo Simulation for Particle Detectors
Pia, Maria Grazia
2012-01-01
Monte Carlo simulation is an essential component of experimental particle physics in all the phases of its life-cycle: the investigation of the physics reach of detector concepts, the design of facilities and detectors, the development and optimization of data reconstruction software, the data analysis for the production of physics results. This note briefly outlines some research topics related to Monte Carlo simulation, that are relevant to future experimental perspectives in particle physics. The focus is on physics aspects: conceptual progress beyond current particle transport schemes, the incorporation of materials science knowledge relevant to novel detection technologies, functionality to model radiation damage, the capability for multi-scale simulation, quantitative validation and uncertainty quantification to determine the predictive power of simulation. The R&D on simulation for future detectors would profit from cooperation within various components of the particle physics community, and synerg...
Monte Carlo Simulation of Counting Experiments.
Ogden, Philip M.
A computer program to perform a Monte Carlo simulation of counting experiments was written. The program was based on a mathematical derivation which started with counts in a time interval. The time interval was subdivided to form a binomial distribution with no two counts in the same subinterval. Then the number of subintervals was extended to…
Monte Carlo simulation code modernization
CERN. Geneva
2015-01-01
The continual development of sophisticated transport simulation algorithms allows increasingly accurate description of the effect of the passage of particles through matter. This modelling capability finds applications in a large spectrum of fields from medicine to astrophysics, and of course HEP. These new capabilities however come at the cost of a greater computational intensity of the new models, which has the effect of increasing the demands of computing resources. This is particularly true for HEP, where the demand for more simulation are driven by the need of both more accuracy and more precision, i.e. better models and more events. Usually HEP has relied on the "Moore's law" evolution, but since almost ten years the increase in clock speed has withered and computing capacity comes in the form of hardware architectures of many-core or accelerated processors. To harness these opportunities we need to adapt our code to concurrent programming models taking advantages of both SIMD and SIMT architectures. Th...
Energy Technology Data Exchange (ETDEWEB)
Kuroishi, Takeshi; Hoang, Anh Tuan; Nomura, Yasushi; Okuno, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2003-03-01
The reactivity effect of the asymmetry of axial burnup profile in burnup credit criticality safety is studied for a realistic PWR spent fuel transport cask proposed in the current OECD/NEA Phase II-C benchmark problem. The axial burnup profiles are simulated in 21 material zones based on in-core flux measurements varying from strong asymmetry to more or less no asymmetry. Criticality calculations in a 3-D model have been performed using the continuous energy Monte Carlo code MCNP-4B2 and the nuclear data library JENDL-3.2. Calculation conditions are determined with consideration of the axial fission source convergence. Calculations are carried out not only for cases proposed in the benchmark but also for additional cases assuming symmetric burnup profile. The actinide-only approach supposed for first domestic introduction of burnup credit into criticality evaluation is also considered in addition to the actinide plus fission product approach adopted in the benchmark. The calculated results show that k{sub eff} and the end effect increase almost linearly with increasing burnup axial offset that is defined as one of typical parameters showing the intensity of axial burnup asymmetry. The end effect is more sensitive to the asymmetry of burnup profile for the higher burnup. For an axially distributed burnup, the axial fission source distribution becomes strongly asymmetric as its peak shifts toward the top end of the fuel's active zone where the local burnup is less than that of the bottom end. The peak of fission source distribution becomes higher with the increase of either the asymmetry of burnup profile or the assembly-averaged burnup. The conservatism of the assumption of uniform axial burnup based on the actinide-only approach is estimated quantitatively in comparison with the k{sub eff} result calculated with experiment-based strongest asymmetric axial burnup profile with the actinide plus fission product approach. (author)
Energy Technology Data Exchange (ETDEWEB)
Kuroishi, Takeshi; Hoang, Anh Tuan; Nomura, Yasushi; Okuno, Hiroshi [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment
2003-03-01
The reactivity effect of the asymmetry of axial burnup profile in burnup credit criticality safety is studied for a realistic PWR spent fuel transport cask proposed in the current OECD/NEA Phase II-C benchmark problem. The axial burnup profiles are simulated in 21 material zones based on in-core flux measurements varying from strong asymmetry to more or less no asymmetry. Criticality calculations in a 3-D model have been performed using the continuous energy Monte Carlo code MCNP-4B2 and the nuclear data library JENDL-3.2. Calculation conditions are determined with consideration of the axial fission source convergence. Calculations are carried out not only for cases proposed in the benchmark but also for additional cases assuming symmetric burnup profile. The actinide-only approach supposed for first domestic introduction of burnup credit into criticality evaluation is also considered in addition to the actinide plus fission product approach adopted in the benchmark. The calculated results show that k{sub eff} and the end effect increase almost linearly with increasing burnup axial offset that is defined as one of typical parameters showing the intensity of axial burnup asymmetry. The end effect is more sensitive to the asymmetry of burnup profile for the higher burnup. For an axially distributed burnup, the axial fission source distribution becomes strongly asymmetric as its peak shifts toward the top end of the fuel's active zone where the local burnup is less than that of the bottom end. The peak of fission source distribution becomes higher with the increase of either the asymmetry of burnup profile or the assembly-averaged burnup. The conservatism of the assumption of uniform axial burnup based on the actinide-only approach is estimated quantitatively in comparison with the k{sub eff} result calculated with experiment-based strongest asymmetric axial burnup profile with the actinide plus fission product approach. (author)
Energy Technology Data Exchange (ETDEWEB)
Chersola, Davide [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Lomonaco, Guglielmo, E-mail: guglielmo.lomonaco@unige.it [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Marotta, Riccardo [GeNERG – DIME/TEC, University of Genova, via all’Opera Pia 15/a, 16145 Genova (Italy); INFN, via Dodecaneso 33, 16146 Genova (Italy); Mazzini, Guido [Centrum výzkumu Řež (Research Centre Rez), Husinec-Rez, cp. 130, 25068 Rez (Czech Republic)
2014-07-01
Highlights: • MC codes are widely adopted to analyze nuclear facilities, including GEN-IV reactors. • Burnup calculations are an efficient tool to test neutronic Monte Carlo codes. • In this comparison the used codes show some differences but a good agreement exists. - Abstract: This paper presents the comparison between two Monte Carlo based burnup codes: SERPENT and MONTEBURNS. Monte Carlo codes are fully and worldwide adopted to perform analyses on nuclear facilities, also in the frame of Generation IV advanced reactors simulations. Thus, faster and most powerful calculation codes are needed with the aim to analyze complex geometries and specific neutronic behaviors. Burnup calculations are an efficient tool to test neutronic Monte Carlo codes: indeed these calculations couple transport and depletion procedures, so that neutronic reactor behavior can be simulated in its totality. Comparisons have been performed on a configuration representing the Allegro MOX 75 MW{sub th} reactor proposed by the European GoFastR (Gas-cooled Fast Reactor) Project in the frame of the 7th Euratom Framework Program. Although in burnup and criticality comparisons the codes used in simulations show different calculation times and some differences in amounts and in precision (in term of statistical errors), a reasonably good agreement between them exists.
Energy Technology Data Exchange (ETDEWEB)
Santos, Nadia Rodrigues dos, E-mail: nadia.santos@ifrj.edu.br [Instituto Federal de Educacao, Ciencia e Tecnologia do Rio de Janeiro (IFRJ), Paracambi, RJ (Brazil); Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: malu@ien.gov.br, E-mail: zrlima@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)
2015-07-01
In previous research, which aimed, through computer simulation, estimate the spatial fuel burnup for the research reactor benchmark, material test research - International Atomic Energy Agency (MTR/IAEA), it was found that the use of the code in FORTRAN language, based on the diffusion theory of neutrons and WIMSD-5B, which makes cell calculation, bespoke be valid to estimate the spatial burnup other nuclear research reactors. That said, this paper aims to present the results of computer simulation to estimate the space fuel burnup of a typical multipurpose reactor, plate type and dispersion. the results were considered satisfactory, being in line with those presented in the literature. for future work is suggested simulations with other core configurations. are also suggested comparisons of WIMSD-5B results with programs often employed in burnup calculations and also test different methods of interpolation values obtained by FORTRAN. Another proposal is to estimate the burning fuel, taking into account the thermohydraulics parameters and the appearance of xenon. (author)
Monte Carlo simulation for the transport beamline
Energy Technology Data Exchange (ETDEWEB)
Romano, F.; Cuttone, G.; Jia, S. B.; Varisano, A. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania (Italy); Attili, A.; Marchetto, F.; Russo, G. [INFN, Sezione di Torino, Via P.Giuria, 1 10125 Torino (Italy); Cirrone, G. A. P.; Schillaci, F.; Scuderi, V. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania, Italy and Institute of Physics Czech Academy of Science, ELI-Beamlines project, Na Slovance 2, Prague (Czech Republic); Carpinelli, M. [INFN Sezione di Cagliari, c/o Dipartimento di Fisica, Università di Cagliari, Cagliari (Italy); Tramontana, A. [INFN, Laboratori Nazionali del Sud, Via Santa Sofia 62, Catania, Italy and Università di Catania, Dipartimento di Fisica e Astronomia, Via S. Sofia 64, Catania (Italy)
2013-07-26
In the framework of the ELIMED project, Monte Carlo (MC) simulations are widely used to study the physical transport of charged particles generated by laser-target interactions and to preliminarily evaluate fluence and dose distributions. An energy selection system and the experimental setup for the TARANIS laser facility in Belfast (UK) have been already simulated with the GEANT4 (GEometry ANd Tracking) MC toolkit. Preliminary results are reported here. Future developments are planned to implement a MC based 3D treatment planning in order to optimize shots number and dose delivery.
Mosaic crystal algorithm for Monte Carlo simulations
Seeger, P A
2002-01-01
An algorithm is presented for calculating reflectivity, absorption, and scattering of mosaic crystals in Monte Carlo simulations of neutron instruments. The algorithm uses multi-step transport through the crystal with an exact solution of the Darwin equations at each step. It relies on the kinematical model for Bragg reflection (with parameters adjusted to reproduce experimental data). For computation of thermal effects (the Debye-Waller factor and coherent inelastic scattering), an expansion of the Debye integral as a rapidly converging series of exponential terms is also presented. Any crystal geometry and plane orientation may be treated. The algorithm has been incorporated into the neutron instrument simulation package NISP. (orig.)
Accelerated GPU based SPECT Monte Carlo simulations
Garcia, Marie-Paule; Bert, Julien; Benoit, Didier; Bardiès, Manuel; Visvikis, Dimitris
2016-06-01
Monte Carlo (MC) modelling is widely used in the field of single photon emission computed tomography (SPECT) as it is a reliable technique to simulate very high quality scans. This technique provides very accurate modelling of the radiation transport and particle interactions in a heterogeneous medium. Various MC codes exist for nuclear medicine imaging simulations. Recently, new strategies exploiting the computing capabilities of graphical processing units (GPU) have been proposed. This work aims at evaluating the accuracy of such GPU implementation strategies in comparison to standard MC codes in the context of SPECT imaging. GATE was considered the reference MC toolkit and used to evaluate the performance of newly developed GPU Geant4-based Monte Carlo simulation (GGEMS) modules for SPECT imaging. Radioisotopes with different photon energies were used with these various CPU and GPU Geant4-based MC codes in order to assess the best strategy for each configuration. Three different isotopes were considered: 99m Tc, 111In and 131I, using a low energy high resolution (LEHR) collimator, a medium energy general purpose (MEGP) collimator and a high energy general purpose (HEGP) collimator respectively. Point source, uniform source, cylindrical phantom and anthropomorphic phantom acquisitions were simulated using a model of the GE infinia II 3/8" gamma camera. Both simulation platforms yielded a similar system sensitivity and image statistical quality for the various combinations. The overall acceleration factor between GATE and GGEMS platform derived from the same cylindrical phantom acquisition was between 18 and 27 for the different radioisotopes. Besides, a full MC simulation using an anthropomorphic phantom showed the full potential of the GGEMS platform, with a resulting acceleration factor up to 71. The good agreement with reference codes and the acceleration factors obtained support the use of GPU implementation strategies for improving computational efficiency
Accelerated GPU based SPECT Monte Carlo simulations.
Garcia, Marie-Paule; Bert, Julien; Benoit, Didier; Bardiès, Manuel; Visvikis, Dimitris
2016-06-07
Monte Carlo (MC) modelling is widely used in the field of single photon emission computed tomography (SPECT) as it is a reliable technique to simulate very high quality scans. This technique provides very accurate modelling of the radiation transport and particle interactions in a heterogeneous medium. Various MC codes exist for nuclear medicine imaging simulations. Recently, new strategies exploiting the computing capabilities of graphical processing units (GPU) have been proposed. This work aims at evaluating the accuracy of such GPU implementation strategies in comparison to standard MC codes in the context of SPECT imaging. GATE was considered the reference MC toolkit and used to evaluate the performance of newly developed GPU Geant4-based Monte Carlo simulation (GGEMS) modules for SPECT imaging. Radioisotopes with different photon energies were used with these various CPU and GPU Geant4-based MC codes in order to assess the best strategy for each configuration. Three different isotopes were considered: (99m) Tc, (111)In and (131)I, using a low energy high resolution (LEHR) collimator, a medium energy general purpose (MEGP) collimator and a high energy general purpose (HEGP) collimator respectively. Point source, uniform source, cylindrical phantom and anthropomorphic phantom acquisitions were simulated using a model of the GE infinia II 3/8" gamma camera. Both simulation platforms yielded a similar system sensitivity and image statistical quality for the various combinations. The overall acceleration factor between GATE and GGEMS platform derived from the same cylindrical phantom acquisition was between 18 and 27 for the different radioisotopes. Besides, a full MC simulation using an anthropomorphic phantom showed the full potential of the GGEMS platform, with a resulting acceleration factor up to 71. The good agreement with reference codes and the acceleration factors obtained support the use of GPU implementation strategies for improving computational
Archimedes, the Free Monte Carlo simulator
Sellier, Jean Michel D
2012-01-01
Archimedes is the GNU package for Monte Carlo simulations of electron transport in semiconductor devices. The first release appeared in 2004 and since then it has been improved with many new features like quantum corrections, magnetic fields, new materials, GUI, etc. This document represents the first attempt to have a complete manual. Many of the Physics models implemented are described and a detailed description is presented to make the user able to write his/her own input deck. Please, feel free to contact the author if you want to contribute to the project.
Cluster hybrid Monte Carlo simulation algorithms
Plascak, J. A.; Ferrenberg, Alan M.; Landau, D. P.
2002-06-01
We show that addition of Metropolis single spin flips to the Wolff cluster-flipping Monte Carlo procedure leads to a dramatic increase in performance for the spin-1/2 Ising model. We also show that adding Wolff cluster flipping to the Metropolis or heat bath algorithms in systems where just cluster flipping is not immediately obvious (such as the spin-3/2 Ising model) can substantially reduce the statistical errors of the simulations. A further advantage of these methods is that systematic errors introduced by the use of imperfect random-number generation may be largely healed by hybridizing single spin flips with cluster flipping.
Development of numerical models for Monte Carlo simulations of Th-Pb fuel assembly
Directory of Open Access Journals (Sweden)
Oettingen Mikołaj
2017-01-01
Full Text Available The thorium-uranium fuel cycle is a promising alternative against uranium-plutonium fuel cycle, but it demands many advanced research before starting its industrial application in commercial nuclear reactors. The paper presents the development of the thorium-lead (Th-Pb fuel assembly numerical models for the integral irradiation experiments. The Th-Pb assembly consists of a hexagonal array of ThO2 fuel rods and metallic Pb rods. The design of the assembly allows different combinations of rods for various types of irradiations and experimental measurements. The numerical model of the Th-Pb assembly was designed for the numerical simulations with the continuous energy Monte Carlo Burnup code (MCB implemented on the supercomputer Prometheus of the Academic Computer Centre Cyfronet AGH.
Probabilistic fire simulator - Monte Carlo simulation tool for fire scenarios
Energy Technology Data Exchange (ETDEWEB)
Hostikka, S.; Keski-Rahkonen, O. [VTT Building and Transport, Espoo (Finland)
2002-11-01
Risk analysis tool is developed for computing of the distributions of fire model output variables. The tool, called Probabilistic Fire Simulator, combines Monte Carlo simulation and CFAST two-zone fire model. In this work, it is used to calculate failure probability of redundant cables and fire detector activation times in a cable tunnel fire. Sensitivity of the output variables to the input variables is calculated in terms of the rank order correlations. (orig.)
Atomistic Monte Carlo simulation of lipid membranes
DEFF Research Database (Denmark)
Wüstner, Daniel; Sklenar, Heinz
2014-01-01
, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential......Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction...... into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches...
Atomistic Monte Carlo simulation of lipid membranes
DEFF Research Database (Denmark)
Wüstner, Daniel; Sklenar, Heinz
2014-01-01
Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction......, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential...... of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol....
Modeling neutron guides using Monte Carlo simulations
Wang, D Q; Crow, M L; Wang, X L; Lee, W T; Hubbard, C R
2002-01-01
Four neutron guide geometries, straight, converging, diverging and curved, were characterized using Monte Carlo ray-tracing simulations. The main areas of interest are the transmission of the guides at various neutron energies and the intrinsic time-of-flight (TOF) peak broadening. Use of a delta-function time pulse from a uniform Lambert neutron source allows one to quantitatively simulate the effect of guides' geometry on the TOF peak broadening. With a converging guide, the intensity and the beam divergence increases while the TOF peak width decreases compared with that of a straight guide. By contrast, use of a diverging guide decreases the intensity and the beam divergence, and broadens the width (in TOF) of the transmitted neutron pulse.
Monte Carlo Simulations of the Photospheric Process
Santana, Rodolfo; Hernandez, Roberto A; Kumar, Pawan
2015-01-01
We present a Monte Carlo (MC) code we wrote to simulate the photospheric process and to study the photospheric spectrum above the peak energy. Our simulations were performed with a photon to electron ratio $N_{\\gamma}/N_{e} = 10^{5}$, as determined by observations of the GRB prompt emission. We searched an exhaustive parameter space to determine if the photospheric process can match the observed high-energy spectrum of the prompt emission. If we do not consider electron re-heating, we determined that the best conditions to produce the observed high-energy spectrum are low photon temperatures and high optical depths. However, for these simulations, the spectrum peaks at an energy below 300 keV by a factor $\\sim 10$. For the cases we consider with higher photon temperatures and lower optical depths, we demonstrate that additional energy in the electrons is required to produce a power-law spectrum above the peak-energy. By considering electron re-heating near the photosphere, the spectrum for these simulations h...
Parallel Monte Carlo Simulation of Aerosol Dynamics
Directory of Open Access Journals (Sweden)
Kun Zhou
2014-02-01
Full Text Available A highly efficient Monte Carlo (MC algorithm is developed for the numerical simulation of aerosol dynamics, that is, nucleation, surface growth, and coagulation. Nucleation and surface growth are handled with deterministic means, while coagulation is simulated with a stochastic method (Marcus-Lushnikov stochastic process. Operator splitting techniques are used to synthesize the deterministic and stochastic parts in the algorithm. The algorithm is parallelized using the Message Passing Interface (MPI. The parallel computing efficiency is investigated through numerical examples. Near 60% parallel efficiency is achieved for the maximum testing case with 3.7 million MC particles running on 93 parallel computing nodes. The algorithm is verified through simulating various testing cases and comparing the simulation results with available analytical and/or other numerical solutions. Generally, it is found that only small number (hundreds or thousands of MC particles is necessary to accurately predict the aerosol particle number density, volume fraction, and so forth, that is, low order moments of the Particle Size Distribution (PSD function. Accurately predicting the high order moments of the PSD needs to dramatically increase the number of MC particles.
Parallel Monte Carlo simulation of aerosol dynamics
Zhou, K.
2014-01-01
A highly efficient Monte Carlo (MC) algorithm is developed for the numerical simulation of aerosol dynamics, that is, nucleation, surface growth, and coagulation. Nucleation and surface growth are handled with deterministic means, while coagulation is simulated with a stochastic method (Marcus-Lushnikov stochastic process). Operator splitting techniques are used to synthesize the deterministic and stochastic parts in the algorithm. The algorithm is parallelized using the Message Passing Interface (MPI). The parallel computing efficiency is investigated through numerical examples. Near 60% parallel efficiency is achieved for the maximum testing case with 3.7 million MC particles running on 93 parallel computing nodes. The algorithm is verified through simulating various testing cases and comparing the simulation results with available analytical and/or other numerical solutions. Generally, it is found that only small number (hundreds or thousands) of MC particles is necessary to accurately predict the aerosol particle number density, volume fraction, and so forth, that is, low order moments of the Particle Size Distribution (PSD) function. Accurately predicting the high order moments of the PSD needs to dramatically increase the number of MC particles. 2014 Kun Zhou et al.
Monte Carlo simulation of neutron scattering instruments
Energy Technology Data Exchange (ETDEWEB)
Seeger, P.A.; Daemen, L.L.; Hjelm, R.P. Jr.
1998-12-01
A code package consisting of the Monte Carlo Library MCLIB, the executing code MC{_}RUN, the web application MC{_}Web, and various ancillary codes is proposed as an open standard for simulation of neutron scattering instruments. The architecture of the package includes structures to define surfaces, regions, and optical elements contained in regions. A particle is defined by its vector position and velocity, its time of flight, its mass and charge, and a polarization vector. The MC{_}RUN code handles neutron transport and bookkeeping, while the action on the neutron within any region is computed using algorithms that may be deterministic, probabilistic, or a combination. Complete versatility is possible because the existing library may be supplemented by any procedures a user is able to code. Some examples are shown.
Fensin, Michael Lorne
Monte Carlo-linked depletion methods have gained recent interest due to the ability to more accurately model complex 3-dimesional geometries and better track the evolution of temporal nuclide inventory by simulating the actual physical process utilizing continuous energy coefficients. The integration of CINDER90 into the MCNPX Monte Carlo radiation transport code provides a high-fidelity completely self-contained Monte-Carlo-linked depletion capability in a well established, widely accepted Monte Carlo radiation transport code that is compatible with most nuclear criticality (KCODE) particle tracking features in MCNPX. MCNPX depletion tracks all necessary reaction rates and follows as many isotopes as cross section data permits in order to achieve a highly accurate temporal nuclide inventory solution. This work chronicles relevant nuclear history, surveys current methodologies of depletion theory, details the methodology in applied MCNPX and provides benchmark results for three independent OECD/NEA benchmarks. Relevant nuclear history, from the Oklo reactor two billion years ago to the current major United States nuclear fuel cycle development programs, is addressed in order to supply the motivation for the development of this technology. A survey of current reaction rate and temporal nuclide inventory techniques is then provided to offer justification for the depletion strategy applied within MCNPX. The MCNPX depletion strategy is then dissected and each code feature is detailed chronicling the methodology development from the original linking of MONTEBURNS and MCNP to the most recent public release of the integrated capability (MCNPX 2.6.F). Calculation results of the OECD/NEA Phase IB benchmark, H. B. Robinson benchmark and OECD/NEA Phase IVB are then provided. The acceptable results of these calculations offer sufficient confidence in the predictive capability of the MCNPX depletion method. This capability sets up a significant foundation, in a well established
Atomistic Monte Carlo simulation of lipid membranes.
Wüstner, Daniel; Sklenar, Heinz
2014-01-24
Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC) simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches. We use our recently devised chain breakage/closure (CBC) local move set in the bond-/torsion angle space with the constant-bond-length approximation (CBLA) for the phospholipid dipalmitoylphosphatidylcholine (DPPC). We demonstrate rapid conformational equilibration for a single DPPC molecule, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol.
Atomistic Monte Carlo Simulation of Lipid Membranes
Directory of Open Access Journals (Sweden)
Daniel Wüstner
2014-01-01
Full Text Available Biological membranes are complex assemblies of many different molecules of which analysis demands a variety of experimental and computational approaches. In this article, we explain challenges and advantages of atomistic Monte Carlo (MC simulation of lipid membranes. We provide an introduction into the various move sets that are implemented in current MC methods for efficient conformational sampling of lipids and other molecules. In the second part, we demonstrate for a concrete example, how an atomistic local-move set can be implemented for MC simulations of phospholipid monomers and bilayer patches. We use our recently devised chain breakage/closure (CBC local move set in the bond-/torsion angle space with the constant-bond-length approximation (CBLA for the phospholipid dipalmitoylphosphatidylcholine (DPPC. We demonstrate rapid conformational equilibration for a single DPPC molecule, as assessed by calculation of molecular energies and entropies. We also show transition from a crystalline-like to a fluid DPPC bilayer by the CBC local-move MC method, as indicated by the electron density profile, head group orientation, area per lipid, and whole-lipid displacements. We discuss the potential of local-move MC methods in combination with molecular dynamics simulations, for example, for studying multi-component lipid membranes containing cholesterol.
Monte Carlo Simulations: Number of Iterations and Accuracy
2015-07-01
Jessica Schultheis for her editorial review. vi INTENTIONALLY LEFT BLANK. 1 1. Introduction Monte Carlo (MC) methods1 are often used...ARL-TN-0684 ● JULY 2015 US Army Research Laboratory Monte Carlo Simulations: Number of Iterations and Accuracy by William...needed. Do not return it to the originator. ARL-TN-0684 ● JULY 2015 US Army Research Laboratory Monte Carlo Simulations: Number
Institute of Scientific and Technical Information of China (English)
武祥; 若夕子; 于涛; 谢金森; 陈昊威
2014-01-01
TRITON couples multi group Monte Carlo Transport code KENO V. a and point-burnup code ORIGEN-S. It features adaptability on complex geometries,flexible processing ability on cross section and rapid calculating speed. Based on the thorium-based fuel cell benchmark of Idaho National Laboratory ( INL) ,the verification on TRITON burnup calcu-lation was performed,which showed good coincidence with the result of MOCUP code by INL. Furthermore, the results of burnup isotopes selection schemes in TRITON showed that,for thorium based fuel,only important nuclides on Th-U cycle was included,correct results can be obtained by TRITON. Conclusions in the present paper will support further applications of TRITON.%TRITON程序系统耦合了多群蒙特卡罗输运程序KENO V. a与点燃耗程序ORIGEN-S,具有几何适应性强、截面处理能力灵活、计算速度快等显著特点.本文基于爱达荷国家实验室( INL)钍基燃料元件燃耗基准题,开展了TRITON程序燃耗功能的验证,结果与INL采用MOCUP程序给出的结果吻合很好.同时,燃耗核素选取对TRITON计算结果的影响分析表明对于钍基燃料,只有在考虑Th-U循环重要核素的前提下,TRITON才能给出正确结果.上述结论为TRITON程序的应用奠定了基础.
QUANTUM MONTE-CARLO SIMULATIONS - ALGORITHMS, LIMITATIONS AND APPLICATIONS
DERAEDT, H
1992-01-01
A survey is given of Quantum Monte Carlo methods currently used to simulate quantum lattice models. The formalisms employed to construct the simulation algorithms are sketched. The origin of fundamental (minus sign) problems which limit the applicability of the Quantum Monte Carlo approach is shown
Quantum Monte Carlo Simulations : Algorithms, Limitations and Applications
Raedt, H. De
1992-01-01
A survey is given of Quantum Monte Carlo methods currently used to simulate quantum lattice models. The formalisms employed to construct the simulation algorithms are sketched. The origin of fundamental (minus sign) problems which limit the applicability of the Quantum Monte Carlo approach is shown
Sensitivity of Monte Carlo simulations to input distributions
Energy Technology Data Exchange (ETDEWEB)
RamoRao, B. S.; Srikanta Mishra, S.; McNeish, J.; Andrews, R. W.
2001-07-01
The sensitivity of the results of a Monte Carlo simulation to the shapes and moments of the probability distributions of the input variables is studied. An economical computational scheme is presented as an alternative to the replicate Monte Carlo simulations and is explained with an illustrative example. (Author) 4 refs.
Rare event simulation using Monte Carlo methods
Rubino, Gerardo
2009-01-01
In a probabilistic model, a rare event is an event with a very small probability of occurrence. The forecasting of rare events is a formidable task but is important in many areas. For instance a catastrophic failure in a transport system or in a nuclear power plant, the failure of an information processing system in a bank, or in the communication network of a group of banks, leading to financial losses. Being able to evaluate the probability of rare events is therefore a critical issue. Monte Carlo Methods, the simulation of corresponding models, are used to analyze rare events. This book sets out to present the mathematical tools available for the efficient simulation of rare events. Importance sampling and splitting are presented along with an exposition of how to apply these tools to a variety of fields ranging from performance and dependability evaluation of complex systems, typically in computer science or in telecommunications, to chemical reaction analysis in biology or particle transport in physics. ...
Monte Carlo simulations of Protein Adsorption
Sharma, Sumit; Kumar, Sanat K.; Belfort, Georges
2008-03-01
Amyloidogenic diseases, such as, Alzheimer's are caused by adsorption and aggregation of partially unfolded proteins. Adsorption of proteins is a concern in design of biomedical devices, such as dialysis membranes. Protein adsorption is often accompanied by conformational rearrangements in protein molecules. Such conformational rearrangements are thought to affect many properties of adsorbed protein molecules such as their adhesion strength to the surface, biological activity, and aggregation tendency. It has been experimentally shown that many naturally occurring proteins, upon adsorption to hydrophobic surfaces, undergo a helix to sheet or random coil secondary structural rearrangement. However, to better understand the equilibrium structural complexities of this phenomenon, we have performed Monte Carlo (MC) simulations of adsorption of a four helix bundle, modeled as a lattice protein, and studied the adsorption behavior and equilibrium protein conformations at different temperatures and degrees of surface hydrophobicity. To study the free energy and entropic effects on adsorption, Canonical ensemble MC simulations have been combined with Weighted Histogram Analysis Method(WHAM). Conformational transitions of proteins on surfaces will be discussed as a function of surface hydrophobicity and compared to analogous bulk transitions.
Monte Carlo simulations for focusing elliptical guides
Energy Technology Data Exchange (ETDEWEB)
Valicu, Roxana [FRM2 Garching, Muenchen (Germany); Boeni, Peter [E20, TU Muenchen (Germany)
2009-07-01
The aim of the Monte Carlo simulations using McStas Programme was to improve the focusing of the neutron beam existing at PGAA (FRM II) by prolongation of the existing elliptic guide (coated now with supermirrors with m=3) with a new part. First we have tried with an initial length of the additional guide of 7,5cm and coatings for the neutron guide of supermirrors with m=4,5 and 6. The gain (calculated by dividing the intensity in the focal point after adding the guide by the intensity at the focal point with the initial guide) obtained for this coatings indicated that a coating with m=5 would be appropriate for a first trial. The next step was to vary the length of the additional guide for this m value and therefore choosing the appropriate length for the maximal gain. With the m value and the length of the guide fixed we have introduced an aperture 1 cm before the focal point and we have varied the radius of this aperture in order to obtain a focused beam. We have observed a dramatic decrease in the size of the beam in the focal point after introducing this aperture. The simulation results, the gains obtained and the evolution of the beam size will be presented.
New burnup calculation of TRIGA IPR-R1 reactor
Energy Technology Data Exchange (ETDEWEB)
Meireles, Sincler P. de; Campolina, Daniel de A.M.; Santos, Andre A. Campagnole dos; Menezes, Maria A.B.C.; Mesquita, Amir Z., E-mail: sinclercdtn@hotmail.com.br [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN/CNEN-MG), Belo Horizonte, MG (Brazil)
2015-07-01
The IPR-R1 TRIGA Mark I research reactor, located at the Nuclear Technology Development Center - CDTN, Belo Horizonte, Brazil, operates since 1960.The reactor is operating for more than fifty years and has a long history of operation. Determining the current composition of the fuel is very important to calculate various parameters. The reactor burnup calculation has been performed before, however, new techniques, methods, software and increase of the processing capacity of the new computers motivates new investigations to be performed. This work presents the evolution of effective multiplication constant and the results of burnup. This new model has a more detailed geometry with the introduction of the new devices, like the control rods and the samarium discs. This increase of materials in the simulation in burnup calculation was very important for results. For these series of simulations a more recently cross section library, ENDF/B-VII, was used. To perform the calculations two Monte Carlo particle transport code were used: Serpent and MCNPX. The results obtained from two codes are presented and compared with previous studies in the literature. (author)
Zhao, Zhongxiang
Modular Pebble Bed Reactor (MPBR) is a high temperature gas-cooled nuclear power reactor. This project investigated the feasibility of using the passive neutron counting and active neutron/gamma counting for the on line fuel burnup measurement for MPBR. To investigate whether there is a correlation between neutron emission and fuel burnup, the MPBR fuel depletion was simulated under different irradiation conditions by ORIGEN2. It was found that the neutron emission from an irradiated pebble increases with burnup super-linearly and reaches to 104 neutron/sec/pebble at the discharge burnup. The photon emission from an irradiated pebble was found to be in the order of 1013 photon/sec/pebble at all burnup levels. Analysis shows that the neutron emission rate of an irradiated pebble is sensitive to its burnup history and the spectral-averaged one-group cross sections used in the depletion calculations, which consequently leads to large uncertainty in the correlation between neutron emission and burnup. At low burnup levels, the uncertainty in the neutron emission/burnup correlation is too high and the neutron emission rate is too low so that it is impossible to determine a pebble's burnup by on-line neutron counting at low burnup levels. At high burnup levels, the uncertainty in the neutron emission rate becomes less but is still large in quantity. However, considering the super-linear feature of the correlation, the uncertainty in burnup determination was found to be ˜7% at the discharge burnup, which is acceptable. Therefore, total neutron emission rate of a pebble can be used as a burnup indicator to determine whether a pebble should be discharged or not. The feasibility of using passive neutron counting methods for the on-line burnup measurement was investigated by using a general Monte Carlo code, MCNP, to assess the detectability of the neutron emission and the capability to discriminate gamma noise by commonly used neutron detectors. It was found that both He-3
Analysis of high burnup fuel safety issues
Energy Technology Data Exchange (ETDEWEB)
Lee, Chan Bock; Kim, D. H.; Bang, J. G.; Kim, Y. M.; Yang, Y. S.; Jung, Y. H.; Jeong, Y. H.; Nam, C.; Baik, J. H.; Song, K. W.; Kim, K. S
2000-12-01
Safety issues in steady state and transient behavior of high burnup LWR fuel above 50 - 60 MWD/kgU were analyzed. Effects of burnup extension upon fuel performance parameters was reviewed, and validity of both the fuel safety criteria and the performance analysis models which were based upon the lower burnup fuel test results was analyzed. It was found that further tests would be necessary in such areas as fuel failure and dispersion for RIA, and high temperature cladding corrosion and mechanical deformation for LOCA. Since domestic fuels have been irradiated in PWR up to burnup higher than 55 MWD/kgU-rod. avg., it can be said that Korea is in the same situation as the other countries in the high burnup fuel safety issues. Therefore, necessary research areas to be performed in Korea were derived. Considering that post-irradiation examination(PIE) for the domestic fuel of burnup higher than 30 MWD/kgU has not been done so far at all, it is primarily necessary to perform PIE for high burnup fuel, and then simulation tests for RIA and LOCA could be performed by using high burnup fuel specimens. For the areas which can not be performed in Korea, international cooperation will be helpful to obtain the test results. With those data base, safety of high burnup domestic fuels will be confirmed, current fuel safety criteria will be re-evaluated, and finally transient high burnup fuel behavior analysis technology will be developed through the fuel performance analysis code development.
Monte Carlo simulations for heavy ion dosimetry
Energy Technology Data Exchange (ETDEWEB)
Geithner, O.
2006-07-26
Water-to-air stopping power ratio (s{sub w,air}) calculations for the ionization chamber dosimetry of clinically relevant ion beams with initial energies from 50 to 450 MeV/u have been performed using the Monte Carlo technique. To simulate the transport of a particle in water the computer code SHIELD-HIT v2 was used which is a substantially modified version of its predecessor SHIELD-HIT v1. The code was partially rewritten, replacing formerly used single precision variables with double precision variables. The lowest particle transport specific energy was decreased from 1 MeV/u down to 10 keV/u by modifying the Bethe- Bloch formula, thus widening its range for medical dosimetry applications. Optional MSTAR and ICRU-73 stopping power data were included. The fragmentation model was verified using all available experimental data and some parameters were adjusted. The present code version shows excellent agreement with experimental data. Additional to the calculations of stopping power ratios, s{sub w,air}, the influence of fragments and I-values on s{sub w,air} for carbon ion beams was investigated. The value of s{sub w,air} deviates as much as 2.3% at the Bragg peak from the recommended by TRS-398 constant value of 1.130 for an energy of 50 MeV/u. (orig.)
Monte Carlo simulations of the NIMROD diffractometer
Energy Technology Data Exchange (ETDEWEB)
Botti, A. [University of Roma TRE, Rome (Italy)]. E-mail: botti@fis.uniroma3.it; Ricci, M.A. [University of Roma TRE, Rome (Italy); Bowron, D.T. [ISIS-Rutherford Appleton Laboratory, Chilton (United Kingdom); Soper, A.K. [ISIS-Rutherford Appleton Laboratory, Chilton (United Kingdom)
2006-11-15
The near and intermediate range order diffractometer (NIMROD) has been selected as a day one instrument on the second target station at ISIS. Uniquely, NIMROD will provide continuous access to particle separations ranging from the interatomic (<1A) to the mesoscopic (<300A). This instrument is mainly designed for structural investigations, although the possibility of putting a Fermi chopper (and corresponding NIMONIC chopper) in the incident beam line, will potentially allow the performance of low resolution inelastic scattering measurements. The performance characteristics of the TOF diffractometer have been simulated by means of a series of Monte Carlo calculations. In particular, the flux as a function of the transferred momentum Q as well as the resolution in Q and transferred energy have been estimated. Moreover, the possibility of including a honeycomb collimator in order to achieve better resolution has been tested. Here, we want to present the design of this diffractometer that will bridge the gap between wide- and small-angle neutron scattering experiments.
Monte Carlo Simulation of River Meander Modelling
Posner, A. J.; Duan, J. G.
2010-12-01
This study first compares the first order analytical solutions for flow field by Ikeda et. al. (1981) and Johanesson and Parker (1989b). Ikeda et. al.’s (1981) linear bank erosion model was implemented to predict the rate of bank erosion in which the bank erosion coefficient is treated as a stochastic variable that varies with physical properties of the bank (e.g. cohesiveness, stratigraphy, vegetation density). The developed model was used to predict the evolution of meandering planforms. Then, the modeling results were analyzed and compared to the observed data. Since the migration of meandering channel consists of downstream translation, lateral expansion, and downstream or upstream rotations. Several measures are formulated in order to determine which of the resulting planform is closest to the experimental measured one. Results from the deterministic model highly depend on the calibrated erosion coefficient. Since field measurements are always limited, the stochastic model yielded more realistic predictions of meandering planform evolutions. Due to the random nature of bank erosion coefficient, the meandering planform evolution is a stochastic process that can only be accurately predicted by a stochastic model. Quasi-2D Ikeda (1989) flow solution with Monte Carlo Simulation of Bank Erosion Coefficient.
Teague, Melissa C.; Fromm, Bradley S.; Tonks, Michael R.; Field, David P.
2014-12-01
Nuclear energy is a mature technology with a small carbon footprint. However, work is needed to make current reactor technology more accident tolerant and to allow reactor fuel to be burned in a reactor for longer periods of time. Optimizing the reactor fuel performance is essentially a materials science problem. The current understanding of fuel microstructure have been limited by the difficulty in studying the structure and chemistry of irradiated fuel samples at the mesoscale. Here, we take advantage of recent advances in experimental capabilities to characterize the microstructure in 3D of irradiated mixed oxide (MOX) fuel taken from two radial positions in the fuel pellet. We also reconstruct these microstructures using Idaho National Laboratory's MARMOT code and calculate the impact of microstructure heterogeneities on the effective thermal conductivity using mesoscale heat conduction simulations. The thermal conductivities of both samples are higher than the bulk MOX thermal conductivity because of the formation of metallic precipitates and because we do not currently consider phonon scattering due to defects smaller than the experimental resolution. We also used the results to investigate the accuracy of simple thermal conductivity approximations and equations to convert 2D thermal conductivities to 3D. It was found that these approximations struggle to predict the complex thermal transport interactions between metal precipitates and voids.
Validation of Compton Scattering Monte Carlo Simulation Models
Weidenspointner, Georg; Hauf, Steffen; Hoff, Gabriela; Kuster, Markus; Pia, Maria Grazia; Saracco, Paolo
2014-01-01
Several models for the Monte Carlo simulation of Compton scattering on electrons are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. Some of these models are currently implemented in general purpose Monte Carlo systems; some have been implemented and evaluated for possible use in Monte Carlo particle transport for the first time in this study. Here we present first and preliminary results concerning total and differential Compton scattering cross sections.
MONTE CARLO SIMULATION OF CHARGED PARTICLE IN AN ELECTRONEGATIVE PLASMA
Directory of Open Access Journals (Sweden)
L SETTAOUTI
2003-12-01
Full Text Available Interest in radio frequency (rf discharges has grown tremendously in recent years due to their importance in microelectronic technologies. Especially interesting are the properties of discharges in electronegative gases which are most frequently used for technological applications. Monte Carlo simulation have become increasingly important as a simulation tool particularly in the area of plasma physics. In this work, we present some detailed properties of rf plasmas obtained by Monte Carlo simulation code, in SF6
Coherent Scattering Imaging Monte Carlo Simulation
Hassan, Laila Abdulgalil Rafik
Conventional mammography has poor contrast between healthy and cancerous tissues due to the small difference in attenuation properties. Coherent scatter potentially provides more information because interference of coherently scattered radiation depends on the average intermolecular spacing, and can be used to characterize tissue types. However, typical coherent scatter analysis techniques are not compatible with rapid low dose screening techniques. Coherent scatter slot scan imaging is a novel imaging technique which provides new information with higher contrast. In this work a simulation of coherent scatter was performed for slot scan imaging to assess its performance and provide system optimization. In coherent scatter imaging, the coherent scatter is exploited using a conventional slot scan mammography system with anti-scatter grids tilted at the characteristic angle of cancerous tissues. A Monte Carlo simulation was used to simulate the coherent scatter imaging. System optimization was performed across several parameters, including source voltage, tilt angle, grid distances, grid ratio, and shielding geometry. The contrast increased as the grid tilt angle increased beyond the characteristic angle for the modeled carcinoma. A grid tilt angle of 16 degrees yielded the highest contrast and signal to noise ratio (SNR). Also, contrast increased as the source voltage increased. Increasing grid ratio improved contrast at the expense of decreasing SNR. A grid ratio of 10:1 was sufficient to give a good contrast without reducing the intensity to a noise level. The optimal source to sample distance was determined to be such that the source should be located at the focal distance of the grid. A carcinoma lump of 0.5x0.5x0.5 cm3 in size was detectable which is reasonable considering the high noise due to the usage of relatively small number of incident photons for computational reasons. A further study is needed to study the effect of breast density and breast thickness
Forest canopy BRDF simulation using Monte Carlo method
Huang, J.; Wu, B.; Zeng, Y.; Tian, Y.
2006-01-01
Monte Carlo method is a random statistic method, which has been widely used to simulate the Bidirectional Reflectance Distribution Function (BRDF) of vegetation canopy in the field of visible remote sensing. The random process between photons and forest canopy was designed using Monte Carlo method.
Forest canopy BRDF simulation using Monte Carlo method
Huang, J.; Wu, B.; Zeng, Y.; Tian, Y.
2006-01-01
Monte Carlo method is a random statistic method, which has been widely used to simulate the Bidirectional Reflectance Distribution Function (BRDF) of vegetation canopy in the field of visible remote sensing. The random process between photons and forest canopy was designed using Monte Carlo method.
Monte Carlo simulations for plasma physics
Energy Technology Data Exchange (ETDEWEB)
Okamoto, M.; Murakami, S.; Nakajima, N.; Wang, W.X. [National Inst. for Fusion Science, Toki, Gifu (Japan)
2000-07-01
Plasma behaviours are very complicated and the analyses are generally difficult. However, when the collisional processes play an important role in the plasma behaviour, the Monte Carlo method is often employed as a useful tool. For examples, in neutral particle injection heating (NBI heating), electron or ion cyclotron heating, and alpha heating, Coulomb collisions slow down high energetic particles and pitch angle scatter them. These processes are often studied by the Monte Carlo technique and good agreements can be obtained with the experimental results. Recently, Monte Carlo Method has been developed to study fast particle transports associated with heating and generating the radial electric field. Further it is applied to investigating the neoclassical transport in the plasma with steep gradients of density and temperatures which is beyong the conventional neoclassical theory. In this report, we briefly summarize the researches done by the present authors utilizing the Monte Carlo method. (author)
Monte Carlo simulation of large electron fields
Faddegon, Bruce A.; Perl, Joseph; Asai, Makoto
2008-03-01
Two Monte Carlo systems, EGSnrc and Geant4, the latter with two different 'physics lists,' were used to calculate dose distributions in large electron fields used in radiotherapy. Source and geometry parameters were adjusted to match calculated results to measurement. Both codes were capable of accurately reproducing the measured dose distributions of the six electron beams available on the accelerator. Depth penetration matched the average measured with a diode and parallel-plate chamber to 0.04 cm or better. Calculated depth dose curves agreed to 2% with diode measurements in the build-up region, although for the lower beam energies there was a discrepancy of up to 5% in this region when calculated results are compared to parallel-plate measurements. Dose profiles at the depth of maximum dose matched to 2-3% in the central 25 cm of the field, corresponding to the field size of the largest applicator. A 4% match was obtained outside the central region. The discrepancy observed in the bremsstrahlung tail in published results that used EGS4 is no longer evident. Simulations with the different codes and physics lists used different source energies, incident beam angles, thicknesses of the primary foils, and distance between the primary and secondary foil. The true source and geometry parameters were not known with sufficient accuracy to determine which parameter set, including the energy of the source, was closest to the truth. These results underscore the requirement for experimental benchmarks of depth penetration and electron scatter for beam energies and foils relevant to radiotherapy.
Public Infrastructure for Monte Carlo Simulation: publicMC@BATAN
Waskita, A A; Akbar, Z; Handoko, L T; 10.1063/1.3462759
2010-01-01
The first cluster-based public computing for Monte Carlo simulation in Indonesia is introduced. The system has been developed to enable public to perform Monte Carlo simulation on a parallel computer through an integrated and user friendly dynamic web interface. The beta version, so called publicMC@BATAN, has been released and implemented for internal users at the National Nuclear Energy Agency (BATAN). In this paper the concept and architecture of publicMC@BATAN are presented.
Monte Carlo simulation of neutron scattering instruments
Energy Technology Data Exchange (ETDEWEB)
Seeger, P.A.
1995-12-31
A library of Monte Carlo subroutines has been developed for the purpose of design of neutron scattering instruments. Using small-angle scattering as an example, the philosophy and structure of the library are described and the programs are used to compare instruments at continuous wave (CW) and long-pulse spallation source (LPSS) neutron facilities. The Monte Carlo results give a count-rate gain of a factor between 2 and 4 using time-of-flight analysis. This is comparable to scaling arguments based on the ratio of wavelength bandwidth to resolution width.
Determining MTF of digital detector system with Monte Carlo simulation
Jeong, Eun Seon; Lee, Hyung Won; Nam, Sang Hee
2005-04-01
We have designed a detector based on a-Se(amorphous Selenium) and done simulation the detector with Monte Carlo method. We will apply the cascaded linear system theory to determine the MTF for whole detector system. For direct comparison with experiment, we have simulated 139um pixel pitch and used simulated X-ray tube spectrum.
Díez, A; Largo, J; Solana, J R
2006-08-21
Computer simulations have been performed for fluids with van der Waals potential, that is, hard spheres with attractive inverse power tails, to determine the equation of state and the excess energy. On the other hand, the first- and second-order perturbative contributions to the energy and the zero- and first-order perturbative contributions to the compressibility factor have been determined too from Monte Carlo simulations performed on the reference hard-sphere system. The aim was to test the reliability of this "exact" perturbation theory. It has been found that the results obtained from the Monte Carlo perturbation theory for these two thermodynamic properties agree well with the direct Monte Carlo simulations. Moreover, it has been found that results from the Barker-Henderson [J. Chem. Phys. 47, 2856 (1967)] perturbation theory are in good agreement with those from the exact perturbation theory.
Stochastic simulation and Monte-Carlo methods; Simulation stochastique et methodes de Monte-Carlo
Energy Technology Data Exchange (ETDEWEB)
Graham, C. [Centre National de la Recherche Scientifique (CNRS), 91 - Gif-sur-Yvette (France); Ecole Polytechnique, 91 - Palaiseau (France); Talay, D. [Institut National de Recherche en Informatique et en Automatique (INRIA), 78 - Le Chesnay (France); Ecole Polytechnique, 91 - Palaiseau (France)
2011-07-01
This book presents some numerical probabilistic methods of simulation with their convergence speed. It combines mathematical precision and numerical developments, each proposed method belonging to a precise theoretical context developed in a rigorous and self-sufficient manner. After some recalls about the big numbers law and the basics of probabilistic simulation, the authors introduce the martingales and their main properties. Then, they develop a chapter on non-asymptotic estimations of Monte-Carlo method errors. This chapter gives a recall of the central limit theorem and precises its convergence speed. It introduces the Log-Sobolev and concentration inequalities, about which the study has greatly developed during the last years. This chapter ends with some variance reduction techniques. In order to demonstrate in a rigorous way the simulation results of stochastic processes, the authors introduce the basic notions of probabilities and of stochastic calculus, in particular the essential basics of Ito calculus, adapted to each numerical method proposed. They successively study the construction and important properties of the Poisson process, of the jump and deterministic Markov processes (linked to transport equations), and of the solutions of stochastic differential equations. Numerical methods are then developed and the convergence speed results of algorithms are rigorously demonstrated. In passing, the authors describe the probabilistic interpretation basics of the parabolic partial derivative equations. Non-trivial applications to real applied problems are also developed. (J.S.)
Monte Carlo simulations on SIMD computer architectures
Energy Technology Data Exchange (ETDEWEB)
Burmester, C.P.; Gronsky, R. [Lawrence Berkeley Lab., CA (United States); Wille, L.T. [Florida Atlantic Univ., Boca Raton, FL (United States). Dept. of Physics
1992-03-01
Algorithmic considerations regarding the implementation of various materials science applications of the Monte Carlo technique to single instruction multiple data (SMM) computer architectures are presented. In particular, implementation of the Ising model with nearest, next nearest, and long range screened Coulomb interactions on the SIMD architecture MasPar MP-1 (DEC mpp-12000) series of massively parallel computers is demonstrated. Methods of code development which optimize processor array use and minimize inter-processor communication are presented including lattice partitioning and the use of processor array spanning tree structures for data reduction. Both geometric and algorithmic parallel approaches are utilized. Benchmarks in terms of Monte Carlo updates per second for the MasPar architecture are presented and compared to values reported in the literature from comparable studies on other architectures.
Inhomogeneous Monte Carlo simulations of dermoscopic spectroscopy
Gareau, Daniel S.; Li, Ting; Jacques, Steven; Krueger, James
2012-03-01
Clinical skin-lesion diagnosis uses dermoscopy: 10X epiluminescence microscopy. Skin appearance ranges from black to white with shades of blue, red, gray and orange. Color is an important diagnostic criteria for diseases including melanoma. Melanin and blood content and distribution impact the diffuse spectral remittance (300-1000nm). Skin layers: immersion medium, stratum corneum, spinous epidermis, basal epidermis and dermis as well as laterally asymmetric features (eg. melanocytic invasion) were modeled in an inhomogeneous Monte Carlo model.
Monte-Carlo simulation-based statistical modeling
Chen, John
2017-01-01
This book brings together expert researchers engaged in Monte-Carlo simulation-based statistical modeling, offering them a forum to present and discuss recent issues in methodological development as well as public health applications. It is divided into three parts, with the first providing an overview of Monte-Carlo techniques, the second focusing on missing data Monte-Carlo methods, and the third addressing Bayesian and general statistical modeling using Monte-Carlo simulations. The data and computer programs used here will also be made publicly available, allowing readers to replicate the model development and data analysis presented in each chapter, and to readily apply them in their own research. Featuring highly topical content, the book has the potential to impact model development and data analyses across a wide spectrum of fields, and to spark further research in this direction.
Monte Carlo Simulation of Optical Properties of Wake Bubbles
Institute of Scientific and Technical Information of China (English)
CAO Jing; WANG Jiang-An; JIANG Xing-Zhou; SHI Sheng-Wei
2007-01-01
Based on Mie scattering theory and the theory of multiple light scattering, the light scattering properties of air bubbles in a wake are analysed by Monte Carlo simulation. The results show that backscattering is enhanced obviously due to the existence of bubbles, especially with the increase of bubble density, and that it is feasible to use the Monte Carlo method to study the properties of light scattering by air bubbles.
LCG MCDB - a Knowledgebase of Monte Carlo Simulated Events
Belov, S; Galkin, E; Gusev, A; Pokorski, Witold; Sherstnev, A V
2008-01-01
In this paper we report on LCG Monte Carlo Data Base (MCDB) and software which has been developed to operate MCDB. The main purpose of the LCG MCDB project is to provide a storage and documentation system for sophisticated event samples simulated for the LHC collaborations by experts. In many cases, the modern Monte Carlo simulation of physical processes requires expert knowledge in Monte Carlo generators or significant amount of CPU time to produce the events. MCDB is a knowledgebase mainly to accumulate simulated events of this type. The main motivation behind LCG MCDB is to make the sophisticated MC event samples available for various physical groups. All the data from MCDB is accessible in several convenient ways. LCG MCDB is being developed within the CERN LCG Application Area Simulation project.
Accuracy Analysis of Assembly Success Rate with Monte Carlo Simulations
Institute of Scientific and Technical Information of China (English)
仲昕; 杨汝清; 周兵
2003-01-01
Monte Carlo simulation was applied to Assembly Success Rate (ASR) analyses.ASR of two peg-in-hole robot assemblies was used as an example by taking component parts' sizes,manufacturing tolerances and robot repeatability into account.A statistic arithmetic expression was proposed and deduced in this paper,which offers an alternative method of estimating the accuracy of ASR,without having to repeat the simulations.This statistic method also helps to choose a suitable sample size,if error reduction is desired.Monte Carlo simulation results demonstrated the feasibility of the method.
Direct determination of liquid phase coexistence by Monte Carlo simulations
Zweistra, H.J.A.; Besseling, N.A.M.
2006-01-01
A formalism to determine coexistence points by means of Monte Carlo simulations is presented. The general idea of the method is to perform a simulation simultaneously in several unconnected boxes which can exchange particles. At equilibrium, most of the boxes will be occupied by a homogeneous phase.
Research of Monte Carlo Simulation in Commercial Bank Risk Management
Institute of Scientific and Technical Information of China (English)
BeimingXiao
2004-01-01
Simulation method is an important-tool in financial risk management. It can simulate financial variable or economic wriable and deal with non-linear or non-nominal issue. This paper analyzes the usage of "Monte Carlo" approach in commercial bank risk management.
Direct Monte Carlo simulation of nanoscale mixed gas bearings
Directory of Open Access Journals (Sweden)
Kyaw Sett Myo
2015-06-01
Full Text Available The conception of sealed hard drives with helium gas mixture has been recently suggested over the current hard drives for achieving higher reliability and less position error. Therefore, it is important to understand the effects of different helium gas mixtures on the slider bearing characteristics in the head–disk interface. In this article, the helium/air and helium/argon gas mixtures are applied as the working fluids and their effects on the bearing characteristics are studied using the direct simulation Monte Carlo method. Based on direct simulation Monte Carlo simulations, the physical properties of these gas mixtures such as mean free path and dynamic viscosity are achieved and compared with those obtained from theoretical models. It is observed that both results are comparable. Using these gas mixture properties, the bearing pressure distributions are calculated under different fractions of helium with conventional molecular gas lubrication models. The outcomes reveal that the molecular gas lubrication results could have relatively good agreement with those of direct simulation Monte Carlo simulations, especially for pure air, helium, or argon gas cases. For gas mixtures, the bearing pressures predicted by molecular gas lubrication model are slightly larger than those from direct simulation Monte Carlo simulation.
Monte Carlo Simulation in Statistical Physics An Introduction
Binder, Kurt
2010-01-01
Monte Carlo Simulation in Statistical Physics deals with the computer simulation of many-body systems in condensed-matter physics and related fields of physics, chemistry and beyond, to traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, probability distributions are calculated, allowing the estimation of the thermodynamic properties of various systems. This book describes the theoretical background to several variants of these Monte Carlo methods and gives a systematic presentation from which newcomers can learn to perform such simulations and to analyze their results. The fifth edition covers Classical as well as Quantum Monte Carlo methods. Furthermore a new chapter on the sampling of free-energy landscapes has been added. To help students in their work a special web server has been installed to host programs and discussion groups (http://wwwcp.tphys.uni-heidelberg.de). Prof. Binder was awarded the Berni J. Alder CECAM Award for Computational Physics 2001 as well ...
Monte Carlo simulation of electron slowing down in indium
Energy Technology Data Exchange (ETDEWEB)
Rouabah, Z.; Hannachi, M. [Materials and Electronic Systems Laboratory (LMSE), University of Bordj Bou Arreridj, Bordj Bou Arreridj (Algeria); Champion, C. [Université de Bordeaux 1, CNRS/IN2P3, Centre d’Etudes Nucléaires de Bordeaux-Gradignan, (CENBG), Gradignan (France); Bouarissa, N., E-mail: n_bouarissa@yahoo.fr [Laboratory of Materials Physics and its Applications, University of M' sila, 28000 M' sila (Algeria)
2015-07-15
Highlights: • Electron scattering in indium targets. • Modeling of elastic cross-sections. • Monte Carlo simulation of low energy electrons. - Abstract: In the current study, we aim at simulating via a detailed Monte Carlo code, the electron penetration in a semi-infinite indium medium for incident energies ranging from 0.5 to 5 keV. Electron range, backscattering coefficients, mean penetration depths as well as stopping profiles are then reported. The results may be seen as the first predictions for low-energy electron penetration in indium target.
Utilising Monte Carlo Simulation for the Valuation of Mining Concessions
Directory of Open Access Journals (Sweden)
Rosli Said
2005-12-01
Full Text Available Valuation involves the analyses of various input data to produce an estimated value. Since each input is itself often an estimate, there is an element of uncertainty in the input. This leads to uncertainty in the resultant output value. It is argued that a valuation must also convey information on the uncertainty, so as to be more meaningful and informative to the user. The Monte Carlo simulation technique can generate the information on uncertainty and is therefore potentially useful to valuation. This paper reports on the investigation that has been conducted to apply Monte Carlo simulation technique in mineral valuation, more specifically, in the valuation of a quarry concession.
THE APPLICATION OF MONTE CARLO SIMULATION FOR A DECISION PROBLEM
Directory of Open Access Journals (Sweden)
Çiğdem ALABAŞ
2001-01-01
Full Text Available The ultimate goal of the standard decision tree approach is to calculate the expected value of a selected performance measure. In the real-world situations, the decision problems become very complex as the uncertainty factors increase. In such cases, decision analysis using standard decision tree approach is not useful. One way of overcoming this difficulty is the Monte Carlo simulation. In this study, a Monte Carlo simulation model is developed for a complex problem and statistical analysis is performed to make the best decision.
Monte Carlo simulation of electrons in dense gases
Tattersall, Wade; Boyle, Greg; Cocks, Daniel; Buckman, Stephen; White, Ron
2014-10-01
We implement a Monte-Carlo simulation modelling the transport of electrons and positrons in dense gases and liquids, by using a dynamic structure factor that allows us to construct structure-modified effective cross sections. These account for the coherent effects caused by interactions with the relatively dense medium. The dynamic structure factor also allows us to model thermal gases in the same manner, without needing to directly sample the velocities of the neutral particles. We present the results of a series of Monte Carlo simulations that verify and apply this new technique, and make comparisons with macroscopic predictions and Boltzmann equation solutions. Financial support of the Australian Research Council.
Guideline of Monte Carlo calculation. Neutron/gamma ray transport simulation by Monte Carlo method
2002-01-01
This report condenses basic theories and advanced applications of neutron/gamma ray transport calculations in many fields of nuclear energy research. Chapters 1 through 5 treat historical progress of Monte Carlo methods, general issues of variance reduction technique, cross section libraries used in continuous energy Monte Carlo codes. In chapter 6, the following issues are discussed: fusion benchmark experiments, design of ITER, experiment analyses of fast critical assembly, core analyses of JMTR, simulation of pulsed neutron experiment, core analyses of HTTR, duct streaming calculations, bulk shielding calculations, neutron/gamma ray transport calculations of the Hiroshima atomic bomb. Chapters 8 and 9 treat function enhancements of MCNP and MVP codes, and a parallel processing of Monte Carlo calculation, respectively. An important references are attached at the end of this report.
Burnup calculations for the HOMER-15 and SAFE-300 reactors
Amiri, Benjamin W.; Poston, David I.
2002-01-01
The Heatpipe Power System (HPS) is a near-term low-cost space fission power system. As the U-235 fuel of the HPS is burned, higher actinides and fission products will be produced. This will cause changes in system reactivity, radioactivity, and decay power. One potential concern is that gaseous fission products may exert excessive pressure on the fuel pin cladding. To evaluate these issues, simulations were run in MONTEBURNS. MONTEBURNS is an automated tool that links the Monte Carlo transport code MCNP with the radioactive decay and burnup code ORIGEN2. This paper describes the results of these simulations, as well as how those results compare with the current experimental database of irradiated materials. .
Monte Carlo simulation of quantum statistical lattice models
Raedt, Hans De; Lagendijk, Ad
1985-01-01
In this article we review recent developments in computational methods for quantum statistical lattice problems. We begin by giving the necessary mathematical basis, the generalized Trotter formula, and discuss the computational tools, exact summations and Monte Carlo simulation, that will be used t
Monte Carlo Simulation of Partially Confined Flexible Polymers
Hermsen, G.F.; de Geeter, B.A.; van der Vegt, N.F.A.; Wessling, Matthias
2002-01-01
We have studied conformational properties of flexible polymers partially confined to narrow pores of different size using configurational biased Monte Carlo simulations under athermal conditions. The asphericity of the chain has been studied as a function of its center of mass position along the por
Monte Carlo simulation of magnetic nanostructured thin films
Institute of Scientific and Technical Information of China (English)
Guan Zhi-Qiang; Yutaka Abe; Jiang Dong-Hua; Lin Hai; Yoshitake Yamazakia; Wu Chen-Xu
2004-01-01
@@ Using Monte Carlo simulation, we have compared the magnetic properties between nanostructured thin films and two-dimensional crystalline solids. The dependence of nanostructured properties on the interaction between particles that constitute the nanostructured thin films is also studied. The result shows that the parameters in the interaction potential have an important effect on the properties of nanostructured thin films at the transition temperatures.
Quantum Monte Carlo simulation of topological phase transitions
Yamamoto, Arata; Kimura, Taro
2016-12-01
We study the electron-electron interaction effects on topological phase transitions by the ab initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.
Monte Carlo Simulation Optimizing Design of Grid Ionization Chamber
Institute of Scientific and Technical Information of China (English)
ZHENG; Yu-lai; WANG; Qiang; YANG; Lu
2013-01-01
The grid ionization chamber detector is often used for measuring charged particles.Based on Monte Carlo simulation method,the energy loss distribution and electron ion pairs of alpha particle with different energy have been calculated to determine suitable filling gas in the ionization chamber filled with
Testing Dependent Correlations with Nonoverlapping Variables: A Monte Carlo Simulation
Silver, N. Clayton; Hittner, James B.; May, Kim
2004-01-01
The authors conducted a Monte Carlo simulation of 4 test statistics or comparing dependent correlations with no variables in common. Empirical Type 1 error rates and power estimates were determined for K. Pearson and L. N. G. Filon's (1898) z, O. J. Dunn and V. A. Clark's (1969) z, J. H. Steiger's (1980) original modification of Dunn and Clark's…
Play It Again: Teaching Statistics with Monte Carlo Simulation
Sigal, Matthew J.; Chalmers, R. Philip
2016-01-01
Monte Carlo simulations (MCSs) provide important information about statistical phenomena that would be impossible to assess otherwise. This article introduces MCS methods and their applications to research and statistical pedagogy using a novel software package for the R Project for Statistical Computing constructed to lessen the often steep…
Simulating Strongly Correlated Electron Systems with Hybrid Monte Carlo
Institute of Scientific and Technical Information of China (English)
LIU Chuan
2000-01-01
Using the path integral representation, the Hubbard and the periodic Anderson model on D-dimensional cubic lattice are transformed into field theories of fermions in D + 1 dimensions. These theories at half-filling possess a positive definite real symmetry fermion matrix and can be simulated using the hybrid Monte Carlo method.
Quantum Monte Carlo simulation of topological phase transitions
Yamamoto, Arata
2016-01-01
We study the electron-electron interaction effects on topological phase transitions by the ab-initio quantum Monte Carlo simulation. We analyze two-dimensional class A topological insulators and three-dimensional Weyl semimetals with the long-range Coulomb interaction. The direct computation of the Chern number shows the electron-electron interaction modifies or extinguishes topological phase transitions.
Monte Carlo Simulation on Glueball Search at BESⅢ
Institute of Scientific and Technical Information of China (English)
QIN Hu; SHEN Xiao-Yan
2007-01-01
The J/ψ radiative decays are suggested as promising modes for glueball search. A full Monte Carlo simulation of J/ψ→γηη and γηη', based on the design of BESⅢ detector, is performed to study the sensitivity of searching for a possible tensor glueball at BESⅢ.
Monte Carlo Simulation of Partially Confined Flexible Polymers
Hermsen, G.F.; de Geeter, B.A.; van der Vegt, N.F.A.; Wessling, Matthias
2002-01-01
We have studied conformational properties of flexible polymers partially confined to narrow pores of different size using configurational biased Monte Carlo simulations under athermal conditions. The asphericity of the chain has been studied as a function of its center of mass position along the
Implementation of Monte Carlo Simulations for the Gamma Knife System
Energy Technology Data Exchange (ETDEWEB)
Xiong, W [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Huang, D [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Lee, L [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Feng, J [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Morris, K [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Calugaru, E [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Burman, C [Memorial Sloan-Kettering Cancer Center/Mercy Medical Center, 1000 N Village Ave., Rockville Centre, NY 11570 (United States); Li, J [Fox Chase Cancer Center, 333 Cottman Ave., Philadelphia, PA 17111 (United States); Ma, C-M [Fox Chase Cancer Center, 333 Cottman Ave., Philadelphia, PA 17111 (United States)
2007-06-15
Currently the Gamma Knife system is accompanied with a treatment planning system, Leksell GammaPlan (LGP) which is a standard, computer-based treatment planning system for Gamma Knife radiosurgery. In LGP, the dose calculation algorithm does not consider the scatter dose contributions and the inhomogeneity effect due to the skull and air cavities. To improve the dose calculation accuracy, Monte Carlo simulations have been implemented for the Gamma Knife planning system. In this work, the 201 Cobalt-60 sources in the Gamma Knife unit are considered to have the same activity. Each Cobalt-60 source is contained in a cylindric stainless steel capsule. The particle phase space information is stored in four beam data files, which are collected in the inner sides of the 4 treatment helmets, after the Cobalt beam passes through the stationary and helmet collimators. Patient geometries are rebuilt from patient CT data. Twenty two Patients are included in the Monte Carlo simulation for this study. The dose is calculated using Monte Carlo in both homogenous and inhomogeneous geometries with identical beam parameters. To investigate the attenuation effect of the skull bone the dose in a 16cm diameter spherical QA phantom is measured with and without a 1.5mm Lead-covering and also simulated using Monte Carlo. The dose ratios with and without the 1.5mm Lead-covering are 89.8% based on measurements and 89.2% according to Monte Carlo for a 18mm-collimator Helmet. For patient geometries, the Monte Carlo results show that although the relative isodose lines remain almost the same with and without inhomogeneity corrections, the difference in the absolute dose is clinically significant. The average inhomogeneity correction is (3.9 {+-} 0.90) % for the 22 patients investigated. These results suggest that the inhomogeneity effect should be considered in the dose calculation for Gamma Knife treatment planning.
Monte Carlo Simulation of Argon in Nano-Space
Institute of Scientific and Technical Information of China (English)
CHEN Min; YANG Chun; GUO Zeng-Yuan
2000-01-01
Monte Carlo simulations are performed to investigate the thermodynamic properties of argon confined in nano-scale cubes constructed of graphite walls. A remarkable depression of the system pressures is observed. The simulations reveal that the length-scale of the cube, the magnitude of the interaction between the fluid and the graphite wall and the density of the fluid exhibit reasonable effects on the thermodynamic property shifts of the luid.
Monte Carlo simulation of photon migration path in turbid media
Institute of Scientific and Technical Information of China (English)
无
2008-01-01
A new method of Monte Carlo simulation is developed to simulate the photon migration path in a scattering medium after an ultrashort-pulse laser beam comes into the medium.The most probable trajectory of photons at an instant can be obtained with this method.How the photon migration paths are affected by the optical parameters of the scattering medium is analyzed.It is also concluded that the absorption coefficient has no effect on the most probable trajectory of photons.
Assessing Excel VBA Suitability for Monte Carlo Simulation
2015-01-01
Monte Carlo (MC) simulation includes a wide range of stochastic techniques used to quantitatively evaluate the behavior of complex systems or processes. Microsoft Excel spreadsheets with Visual Basic for Applications (VBA) software is, arguably, the most commonly employed general purpose tool for MC simulation. Despite the popularity of the Excel in many industries and educational institutions, it has been repeatedly criticized for its flaws and often described as questionable, if not complet...
Fission source sampling in coupled Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Olsen, Boerge; Dufek, Jan [KTH Royal Inst. of Technology, Stockholm (Sweden). Div. of Nuclear Research Technology
2017-05-15
We study fission source sampling methods suitable for the iterative way of solving coupled Monte Carlo neutronics problems. Specifically, we address the question as to how the initial Monte Carlo fission source should be optimally sampled at the beginning of each iteration step. We compare numerically two approaches of sampling the initial fission source; the tested techniques are derived from well-known methods for iterating the neutron flux in coupled simulations. The first technique samples the initial fission source using the source from the previous iteration step, while the other technique uses a combination of all previous steps for this purpose. We observe that the previous-step approach performs the best.
Cosmological Markov Chain Monte Carlo simulation with Cmbeasy
Müller, C M
2004-01-01
We introduce a Markov Chain Monte Carlo simulation and data analysis package for the cosmological computation package Cmbeasy. We have taken special care in implementing an adaptive step algorithm for the Markov Chain Monte Carlo in order to improve convergence. Data analysis routines are provided which allow to test models of the Universe against up-to-date measurements of the Cosmic Microwave Background, Supernovae Ia and Large Scale Structure. The observational data is provided with the software for convenient usage. The package is publicly available as part of the Cmbeasy software at www.cmbeasy.org.
Baräo, Fernando; Nakagawa, Masayuki; Távora, Luis; Vaz, Pedro
2001-01-01
This book focusses on the state of the art of Monte Carlo methods in radiation physics and particle transport simulation and applications, the latter involving in particular, the use and development of electron--gamma, neutron--gamma and hadronic codes. Besides the basic theory and the methods employed, special attention is paid to algorithm development for modeling, and the analysis of experiments and measurements in a variety of fields ranging from particle to medical physics.
Monte Carlo simulation of laser attenuation characteristics in fog
Wang, Hong-Xia; Sun, Chao; Zhu, You-zhang; Sun, Hong-hui; Li, Pan-shi
2011-06-01
Based on the Mie scattering theory and the gamma size distribution model, the scattering extinction parameter of spherical fog-drop is calculated. For the transmission attenuation of the laser in the fog, a Monte Carlo simulation model is established, and the impact of attenuation ratio on visibility and field angle is computed and analysed using the program developed by MATLAB language. The results of the Monte Carlo method in this paper are compared with the results of single scattering method. The results show that the influence of multiple scattering need to be considered when the visibility is low, and single scattering calculations have larger errors. The phenomenon of multiple scattering can be interpreted more better when the Monte Carlo is used to calculate the attenuation ratio of the laser transmitting in the fog.
Meaningful timescales from Monte Carlo simulations of molecular systems
Costa, Liborio I
2016-01-01
A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems with atomistic detail is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is associated with minima in the energy landscape, in the proposed method, the state of the system is associated with the set of paths traveled by the atoms and the transition probabilities for an atom to be displaced are proportional to the corresponding velocities. In this way, the number of possible state-to-state transitions is reduced to a discrete set, and a direct link between the Monte Carlo time step and true physical time is naturally established. The resulting rejection-free algorithm is validated against event-driven molecular dynamics: the equilibrium and non-equilibrium dynamics of hard disks converge to the exact results with decreasing displacement size.
Monte Carlo simulation of quantum Zeno effect in the brain
Georgiev, Danko
2014-01-01
Environmental decoherence appears to be the biggest obstacle for successful construction of quantum mind theories. Nevertheless, the quantum physicist Henry Stapp promoted the view that the mind could utilize quantum Zeno effect to influence brain dynamics and that the efficacy of such mental efforts would not be undermined by environmental decoherence of the brain. To address the physical plausibility of Stapp's claim, we modeled the brain using quantum tunneling of an electron in a multiple-well structure such as the voltage sensor in neuronal ion channels and performed Monte Carlo simulations of quantum Zeno effect exerted by the mind upon the brain in the presence or absence of environmental decoherence. The simulations unambiguously showed that the quantum Zeno effect breaks down for timescales greater than the brain decoherence time. To generalize the Monte Carlo simulation results for any n-level quantum system, we further analyzed the change of brain entropy due to the mind probing actions and proved ...
Monte Carlo Simulations of Neutron Oil well Logging Tools
Azcurra, M
2002-01-01
Monte Carlo simulations of simple neutron oil well logging tools into typical geological formations are presented.The simulated tools consist of both 14 MeV pulsed and continuous Am-Be neutron sources with time gated and continuous gamma ray detectors respectively.The geological formation consists of pure limestone with 15% absolute porosity in a wide range of oil saturation.The particle transport was performed with the Monte Carlo N-Particle Transport Code System, MCNP-4B.Several gamma ray spectra were obtained at the detector position that allow to perform composition analysis of the formation.In particular, the ratio C/O was analyzed as an indicator of oil saturation.Further calculations are proposed to simulate actual detector responses in order to contribute to understand the relation between the detector response with the formation composition
Energy Technology Data Exchange (ETDEWEB)
Kim, Woong Ki; Kim, S. S.; Park, G. I.; Lee, Jae W.; Cho, K. H.; Lee, D. Y.; Lee, Y. S.; Lee, J. W.; Yang, M. S.; Shin, W. C
2004-09-01
To study the fabrication characteristics of dry recycling nuclear fuel using spent PWR fuel with high burnup of 60,000 MWd/tU, the fission products of spent PWR fuel was analyzed by ORIGEN-2 code. Simulated spent PWR fuel pellets were fabricated by using UO{sub 2} powder added by the simulated fission products. The simulated dry-recycling-fuel pellets were fabricated by dry recycling fuel fabrication flow including 3 cycle treated OREOX(Oxidation and REduction of OXide fuel) process. A small amount of dopant such as TiO{sub 2}, Nb{sub 2}O{sub 5}, Li{sub 2}O are added to increase sinterability of the OREOX treated powder. As the results of experiments, the densities of sintered pellets without dopant ranged from 10.04 to 10.34 g/cm{sup 3}(94.3 to 97.1% of T.D.), the grain size of the pellets ranged from 3 to 4 {mu}m. The sintered density of the pellets with TiO{sub 2} or Nb{sub 2}O{sub 5} ranged from 10.46 to 10.32 g/cm{sup 3}(98.2 to 96.9 % of T.D.) The grain size of the pellets with TiO{sub 2}, Nb{sub 2}O{sub 5} or Li{sub 2}O ranged from 7.3 to 12.2 {mu}m.
Monte Carlo Simulation of HERD Calorimeter
Xu, M; Dong, Y W; Lu, J G; Quan, Z; Wang, L; Wang, Z G; Wu, B B; Zhang, S N
2014-01-01
The High Energy cosmic-Radiation Detection (HERD) facility onboard China's Space Station is planned for operation starting around 2020 for about 10 years. It is designed as a next generation space facility focused on indirect dark matter search, precise cosmic ray spectrum and composition measurements up to the knee energy, and high energy gamma-ray monitoring and survey. The calorimeter plays an essential role in the main scientific objectives of HERD. A 3-D cubic calorimeter filled with high granularity crystals as active material is a very promising choice for the calorimeter. HERD is mainly composed of a 3-D calorimeter (CALO) surrounded by silicon trackers (TK) from all five sides except the bottom. CALO is made of 9261 cubes of LYSO crystals, corresponding to about 55 radiation lengths and 3 nuclear interaction lengths, respectively. Here the simulation results of the performance of CALO with GEANT4 and FLUKA are presented: 1) the total absorption CALO and its absorption depth for precise energy measure...
Nonequilibrium Candidate Monte Carlo Simulations with Configurational Freezing Schemes.
Giovannelli, Edoardo; Gellini, Cristina; Pietraperzia, Giangaetano; Cardini, Gianni; Chelli, Riccardo
2014-10-14
Nonequilibrium Candidate Monte Carlo simulation [Nilmeier et al., Proc. Natl. Acad. Sci. U.S.A. 2011, 108, E1009-E1018] is a tool devised to design Monte Carlo moves with high acceptance probabilities that connect uncorrelated configurations. Such moves are generated through nonequilibrium driven dynamics, producing candidate configurations accepted with a Monte Carlo-like criterion that preserves the equilibrium distribution. The probability of accepting a candidate configuration as the next sample in the Markov chain basically depends on the work performed on the system during the nonequilibrium trajectory and increases with decreasing such a work. It is thus strategically relevant to find ways of producing nonequilibrium moves with low work, namely moves where dissipation is as low as possible. This is the goal of our methodology, in which we combine Nonequilibrium Candidate Monte Carlo with Configurational Freezing schemes developed by Nicolini et al. (J. Chem. Theory Comput. 2011, 7, 582-593). The idea is to limit the configurational sampling to particles of a well-established region of the simulation sample, namely the region where dissipation occurs, while leaving fixed the other particles. This allows to make the system relaxation faster around the region perturbed by the finite-time switching move and hence to reduce the dissipated work, eventually enhancing the probability of accepting the generated move. Our combined approach enhances significantly configurational sampling, as shown by the case of a bistable dimer immersed in a dense fluid.
Monte Carlo simulation of a prototype photodetector used in radiotherapy
Kausch, C; Albers, D; Schmidt, R; Schreiber, B
2000-01-01
The imaging performance of prototype electronic portal imaging devices (EPID) has been investigated. Monte Carlo simulations have been applied to calculate the modulation transfer function (MTF( f )), the noise power spectrum (NPS( f )) and the detective quantum efficiency (DQE( f )) for different new type of EPIDs, which consist of a detector combination of metal or polyethylene (PE), a phosphor layer of Gd sub 2 O sub 2 S and a flat array of photodiodes. The simulated results agree well with measurements. Based on simulated results, possible optimization of these devices is discussed.
Computed radiography simulation using the Monte Carlo code MCNPX
Energy Technology Data Exchange (ETDEWEB)
Correa, S.C.A. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Centro Universitario Estadual da Zona Oeste (CCMAT)/UEZO, Av. Manuel Caldeira de Alvarenga, 1203, Campo Grande, 23070-200, Rio de Janeiro, RJ (Brazil); Souza, E.M. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Silva, A.X., E-mail: ademir@con.ufrj.b [PEN/COPPE-DNC/Poli CT, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil); Cassiano, D.H. [Instituto de Radioprotecao e Dosimetria/CNEN Av. Salvador Allende, s/n, Recreio, 22780-160, Rio de Janeiro, RJ (Brazil); Lopes, R.T. [Programa de Engenharia Nuclear/COPPE, Universidade Federal do Rio de Janeiro, Ilha do Fundao, Caixa Postal 68509, 21945-970, Rio de Janeiro, RJ (Brazil)
2010-09-15
Simulating X-ray images has been of great interest in recent years as it makes possible an analysis of how X-ray images are affected owing to relevant operating parameters. In this paper, a procedure for simulating computed radiographic images using the Monte Carlo code MCNPX is proposed. The sensitivity curve of the BaFBr image plate detector as well as the characteristic noise of a 16-bit computed radiography system were considered during the methodology's development. The results obtained confirm that the proposed procedure for simulating computed radiographic images is satisfactory, as it allows obtaining results comparable with experimental data.
Stock Price Simulation Using Bootstrap and Monte Carlo
Directory of Open Access Journals (Sweden)
Pažický Martin
2017-06-01
Full Text Available In this paper, an attempt is made to assessment and comparison of bootstrap experiment and Monte Carlo experiment for stock price simulation. Since the stock price evolution in the future is extremely important for the investors, there is the attempt to find the best method how to determine the future stock price of BNP Paribas′ bank. The aim of the paper is define the value of the European and Asian option on BNP Paribas′ stock at the maturity date. There are employed four different methods for the simulation. First method is bootstrap experiment with homoscedastic error term, second method is blocked bootstrap experiment with heteroscedastic error term, third method is Monte Carlo simulation with heteroscedastic error term and the last method is Monte Carlo simulation with homoscedastic error term. In the last method there is necessary to model the volatility using econometric GARCH model. The main purpose of the paper is to compare the mentioned methods and select the most reliable. The difference between classical European option and exotic Asian option based on the experiment results is the next aim of tis paper.
Stabilization effect of fission source in coupled Monte Carlo simulations
Directory of Open Access Journals (Sweden)
Börge Olsen
2017-08-01
Full Text Available A fission source can act as a stabilization element in coupled Monte Carlo simulations. We have observed this while studying numerical instabilities in nonlinear steady-state simulations performed by a Monte Carlo criticality solver that is coupled to a xenon feedback solver via fixed-point iteration. While fixed-point iteration is known to be numerically unstable for some problems, resulting in large spatial oscillations of the neutron flux distribution, we show that it is possible to stabilize it by reducing the number of Monte Carlo criticality cycles simulated within each iteration step. While global convergence is ensured, development of any possible numerical instability is prevented by not allowing the fission source to converge fully within a single iteration step, which is achieved by setting a small number of criticality cycles per iteration step. Moreover, under these conditions, the fission source may converge even faster than in criticality calculations with no feedback, as we demonstrate in our numerical test simulations.
Multi-pass Monte Carlo simulation method in nuclear transmutations.
Mateescu, Liviu; Kadambi, N Prasad; Ravindra, Nuggehalli M
2016-12-01
Monte Carlo methods, in their direct brute simulation incarnation, bring realistic results if the involved probabilities, be they geometrical or otherwise, remain constant for the duration of the simulation. However, there are physical setups where the evolution of the simulation represents a modification of the simulated system itself. Chief among such evolving simulated systems are the activation/transmutation setups. That is, the simulation starts with a given set of probabilities, which are determined by the geometry of the system, the components and by the microscopic interaction cross-sections. However, the relative weight of the components of the system changes along with the steps of the simulation. A natural measure would be adjusting probabilities after every step of the simulation. On the other hand, the physical system has typically a number of components of the order of Avogadro's number, usually 10(25) or 10(26) members. A simulation step changes the characteristics for just a few of these members; a probability will therefore shift by a quantity of 1/10(25). Such a change cannot be accounted for within a simulation, because then the simulation should have then a number of at least 10(28) steps in order to have some significance. This is not feasible, of course. For our computing devices, a simulation of one million steps is comfortable, but a further order of magnitude becomes too big a stretch for the computing resources. We propose here a method of dealing with the changing probabilities, leading to the increasing of the precision. This method is intended as a fast approximating approach, and also as a simple introduction (for the benefit of students) in the very branched subject of Monte Carlo simulations vis-à-vis nuclear reactors. Copyright © 2016 Elsevier Ltd. All rights reserved.
Application of Monte Carlo Simulations to Improve Basketball Shooting Strategy
Min, Byeong June
2016-01-01
The underlying physics of basketball shooting seems to be a straightforward example of the Newtonian mechanics that can easily be traced by numerical methods. However, a human basketball player does not make use of all the possible basketball trajectories. Instead, a basketball player will build up a database of successful shots and select the trajectory that has the greatest tolerance to small variations of the real world. We simulate the basketball player's shooting training as a Monte Carlo sequence to build optimal shooting strategies, such as the launch speed and angle of the basketball, and whether to take a direct shot or a bank shot, as a function of the player's court positions and height. The phase space volume that belongs to the successful launch velocities generated by Monte Carlo simulations are then used as the criterion to optimize a shooting strategy that incorporates not only mechanical, but human factors as well.
Conceptual design and Monte Carlo simulations of the AGATA array
Energy Technology Data Exchange (ETDEWEB)
Farnea, E., E-mail: Enrico.Farnea@pd.infn.i [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Recchia, F.; Bazzacco, D. [Istituto Nazionale di Fisica Nucleare, Sezione di Padova, Padova (Italy); Kroell, Th. [Institut fuer Kernphysik, Technische Universitaet Darmstadt, Darmstadt (Germany); Podolyak, Zs. [Department of Physics, University of Surrey, Guildford (United Kingdom); Quintana, B. [Departamento de Fisica Fundamental, Universidad de Salamanca, Salamanca (Spain); Gadea, A. [Instituto de Fisica Corpuscular, CSIC-Universidad de Valencia, Valencia (Spain)
2010-09-21
The aim of the Advanced GAmma Tracking Array (AGATA) project is the construction of an array based on the novel concepts of pulse shape analysis and {gamma}-ray tracking with highly segmented Ge semiconductor detectors. The conceptual design of AGATA and its performance evaluation under different experimental conditions has required the development of a suitable Monte Carlo code. In this article, the description of the code as well as simulation results relevant for AGATA, are presented.
Cassandra: An open source Monte Carlo package for molecular simulation.
Shah, Jindal K; Marin-Rimoldi, Eliseo; Mullen, Ryan Gotchy; Keene, Brian P; Khan, Sandip; Paluch, Andrew S; Rai, Neeraj; Romanielo, Lucienne L; Rosch, Thomas W; Yoo, Brian; Maginn, Edward J
2017-07-15
Cassandra is an open source atomistic Monte Carlo software package that is effective in simulating the thermodynamic properties of fluids and solids. The different features and algorithms used in Cassandra are described, along with implementation details and theoretical underpinnings to various methods used. Benchmark and example calculations are shown, and information on how users can obtain the package and contribute to it are provided. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.
An Introduction to Monte Carlo Simulation of Statistical physics Problem
Murthy, K. P. N.
2001-01-01
A brief introduction to the technique of Monte Carlo simulations in statistical physics is presented. The topics covered include statistical ensembles random and pseudo random numbers, random sampling techniques, importance sampling, Markov chain, Metropolis algorithm, continuous phase transition, statistical errors from correlated and uncorrelated data, finite size scaling, n-fold way, critical slowing down, blocking technique,percolation, cluster algorithms, cluster counting, histogram tech...
Two Dimensional Nucleation Process by Monte Carlo Simulation
T., Irisawa; K., Matsumoto; Y., Arima; T., Kan; Computer Center, Gakushuin University; Department of Physics, Gakushuin University
1997-01-01
Two dimensional nucleation process on substrate is investigated by Monte Carlo simulation, and the critical nucleus size and its waiting time are measured with a high accuracy. In order to measure the critical nucleus with a high accuracy, we calculate the attachment and the detachment rate to the nucleus directly, and define the critical nucleus size when both rate are equal. Using the kinematical nucleation theory by Nishioka, it is found that, our obtained kinematical two dimensional criti...
Monte Carlo Simulation as a Research Management Tool
Energy Technology Data Exchange (ETDEWEB)
Douglas, L. J.
1986-06-01
Monte Carlo simulation provides a research manager with a performance monitoring tool to supplement the standard schedule- and resource-based tools such as the Program Evaluation and Review Technique (PERT) and Critical Path Method (CPM). The value of the Monte Carlo simulation in a research environment is that it 1) provides a method for ranking competing processes, 2) couples technical improvements to the process economics, and 3) provides a mechanism to determine the value of research dollars. In this paper the Monte Carlo simulation approach is developed and applied to the evaluation of three competing processes for converting lignocellulosic biomass to ethanol. The technique is shown to be useful for ranking the processes and illustrating the importance of the timeframe of the analysis on the decision process. The results show that acid hydrolysis processes have higher potential for near-term application (2-5 years), while the enzymatic hydrolysis approach has an equal chance to be competitive in the long term (beyond 10 years).
Monte Carlo simulations in small animal PET imaging
Energy Technology Data Exchange (ETDEWEB)
Branco, Susana [Universidade de Lisboa, Faculdade de Ciencias, Instituto de Biofisica e Engenharia Biomedica, Lisbon (Portugal)], E-mail: susana.silva@fc.ul.pt; Jan, Sebastien [Service Hospitalier Frederic Joliot, CEA/DSV/DRM, Orsay (France); Almeida, Pedro [Universidade de Lisboa, Faculdade de Ciencias, Instituto de Biofisica e Engenharia Biomedica, Lisbon (Portugal)
2007-10-01
This work is based on the use of an implemented Positron Emission Tomography (PET) simulation system dedicated for small animal PET imaging. Geant4 Application for Tomographic Emission (GATE), a Monte Carlo simulation platform based on the Geant4 libraries, is well suited for modeling the microPET FOCUS system and to implement realistic phantoms, such as the MOBY phantom, and data maps from real examinations. The use of a microPET FOCUS simulation model with GATE has been validated for spatial resolution, counting rates performances, imaging contrast recovery and quantitative analysis. Results from realistic studies of the mouse body using {sup -}F and [{sup 18}F]FDG imaging protocols are presented. These simulations include the injection of realistic doses into the animal and realistic time framing. The results have shown that it is possible to simulate small animal PET acquisitions under realistic conditions, and are expected to be useful to improve the quantitative analysis in PET mouse body studies.
Spatial distribution sampling and Monte Carlo simulation of radioactive isotopes
Krainer, Alexander Michael
2015-01-01
This work focuses on the implementation of a program for random sampling of uniformly spatially distributed isotopes for Monte Carlo particle simulations and in specific FLUKA. With FLUKA it is possible to calculate the radio nuclide production in high energy fields. The decay of these nuclide, and therefore the resulting radiation field, however can only be simulated in the same geometry. This works gives the tool to simulate the decay of the produced nuclide in other geometries. With that the radiation field from an irradiated object can be simulated in arbitrary environments. The sampling of isotope mixtures was tested by simulating a 50/50 mixture of $Cs^{137}$ and $Co^{60}$. These isotopes are both well known and provide therefore a first reliable benchmark in that respect. The sampling of uniformly distributed coordinates was tested using the histogram test for various spatial distributions. The advantages and disadvantages of the program compared to standard methods are demonstrated in the real life ca...
Investigating Transmission Efficiency of Light Guide by Monte Carlo Simulation
Institute of Scientific and Technical Information of China (English)
LiChen; XiaoGuoqing; GuoZhongyan; ZhanWenlongt; SunZhiyu; WangMeng; ChenZhiqiang; MaoRuishi; BaiJie; HuZhengguo; ChenLixin
2003-01-01
A large area neutron detector to detect the energy of about 1 GeV neutron by time-of flight method will be installed at RIBLL II of CSR. To obtain good energy resolution, the time resolution of the detector is a crucial parameter. For this purpose, the transmission efficiency of the light guide to transport the photons from detec-tor unit to light sensitive detector has been investigated by Monte-Carlo simulation. Here, the simulations were done mainly with two types of the light guides, namely type A and type B as shown in Figs.1 and 2 respectively.
Monte Carlo Simulation of Kinesin Movement with a Lattice Model
Institute of Scientific and Technical Information of China (English)
WANG Hong; DOU Shuo-Xing; WANG Peng-Ye
2005-01-01
@@ Kinesin is a processive double-headed molecular motor that moves along a microtubule by taking about 8nm steps. It generally hydrolyzes one ATP molecule for taking each forward step. The processive movement of the kinesin molecular motors is numerically simulated with a lattice model. The motors are considered as Brownian particles and the ATPase processes of both heads are taken into account. The Monte Carlo simulation results agree well with recent experimental observations, especially on the relation of velocity versus ATP and ADP concentrations.
Monte Carlo simulation of charge mediated magnetoelectricity in multiferroic bilayers
Energy Technology Data Exchange (ETDEWEB)
Ortiz-Álvarez, H.H. [Universidad de Caldas, Manizales (Colombia); Universidad Nacional de Colombia Sede Manizales, Manizales, Caldas (Colombia); Bedoya-Hincapié, C.M. [Universidad Nacional de Colombia Sede Manizales, Manizales, Caldas (Colombia); Universidad Santo Tomás, Bogotá (Colombia); Restrepo-Parra, E., E-mail: erestrepopa@unal.edu.co [Universidad Nacional de Colombia Sede Manizales, Manizales, Caldas (Colombia)
2014-12-01
Simulations of a bilayer ferroelectric/ferromagnetic multiferroic system were carried out, based on the Monte Carlo method and Metropolis dynamics. A generic model was implemented with a Janssen-like Hamiltonian, taking into account magnetoelectric interactions due to charge accumulation at the interface. Two different magnetic exchange constants were considered for accumulation and depletion states. Several screening lengths were also included. Simulations exhibit considerable magnetoelectric effects not only at low temperature, but also at temperature near to the transition point of the ferromagnetic layer. The results match experimental observations for this kind of structure and mechanism.
More about Zener drag studies with Monte Carlo simulations
Di Prinzio, Carlos L.; Druetta, Esteban; Nasello, Olga Beatriz
2013-03-01
Grain growth (GG) processes in the presence of second-phase and stationary particles have been widely studied but the results found are inconsistent. We present new GG simulations in two- and three-dimensional (2D and 3D) polycrystalline samples with second phase stationary particles, using the Monte Carlo technique. Simulations using values of particle concentration greater than 15% and particle radii different from 1 or 3 are performed, thus covering a range of particle radii and concentrations not previously studied. It is shown that only the results for 3D samples follow Zener's law.
SIMIND Monte Carlo simulation of a single photon emission CT
Directory of Open Access Journals (Sweden)
Bahreyni Toossi M
2010-01-01
Full Text Available In this study, we simulated a Siemens E.CAM SPECT system using SIMIND Monte Carlo program to acquire its experimental characterization in terms of energy resolution, sensitivity, spatial resolution and imaging of phantoms using 99m Tc. The experimental and simulation data for SPECT imaging was acquired from a point source and Jaszczak phantom . Verification of the simulation was done by comparing two sets of images and related data obtained from the actual and simulated systems. Image quality was assessed by comparing image contrast and resolution. Simulated and measured energy spectra (with or without a collimator and spatial resolution from point sources in air were compared. The resulted energy spectra present similar peaks for the gamma energy of 99m Tc at 140 KeV. FWHM for the simulation calculated to14.01 KeV and 13.80 KeV for experimental data, corresponding to energy resolution of 10.01and 9.86% compared to defined 9.9% for both systems, respectively. Sensitivities of the real and virtual gamma cameras were calculated to 85.11 and 85.39 cps/MBq, respectively. The energy spectra of both simulated and real gamma cameras were matched. Images obtained from Jaszczak phantom, experimentally and by simulation, showed similarity in contrast and resolution. SIMIND Monte Carlo could successfully simulate the Siemens E.CAM gamma camera. The results validate the use of the simulated system for further investigation, including modification, planning, and developing a SPECT system to improve the quality of images.
Global Monte Carlo Simulation with High Order Polynomial Expansions
Energy Technology Data Exchange (ETDEWEB)
William R. Martin; James Paul Holloway; Kaushik Banerjee; Jesse Cheatham; Jeremy Conlin
2007-12-13
The functional expansion technique (FET) was recently developed for Monte Carlo simulation. The basic idea of the FET is to expand a Monte Carlo tally in terms of a high order expansion, the coefficients of which can be estimated via the usual random walk process in a conventional Monte Carlo code. If the expansion basis is chosen carefully, the lowest order coefficient is simply the conventional histogram tally, corresponding to a flat mode. This research project studied the applicability of using the FET to estimate the fission source, from which fission sites can be sampled for the next generation. The idea is that individual fission sites contribute to expansion modes that may span the geometry being considered, possibly increasing the communication across a loosely coupled system and thereby improving convergence over the conventional fission bank approach used in most production Monte Carlo codes. The project examined a number of basis functions, including global Legendre polynomials as well as “local” piecewise polynomials such as finite element hat functions and higher order versions. The global FET showed an improvement in convergence over the conventional fission bank approach. The local FET methods showed some advantages versus global polynomials in handling geometries with discontinuous material properties. The conventional finite element hat functions had the disadvantage that the expansion coefficients could not be estimated directly but had to be obtained by solving a linear system whose matrix elements were estimated. An alternative fission matrix-based response matrix algorithm was formulated. Studies were made of two alternative applications of the FET, one based on the kernel density estimator and one based on Arnoldi’s method of minimized iterations. Preliminary results for both methods indicate improvements in fission source convergence. These developments indicate that the FET has promise for speeding up Monte Carlo fission source
Estimating return period of landslide triggering by Monte Carlo simulation
Peres, D. J.; Cancelliere, A.
2016-10-01
Assessment of landslide hazard is a crucial step for landslide mitigation planning. Estimation of the return period of slope instability represents a quantitative method to map landslide triggering hazard on a catchment. The most common approach to estimate return periods consists in coupling a triggering threshold equation, derived from an hydrological and slope stability process-based model, with a rainfall intensity-duration-frequency (IDF) curve. Such a traditional approach generally neglects the effect of rainfall intensity variability within events, as well as the variability of initial conditions, which depend on antecedent rainfall. We propose a Monte Carlo approach for estimating the return period of shallow landslide triggering which enables to account for both variabilities. Synthetic hourly rainfall-landslide data generated by Monte Carlo simulations are analysed to compute return periods as the mean interarrival time of a factor of safety less than one. Applications are first conducted to map landslide triggering hazard in the Loco catchment, located in highly landslide-prone area of the Peloritani Mountains, Sicily, Italy. Then a set of additional simulations are performed in order to evaluate the traditional IDF-based method by comparison with the Monte Carlo one. Results show that return period is affected significantly by variability of both rainfall intensity within events and of initial conditions, and that the traditional IDF-based approach may lead to an overestimation of the return period of landslide triggering, or, in other words, a non-conservative assessment of landslide hazard.
A New Approach to Monte Carlo Simulations in Statistical Physics
Landau, David P.
2002-08-01
Monte Carlo simulations [1] have become a powerful tool for the study of diverse problems in statistical/condensed matter physics. Standard methods sample the probability distribution for the states of the system, most often in the canonical ensemble, and over the past several decades enormous improvements have been made in performance. Nonetheless, difficulties arise near phase transitions-due to critical slowing down near 2nd order transitions and to metastability near 1st order transitions, and these complications limit the applicability of the method. We shall describe a new Monte Carlo approach [2] that uses a random walk in energy space to determine the density of states directly. Once the density of states is known, all thermodynamic properties can be calculated. This approach can be extended to multi-dimensional parameter spaces and should be effective for systems with complex energy landscapes, e.g., spin glasses, protein folding models, etc. Generalizations should produce a broadly applicable optimization tool. 1. A Guide to Monte Carlo Simulations in Statistical Physics, D. P. Landau and K. Binder (Cambridge U. Press, Cambridge, 2000). 2. Fugao Wang and D. P. Landau, Phys. Rev. Lett. 86, 2050 (2001); Phys. Rev. E64, 056101-1 (2001).
Monte Carlo Simulations of Arterial Imaging with Optical Coherence Tomography
Energy Technology Data Exchange (ETDEWEB)
Amendt, P.; Estabrook, K.; Everett, M.; London, R.A.; Maitland, D.; Zimmerman, G.; Colston, B.; da Silva, L.; Sathyam, U.
2000-02-01
The laser-tissue interaction code LATIS [London et al., Appl. Optics 36, 9068 ( 1998)] is used to analyze photon scattering histories representative of optical coherence tomography (OCT) experiment performed at Lawrence Livermore National Laboratory. Monte Carlo photonics with Henyey-Greenstein anisotropic scattering is implemented and used to simulate signal discrimination of intravascular structure. An analytic model is developed and used to obtain a scaling law relation for optimization of the OCT signal and to validate Monte Carlo photonics. The appropriateness of the Henyey-Greenstein phase function is studied by direct comparison with more detailed Mie scattering theory using an ensemble of spherical dielectric scatterers. Modest differences are found between the two prescriptions for describing photon angular scattering in tissue. In particular, the Mie scattering phase functions provide less overall reflectance signal but more signal contrast compared to the Henyey-Greenstein formulation.
Accelerated Monte Carlo simulations with restricted Boltzmann machines
Huang, Li; Wang, Lei
2017-01-01
Despite their exceptional flexibility and popularity, Monte Carlo methods often suffer from slow mixing times for challenging statistical physics problems. We present a general strategy to overcome this difficulty by adopting ideas and techniques from the machine learning community. We fit the unnormalized probability of the physical model to a feed-forward neural network and reinterpret the architecture as a restricted Boltzmann machine. Then, exploiting its feature detection ability, we utilize the restricted Boltzmann machine to propose efficient Monte Carlo updates to speed up the simulation of the original physical system. We implement these ideas for the Falicov-Kimball model and demonstrate an improved acceptance ratio and autocorrelation time near the phase transition point.
Accelerate Monte Carlo Simulations with Restricted Boltzmann Machines
Huang, Li
2016-01-01
Despite their exceptional flexibility and popularity, the Monte Carlo methods often suffer from slow mixing times for challenging statistical physics problems. We present a general strategy to overcome this difficulty by adopting ideas and techniques from the machine learning community. We fit the unnormalized probability of the physical model to a feedforward neural network and reinterpret the architecture as a restricted Boltzmann machine. Then, exploiting its feature detection ability, we utilize the restricted Boltzmann machine for efficient Monte Carlo updates and to speed up the simulation of the original physical system. We implement these ideas for the Falicov-Kimball model and demonstrate improved acceptance ratio and autocorrelation time near the phase transition point.
Monte Carlo Simulation Of Emission Tomography And Other Medical Imaging Techniques.
Harrison, Robert L
2010-01-05
An introduction to Monte Carlo simulation of emission tomography. This paper reviews the history and principles of Monte Carlo simulation, then applies these principles to emission tomography using the public domain simulation package SimSET (a Simulation System for Emission Tomography) as an example. Finally, the paper discusses how the methods are modified for X-ray computed tomography and radiotherapy simulations.
Accelerating particle-in-cell simulations using multilevel Monte Carlo
Ricketson, Lee
2015-11-01
Particle-in-cell (PIC) simulations have been an important tool in understanding plasmas since the dawn of the digital computer. Much more recently, the multilevel Monte Carlo (MLMC) method has accelerated particle-based simulations of a variety of systems described by stochastic differential equations (SDEs), from financial portfolios to porous media flow. The fundamental idea of MLMC is to perform correlated particle simulations using a hierarchy of different time steps, and to use these correlations for variance reduction on the fine-step result. This framework is directly applicable to the Langevin formulation of Coulomb collisions, as demonstrated in previous work, but in order to apply to PIC simulations of realistic scenarios, MLMC must be generalized to incorporate self-consistent evolution of the electromagnetic fields. We present such a generalization, with rigorous results concerning its accuracy and efficiency. We present examples of the method in the collisionless, electrostatic context, and discuss applications and extensions for the future.
Monte Carlo Simulation Program from the World Petroleum Assessment 2000, DDS-60 (Emc2.xls)
U.S. Geological Survey, Department of the Interior — Monte Carlo programs described in chapter MC, Monte Carlo Simulation Method. Emc2.xls was the program used to calculate the estimates of undiscovered resources for...
Mont Carlo Simulation Program from the World Petroleum Assessment 2000, DDS-60 (emcee.xls).xml
U.S. Geological Survey, Department of the Interior — Monte Carlo programs described in chapter MC, Monte Carlo Simulation Method. Emc2.xls was the program used to calculate the estimates of undiscovered resources for...
Monte Carlo Simulation Program from the World Petroleum Assessment 2000, DDS-60 (Emc2.xls).
U.S. Geological Survey, Department of the Interior — Monte Carlo programs described in chapter MC, Monte Carlo Simulation Method. Emc2.xls was the program used to calculate the estimates of undiscovered resources for...
Mont Carlo Simulation Program from the World Petroleum Assessment 2000, DDS-60 (emcee.xls)
U.S. Geological Survey, Department of the Interior — Monte Carlo programs described in chapter MC, Monte Carlo Simulation Method. Emc2.xls was the program used to calculate the estimates of undiscovered resources for...
GATE Monte Carlo simulation in a cloud computing environment
Rowedder, Blake Austin
The GEANT4-based GATE is a unique and powerful Monte Carlo (MC) platform, which provides a single code library allowing the simulation of specific medical physics applications, e.g. PET, SPECT, CT, radiotherapy, and hadron therapy. However, this rigorous yet flexible platform is used only sparingly in the clinic due to its lengthy calculation time. By accessing the powerful computational resources of a cloud computing environment, GATE's runtime can be significantly reduced to clinically feasible levels without the sizable investment of a local high performance cluster. This study investigated a reliable and efficient execution of GATE MC simulations using a commercial cloud computing services. Amazon's Elastic Compute Cloud was used to launch several nodes equipped with GATE. Job data was initially broken up on the local computer, then uploaded to the worker nodes on the cloud. The results were automatically downloaded and aggregated on the local computer for display and analysis. Five simulations were repeated for every cluster size between 1 and 20 nodes. Ultimately, increasing cluster size resulted in a decrease in calculation time that could be expressed with an inverse power model. Comparing the benchmark results to the published values and error margins indicated that the simulation results were not affected by the cluster size and thus that integrity of a calculation is preserved in a cloud computing environment. The runtime of a 53 minute long simulation was decreased to 3.11 minutes when run on a 20-node cluster. The ability to improve the speed of simulation suggests that fast MC simulations are viable for imaging and radiotherapy applications. With high power computing continuing to lower in price and accessibility, implementing Monte Carlo techniques with cloud computing for clinical applications will continue to become more attractive.
Monte Carlo simulation of proton track structure in biological matter
Quinto, Michele A.; Monti, Juan M.; Weck, Philippe F.; Fojón, Omar A.; Hanssen, Jocelyn; Rivarola, Roberto D.; Senot, Philippe; Champion, Christophe
2017-05-01
Understanding the radiation-induced effects at the cellular and subcellular levels remains crucial for predicting the evolution of irradiated biological matter. In this context, Monte Carlo track-structure simulations have rapidly emerged among the most suitable and powerful tools. However, most existing Monte Carlo track-structure codes rely heavily on the use of semi-empirical cross sections as well as water as a surrogate for biological matter. In the current work, we report on the up-to-date version of our homemade Monte Carlo code TILDA-V - devoted to the modeling of the slowing-down of 10 keV-100 MeV protons in both water and DNA - where the main collisional processes are described by means of an extensive set of ab initio differential and total cross sections. Contribution to the Topical Issue "Many Particle Spectroscopy of Atoms, Molecules, Clusters and Surfaces", edited by A.N. Grum-Grzhimailo, E.V. Gryzlova, Yu V. Popov, and A.V. Solov'yov.
Monte Carlo Simulation for Statistical Decay of Compound Nucleus
Directory of Open Access Journals (Sweden)
Chadwick M.B.
2012-02-01
Full Text Available We perform Monte Carlo simulations for neutron and γ-ray emissions from a compound nucleus based on the Hauser-Feshbach statistical theory. This Monte Carlo Hauser-Feshbach (MCHF method calculation, which gives us correlated information between emitted particles and γ-rays. It will be a powerful tool in many applications, as nuclear reactions can be probed in a more microscopic way. We have been developing the MCHF code, CGM, which solves the Hauser-Feshbach theory with the Monte Carlo method. The code includes all the standard models that used in a standard Hauser-Feshbach code, namely the particle transmission generator, the level density module, interface to the discrete level database, and so on. CGM can emit multiple neutrons, as long as the excitation energy of the compound nucleus is larger than the neutron separation energy. The γ-ray competition is always included at each compound decay stage, and the angular momentum and parity are conserved. Some calculations for a fission fragment 140Xe are shown as examples of the MCHF method, and the correlation between the neutron and γ-ray is discussed.
Underestimation of nuclear fuel burnup – theory, demonstration and solution in numerical models
Directory of Open Access Journals (Sweden)
Gajda Paweł
2016-01-01
Full Text Available Monte Carlo methodology provides reference statistical solution of neutron transport criticality problems of nuclear systems. Estimated reaction rates can be applied as an input to Bateman equations that govern isotopic evolution of reactor materials. Because statistical solution of Boltzmann equation is computationally expensive, it is in practice applied to time steps of limited length. In this paper we show that simple staircase step model leads to underprediction of numerical fuel burnup (Fissions per Initial Metal Atom – FIMA. Theoretical considerations indicates that this error is inversely proportional to the length of the time step and origins from the variation of heating per source neutron. The bias can be diminished by application of predictor-corrector step model. A set of burnup simulations with various step length and coupling schemes has been performed. SERPENT code version 1.17 has been applied to the model of a typical fuel assembly from Pressurized Water Reactor. In reference case FIMA reaches 6.24% that is equivalent to about 60 GWD/tHM of industrial burnup. The discrepancies up to 1% have been observed depending on time step model and theoretical predictions are consistent with numerical results. Conclusions presented in this paper are important for research and development concerning nuclear fuel cycle also in the context of Gen4 systems.
Kinetic Monte Carlo simulation of the classical nucleation process
Filipponi, A.; Giammatteo, P.
2016-12-01
We implemented a kinetic Monte Carlo computer simulation of the nucleation process in the framework of the coarse grained scenario of the Classical Nucleation Theory (CNT). The computational approach is efficient for a wide range of temperatures and sample sizes and provides a reliable simulation of the stochastic process. The results for the nucleation rate are in agreement with the CNT predictions based on the stationary solution of the set of differential equations for the continuous variables representing the average population distribution of nuclei size. Time dependent nucleation behavior can also be simulated with results in agreement with previous approaches. The method, here established for the case in which the excess free-energy of a crystalline nucleus is a smooth-function of the size, can be particularly useful when more complex descriptions are required.
Monte Carlo simulations for design of the KFUPM PGNAA facility
Naqvi, A A; Maslehuddin, M; Kidwai, S
2003-01-01
Monte Carlo simulations were carried out to design a 2.8 MeV neutron-based prompt gamma ray neutron activation analysis (PGNAA) setup for elemental analysis of cement samples. The elemental analysis was carried out using prompt gamma rays produced through capture of thermal neutrons in sample nuclei. The basic design of the PGNAA setup consists of a cylindrical cement sample enclosed in a cylindrical high-density polyethylene moderator placed between a neutron source and a gamma ray detector. In these simulations the predominant geometrical parameters of the PGNAA setup were optimized, including moderator size, sample size and shielding of the detector. Using the results of the simulations, an experimental PGNAA setup was then fabricated at the 350 kV Accelerator Laboratory of this University. The design calculations were checked experimentally through thermal neutron flux measurements inside the PGNAA moderator. A test prompt gamma ray spectrum of the PGNAA setup was also acquired from a Portland cement samp...
A Monte Carlo Simulation Framework for Testing Cosmological Models
Directory of Open Access Journals (Sweden)
Heymann Y.
2014-10-01
Full Text Available We tested alternative cosmologies using Monte Carlo simulations based on the sam- pling method of the zCosmos galactic survey. The survey encompasses a collection of observable galaxies with respective redshifts that have been obtained for a given spec- troscopic area of the sky. Using a cosmological model, we can convert the redshifts into light-travel times and, by slicing the survey into small redshift buckets, compute a curve of galactic density over time. Because foreground galaxies obstruct the images of more distant galaxies, we simulated the theoretical galactic density curve using an average galactic radius. By comparing the galactic density curves of the simulations with that of the survey, we could assess the cosmologies. We applied the test to the expanding-universe cosmology of de Sitter and to a dichotomous cosmology.
Monte Carlo Simulation Tool Installation and Operation Guide
Energy Technology Data Exchange (ETDEWEB)
Aguayo Navarrete, Estanislao; Ankney, Austin S.; Berguson, Timothy J.; Kouzes, Richard T.; Orrell, John L.; Troy, Meredith D.; Wiseman, Clinton G.
2013-09-02
This document provides information on software and procedures for Monte Carlo simulations based on the Geant4 toolkit, the ROOT data analysis software and the CRY cosmic ray library. These tools have been chosen for its application to shield design and activation studies as part of the simulation task for the Majorana Collaboration. This document includes instructions for installation, operation and modification of the simulation code in a high cyber-security computing environment, such as the Pacific Northwest National Laboratory network. It is intended as a living document, and will be periodically updated. It is a starting point for information collection by an experimenter, and is not the definitive source. Users should consult with one of the authors for guidance on how to find the most current information for their needs.
Monte Carlo simulation of quantum Zeno effect in the brain
Georgiev, Danko
2015-12-01
Environmental decoherence appears to be the biggest obstacle for successful construction of quantum mind theories. Nevertheless, the quantum physicist Henry Stapp promoted the view that the mind could utilize quantum Zeno effect to influence brain dynamics and that the efficacy of such mental efforts would not be undermined by environmental decoherence of the brain. To address the physical plausibility of Stapp's claim, we modeled the brain using quantum tunneling of an electron in a multiple-well structure such as the voltage sensor in neuronal ion channels and performed Monte Carlo simulations of quantum Zeno effect exerted by the mind upon the brain in the presence or absence of environmental decoherence. The simulations unambiguously showed that the quantum Zeno effect breaks down for timescales greater than the brain decoherence time. To generalize the Monte Carlo simulation results for any n-level quantum system, we further analyzed the change of brain entropy due to the mind probing actions and proved a theorem according to which local projections cannot decrease the von Neumann entropy of the unconditional brain density matrix. The latter theorem establishes that Stapp's model is physically implausible but leaves a door open for future development of quantum mind theories provided the brain has a decoherence-free subspace.
On the time scale associated with Monte Carlo simulations.
Bal, Kristof M; Neyts, Erik C
2014-11-28
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
On the time scale associated with Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Bal, Kristof M., E-mail: kristof.bal@uantwerpen.be; Neyts, Erik C. [Department of Chemistry, University of Antwerp, Research Group PLASMANT, Universiteitsplein 1, 2610 Wilrijk, Antwerp (Belgium)
2014-11-28
Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
Monte Carlo simulation for simultaneous particle coagulation and deposition
Institute of Scientific and Technical Information of China (English)
ZHAO; Haibo; ZHENG; Chuguang
2006-01-01
The process of dynamic evolution in dispersed systems due to simultaneous particle coagulation and deposition is described mathematically by general dynamic equation (GDE). Monte Carlo (MC) method is an important approach of numerical solutions of GDE. However, constant-volume MC method exhibits the contradictory of low computation cost and high computation precision owing to the fluctuation of the number of simulation particles; constant-number MC method can hardly be applied to engineering application and general scientific quantitative analysis due to the continual contraction or expansion of computation domain. In addition, the two MC methods depend closely on the "subsystem" hypothesis, which constraints their expansibility and the scope of application. A new multi-Monte Carlo (MMC) method is promoted to take account of GDE for simultaneous particle coagulation and deposition. MMC method introduces the concept of "weighted fictitious particle" and is based on the "time-driven" technique. Furthermore MMC method maintains synchronously the computational domain and the total number of fictitious particles, which results in the latent expansibility of simulation for boundary condition, the space evolution of particle size distribution and even particle dynamics. The simulation results of MMC method for two special cases in which analytical solutions exist agree with analytical solutions well, which proves that MMC method has high and stable computational precision and low computation cost because of the constant and limited number of fictitious particles. Lastly the source of numerical error and the relative error of MMC method are analyzed, respectively.
Monte Carlo simulation on backward steps of single kinesin molecule
Institute of Scientific and Technical Information of China (English)
Wang Hong; Zhang Yong; Dou Shuo-Xing; Wang Peng-Ye
2008-01-01
Kinesin is a stepping molecular motor travelling along the microtubule. It moves primarily in the plus end direction of the microtubule and occasionally in the minus-end, backward, direction. Recently, the backward steps of kinesin under different loads and temperatures start to attract interests, and the relations among them are revealed. This paper aims to theoretically understand these relations observed in experiments. After introducing a backward pathway into the previous model of the ATPase cycle of kinesin movement, the dependence of the backward movement on the load and the temperature is explored through Monte Carlo simulation. Our results agree well with previous experiments.
Monte Carlo simulation experiments on box-type radon dosimeter
Jamil, Khalid; Kamran, Muhammad; Illahi, Ahsan; Manzoor, Shahid
2014-11-01
Epidemiological studies show that inhalation of radon gas (222Rn) may be carcinogenic especially to mine workers, people living in closed indoor energy conserved environments and underground dwellers. It is, therefore, of paramount importance to measure the 222Rn concentrations (Bq/m3) in indoors environments. For this purpose, box-type passive radon dosimeters employing ion track detector like CR-39 are widely used. Fraction of the number of radon alphas emitted in the volume of the box type dosimeter resulting in latent track formation on CR-39 is the latent track registration efficiency. Latent track registration efficiency is ultimately required to evaluate the radon concentration which consequently determines the effective dose and the radiological hazards. In this research, Monte Carlo simulation experiments were carried out to study the alpha latent track registration efficiency for box type radon dosimeter as a function of dosimeter's dimensions and range of alpha particles in air. Two different self developed Monte Carlo simulation techniques were employed namely: (a) Surface ratio (SURA) method and (b) Ray hitting (RAHI) method. Monte Carlo simulation experiments revealed that there are two types of efficiencies i.e. intrinsic efficiency (ηint) and alpha hit efficiency (ηhit). The ηint depends upon only on the dimensions of the dosimeter and ηhit depends both upon dimensions of the dosimeter and range of the alpha particles. The total latent track registration efficiency is the product of both intrinsic and hit efficiencies. It has been concluded that if diagonal length of box type dosimeter is kept smaller than the range of alpha particle then hit efficiency is achieved as 100%. Nevertheless the intrinsic efficiency keeps playing its role. The Monte Carlo simulation experimental results have been found helpful to understand the intricate track registration mechanisms in the box type dosimeter. This paper explains that how radon concentration from the
Monte-Carlo Simulation on Neutron Instruments at CARR
Institute of Scientific and Technical Information of China (English)
2001-01-01
The design of high resolution neutron powder diffractometer(HRPD) and two cold neutron guides(CNGs) to be built at China advanced research reactor(CARR) are studied by Monte-Carlo simulation technique.The HRPD instrument is desiged to have a minimum resolution of 0.2% and neutron fluence rate of greater than 106 cm-2 ·s-1 at sample position. The resolution curves, neutron fluence rate and effective neutron beam size at sample position are given. Differences in resolutions and intensity between the
Monte Carlo simulation of AB-copolymers with saturating bonds
DEFF Research Database (Denmark)
Chertovich, A.C.; Ivanov, V.A.; Khokhlov, A.R.
2003-01-01
Structural transitions in a single AB-copolymer chain where saturating bonds can be formed between A- and B-units are studied by means of Monte Carlo computer simulations using the bond fluctuation model. Three transitions are found, coil-globule, coil-hairpin and globule-hairpin, depending...... to those of diblock sequences than to the properties of random sequences. The model (although quite rough) is expected to represent some basic features of real RNA molecules, i.e. the formation of secondary structure of RNA due to hydrogen bonding of corresponding bases and stacking interactions...
Monte Carlo Simulation for the MAGIC-II System
Carmona, E; Moralejo, A; Vitale, V; Sobczynska, D; Haffke, M; Bigongiari, C; Otte, N; Cabras, G; De Maria, M; De Sabata, F
2007-01-01
Within the year 2007, MAGIC will be upgraded to a two telescope system at La Palma. Its main goal is to improve the sensitivity in the stereoscopic/coincident operational mode. At the same time it will lower the analysis threshold of the currently running single MAGIC telescope. Results from the Monte Carlo simulations of this system will be discussed. A comparison of the two telescope system with the performance of one single telescope will be shown in terms of sensitivity, angular resolution and energy resolution.
Cluster Monte Carlo simulations of the nematic-isotropic transition
Priezjev, N. V.; Pelcovits, Robert A.
2001-06-01
We report the results of simulations of the three-dimensional Lebwohl-Lasher model of the nematic-isotropic transition using a single cluster Monte Carlo algorithm. The algorithm, first introduced by Kunz and Zumbach to study two-dimensional nematics, is a modification of the Wolff algorithm for spin systems, and greatly reduces critical slowing down. We calculate the free energy in the neighborhood of the transition for systems up to linear size 70. We find a double well structure with a barrier that grows with increasing system size. We thus obtain an upper estimate of the value of the transition temperature in the thermodynamic limit.
A generalized hard-sphere model for Monte Carlo simulation
Hassan, H. A.; Hash, David B.
1993-01-01
A new molecular model, called the generalized hard-sphere, or GHS model, is introduced. This model contains, as a special case, the variable hard-sphere model of Bird (1981) and is capable of reproducing all of the analytic viscosity coefficients available in the literature that are derived for a variety of interaction potentials incorporating attraction and repulsion. In addition, a new procedure for determining interaction potentials in a gas mixture is outlined. Expressions needed for implementing the new model in the direct simulation Monte Carlo methods are derived. This development makes it possible to employ interaction models that have the same level of complexity as used in Navier-Stokes calculations.
Implict Monte Carlo Radiation Transport Simulations of Four Test Problems
Energy Technology Data Exchange (ETDEWEB)
Gentile, N
2007-08-01
Radiation transport codes, like almost all codes, are difficult to develop and debug. It is helpful to have small, easy to run test problems with known answers to use in development and debugging. It is also prudent to re-run test problems periodically during development to ensure that previous code capabilities have not been lost. We describe four radiation transport test problems with analytic or approximate analytic answers. These test problems are suitable for use in debugging and testing radiation transport codes. We also give results of simulations of these test problems performed with an Implicit Monte Carlo photonics code.
Monte Carlo simulation experiments on box-type radon dosimeter
Energy Technology Data Exchange (ETDEWEB)
Jamil, Khalid, E-mail: kjamil@comsats.edu.pk; Kamran, Muhammad; Illahi, Ahsan; Manzoor, Shahid
2014-11-11
Epidemiological studies show that inhalation of radon gas ({sup 222}Rn) may be carcinogenic especially to mine workers, people living in closed indoor energy conserved environments and underground dwellers. It is, therefore, of paramount importance to measure the {sup 222}Rn concentrations (Bq/m{sup 3}) in indoors environments. For this purpose, box-type passive radon dosimeters employing ion track detector like CR-39 are widely used. Fraction of the number of radon alphas emitted in the volume of the box type dosimeter resulting in latent track formation on CR-39 is the latent track registration efficiency. Latent track registration efficiency is ultimately required to evaluate the radon concentration which consequently determines the effective dose and the radiological hazards. In this research, Monte Carlo simulation experiments were carried out to study the alpha latent track registration efficiency for box type radon dosimeter as a function of dosimeter’s dimensions and range of alpha particles in air. Two different self developed Monte Carlo simulation techniques were employed namely: (a) Surface ratio (SURA) method and (b) Ray hitting (RAHI) method. Monte Carlo simulation experiments revealed that there are two types of efficiencies i.e. intrinsic efficiency (η{sub int}) and alpha hit efficiency (η{sub hit}). The η{sub int} depends upon only on the dimensions of the dosimeter and η{sub hit} depends both upon dimensions of the dosimeter and range of the alpha particles. The total latent track registration efficiency is the product of both intrinsic and hit efficiencies. It has been concluded that if diagonal length of box type dosimeter is kept smaller than the range of alpha particle then hit efficiency is achieved as 100%. Nevertheless the intrinsic efficiency keeps playing its role. The Monte Carlo simulation experimental results have been found helpful to understand the intricate track registration mechanisms in the box type dosimeter. This paper
Probabilistic Assessments of the Plate Using Monte Carlo Simulation
Energy Technology Data Exchange (ETDEWEB)
Ismail, A E [Department of Mechanical Engineering, Faculty of Mechanical and Manufacturing Engineering, Universiti Tun Hussein Onn Malaysia, Batu Pahat, 86400 Johor (Malaysia); Ariffin, A K; Abdullah, S; Ghazali, M J, E-mail: kamal@eng.ukm.my, E-mail: shahrum@eng.ukm.my, E-mail: maryam@eng.ukm.my, E-mail: emran@uthm.edu.my [Department of Mechanical and Materials Engineering, Faculty of Engineering and Built Environment, Universiti Kebangsaan Malaysia, Universiti Kebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)
2011-02-15
This paper presents the probabilistic analysis of the plate with a hole using several multiaxial high cycle fatigue criteria (MHFC). Dang Van, Sines, Crossland criteria were used and von Mises criterion was also considered for comparison purpose. Parametric finite element model of the plate was developed and several important random variable parameters were selected and Latin Hypercube Sampling Monte-Carlo Simulation (LHS-MCS) was used for probabilistic analysis tool. It was found that, different structural reliability and sensitivity factors were obtained using different failure criteria. According to the results multiaxial fatigue criteria are the most significant criteria need to be considered in assessing all the structural behavior especially under complex loadings.
Probabilistic Assessments of the Plate Using Monte Carlo Simulation
Ismail, A. E.; Ariffin, A. K.; Abdullah, S.; Ghazali, M. J.
2011-02-01
This paper presents the probabilistic analysis of the plate with a hole using several multiaxial high cycle fatigue criteria (MHFC). Dang Van, Sines, Crossland criteria were used and von Mises criterion was also considered for comparison purpose. Parametric finite element model of the plate was developed and several important random variable parameters were selected and Latin Hypercube Sampling Monte-Carlo Simulation (LHS-MCS) was used for probabilistic analysis tool. It was found that, different structural reliability and sensitivity factors were obtained using different failure criteria. According to the results multiaxial fatigue criteria are the most significant criteria need to be considered in assessing all the structural behavior especially under complex loadings.
Monte Carlo simulations of charge transport in heterogeneous organic semiconductors
Aung, Pyie Phyo; Khanal, Kiran; Luettmer-Strathmann, Jutta
2015-03-01
The efficiency of organic solar cells depends on the morphology and electronic properties of the active layer. Research teams have been experimenting with different conducting materials to achieve more efficient solar panels. In this work, we perform Monte Carlo simulations to study charge transport in heterogeneous materials. We have developed a coarse-grained lattice model of polymeric photovoltaics and use it to generate active layers with ordered and disordered regions. We determine carrier mobilities for a range of conditions to investigate the effect of the morphology on charge transport.
New electron multiple scattering distributions for Monte Carlo transport simulation
Energy Technology Data Exchange (ETDEWEB)
Chibani, Omar (Haut Commissariat a la Recherche (C.R.S.), 2 Boulevard Franz Fanon, Alger B.P. 1017, Alger-Gare (Algeria)); Patau, Jean Paul (Laboratoire de Biophysique et Biomathematiques, Faculte des Sciences Pharmaceutiques, Universite Paul Sabatier, 35 Chemin des Maraichers, 31062 Toulouse cedex (France))
1994-10-01
New forms of electron (positron) multiple scattering distributions are proposed. The first is intended for use in the conditions of validity of the Moliere theory. The second distribution takes place when the electron path is so short that only few elastic collisions occur. These distributions are adjustable formulas. The introduction of some parameters allows impositions of the correct value of the first moment. Only positive and analytic functions were used in constructing the present expressions. This makes sampling procedures easier. Systematic tests are presented and some Monte Carlo simulations, as benchmarks, are carried out. ((orig.))
Quantifying uncertainties in primordial nucleosynthesis without Monte Carlo simulations
Fiorentini, G; Sarkar, S; Villante, F L
1998-01-01
We present a simple method for determining the (correlated) uncertainties of the light element abundances expected from big bang nucleosynthesis, which avoids the need for lengthy Monte Carlo simulations. Our approach helps to clarify the role of the different nuclear reactions contributing to a particular elemental abundance and makes it easy to implement energy-independent changes in the measured reaction rates. As an application, we demonstrate how this method simplifies the statistical estimation of the nucleon-to-photon ratio through comparison of the standard BBN predictions with the observationally inferred abundances.
Lattice Monte Carlo simulation of Galilei variant anomalous diffusion
Energy Technology Data Exchange (ETDEWEB)
Guo, Gang, E-mail: hndzgg@aliyun.com [School of Information System and Management, National University of Defense Technology, Changsha, 410073 (China); Institute of Computer Science, University of Rostock, Albert Einstein Str. 22, Rostock, 18059 (Germany); Bittig, Arne, E-mail: arne.bittig@uni-rostock.de [Institute of Computer Science, University of Rostock, Albert Einstein Str. 22, Rostock, 18059 (Germany); Uhrmacher, Adelinde, E-mail: lin@informatik.uni-rostock.de [Institute of Computer Science, University of Rostock, Albert Einstein Str. 22, Rostock, 18059 (Germany)
2015-05-01
The observation of an increasing number of anomalous diffusion phenomena motivates the study to reveal the actual reason for such stochastic processes. When it is difficult to get analytical solutions or necessary to track the trajectory of particles, lattice Monte Carlo (LMC) simulation has been shown to be particularly useful. To develop such an LMC simulation algorithm for the Galilei variant anomalous diffusion, we derive explicit solutions for the conditional and unconditional first passage time (FPT) distributions with double absorbing barriers. According to the theory of random walks on lattices and the FPT distributions, we propose an LMC simulation algorithm and prove that such LMC simulation can reproduce both the mean and the mean square displacement exactly in the long-time limit. However, the error introduced in the second moment of the displacement diverges according to a power law as the simulation time progresses. We give an explicit criterion for choosing a small enough lattice step to limit the error within the specified tolerance. We further validate the LMC simulation algorithm and confirm the theoretical error analysis through numerical simulations. The numerical results agree with our theoretical predictions very well.
Monte Carlo simulation of zinc protoporphyrin fluorescence in the retina
Chen, Xiaoyan; Lane, Stephen
2010-02-01
We have used Monte Carlo simulation of autofluorescence in the retina to determine that noninvasive detection of nutritional iron deficiency is possible. Nutritional iron deficiency (which leads to iron deficiency anemia) affects more than 2 billion people worldwide, and there is an urgent need for a simple, noninvasive diagnostic test. Zinc protoporphyrin (ZPP) is a fluorescent compound that accumulates in red blood cells and is used as a biomarker for nutritional iron deficiency. We developed a computational model of the eye, using parameters that were identified either by literature search, or by direct experimental measurement to test the possibility of detecting ZPP non-invasively in retina. By incorporating fluorescence into Steven Jacques' original code for multi-layered tissue, we performed Monte Carlo simulation of fluorescence in the retina and determined that if the beam is not focused on a blood vessel in a neural retina layer or if part of light is hitting the vessel, ZPP fluorescence will be 10-200 times higher than background lipofuscin fluorescence coming from the retinal pigment epithelium (RPE) layer directly below. In addition we found that if the light can be focused entirely onto a blood vessel in the neural retina layer, the fluorescence signal comes only from ZPP. The fluorescence from layers below in this second situation does not contribute to the signal. Therefore, the possibility that a device could potentially be built and detect ZPP fluorescence in retina looks very promising.
Utilizing Monte Carlo Simulations to Optimize Institutional Empiric Antipseudomonal Therapy
Directory of Open Access Journals (Sweden)
Sarah J. Tennant
2015-12-01
Full Text Available Pseudomonas aeruginosa is a common pathogen implicated in nosocomial infections with increasing resistance to a limited arsenal of antibiotics. Monte Carlo simulation provides antimicrobial stewardship teams with an additional tool to guide empiric therapy. We modeled empiric therapies with antipseudomonal β-lactam antibiotic regimens to determine which were most likely to achieve probability of target attainment (PTA of ≥90%. Microbiological data for P. aeruginosa was reviewed for 2012. Antibiotics modeled for intermittent and prolonged infusion were aztreonam, cefepime, meropenem, and piperacillin/tazobactam. Using minimum inhibitory concentrations (MICs from institution-specific isolates, and pharmacokinetic and pharmacodynamic parameters from previously published studies, a 10,000-subject Monte Carlo simulation was performed for each regimen to determine PTA. MICs from 272 isolates were included in this analysis. No intermittent infusion regimens achieved PTA ≥90%. Prolonged infusions of cefepime 2000 mg Q8 h, meropenem 1000 mg Q8 h, and meropenem 2000 mg Q8 h demonstrated PTA of 93%, 92%, and 100%, respectively. Prolonged infusions of piperacillin/tazobactam 4.5 g Q6 h and aztreonam 2 g Q8 h failed to achieved PTA ≥90% but demonstrated PTA of 81% and 73%, respectively. Standard doses of β-lactam antibiotics as intermittent infusion did not achieve 90% PTA against P. aeruginosa isolated at our institution; however, some prolonged infusions were able to achieve these targets.
Multidiscontinuity algorithm for world-line Monte Carlo simulations.
Kato, Yasuyuki
2013-01-01
We introduce a multidiscontinuity algorithm for the efficient global update of world-line configurations in Monte Carlo simulations of interacting quantum systems. This algorithm is a generalization of the two-discontinuity algorithms introduced in Refs. [N. Prokof'ev, B. Svistunov, and I. Tupitsyn, Phys. Lett. A 238, 253 (1998)] and [O. F. Syljuåsen and A. W. Sandvik, Phys. Rev. E 66, 046701 (2002)]. This generalization is particularly effective for studying Bose-Einstein condensates (BECs) of composite particles. In particular, we demonstrate the utility of the generalized algorithm by simulating a Hamiltonian for an S=1 antiferromagnet with strong uniaxial single-ion anisotropy. The multidiscontinuity algorithm not only solves the freezing problem that arises in this limit, but also allows the efficient computing of the off-diagonal correlator that characterizes a BEC of composite particles.
Markov chain Monte Carlo simulation for Bayesian Hidden Markov Models
Chan, Lay Guat; Ibrahim, Adriana Irawati Nur Binti
2016-10-01
A hidden Markov model (HMM) is a mixture model which has a Markov chain with finite states as its mixing distribution. HMMs have been applied to a variety of fields, such as speech and face recognitions. The main purpose of this study is to investigate the Bayesian approach to HMMs. Using this approach, we can simulate from the parameters' posterior distribution using some Markov chain Monte Carlo (MCMC) sampling methods. HMMs seem to be useful, but there are some limitations. Therefore, by using the Mixture of Dirichlet processes Hidden Markov Model (MDPHMM) based on Yau et. al (2011), we hope to overcome these limitations. We shall conduct a simulation study using MCMC methods to investigate the performance of this model.
Treatment planning in radiosurgery: parallel Monte Carlo simulation software
Energy Technology Data Exchange (ETDEWEB)
Scielzo, G. [Galliera Hospitals, Genova (Italy). Dept. of Hospital Physics; Grillo Ruggieri, F. [Galliera Hospitals, Genova (Italy) Dept. for Radiation Therapy; Modesti, M.; Felici, R. [Electronic Data System, Rome (Italy); Surridge, M. [University of South Hampton (United Kingdom). Parallel Apllication Centre
1995-12-01
The main objective of this research was to evaluate the possibility of direct Monte Carlo simulation for accurate dosimetry with short computation time. We made us of: graphics workstation, linear accelerator, water, PMMA and anthropomorphic phantoms, for validation purposes; ionometric, film and thermo-luminescent techniques, for dosimetry; treatment planning system for comparison. Benchmarking results suggest that short computing times can be obtained with use of the parallel version of EGS4 that was developed. Parallelism was obtained assigning simulation incident photons to separate processors, and the development of a parallel random number generator was necessary. Validation consisted in: phantom irradiation, comparison of predicted and measured values good agreement in PDD and dose profiles. Experiments on anthropomorphic phantoms (with inhomogeneities) were carried out, and these values are being compared with results obtained with the conventional treatment planning system.
Monte Carlo Simulation of Magnetization Behaviour of Co Nanowires
Institute of Scientific and Technical Information of China (English)
ZHONG Ke-Hua; HUANG Zhi-Gao; FENG Qian; JIANG Li-Qin; YANG Yan-Min; CHEN Zhi-Gao
2006-01-01
Based on the Monte Carlo method, we simulate the magnetization curves with various magnetic field orientations for various single Co nanowires at room temperature. The simulated switching field as a function of angle θ between the field and the wire axis is consistent well with the experimental data. Correspondingly, the coercivity as a function of angle θ is presented, which together with the switching field plays an important role on explaining the magnetic reversal mechanism. It is found that the angular dependence of coercivity depends on the diameter of nanowires, and the coercivity and switching field versus θ deviate markedly from the prediction from the classical uniform rotation mode in the chain-of-sphere model. Furthermore, the magnetic reversal configurations display that magnetization reversal in the wires with small diameters is a nucleation-propagation process, and it is similar to the curling spread process in the larger wires.
CORPORATE VALUATION USING TWO-DIMENSIONAL MONTE CARLO SIMULATION
Directory of Open Access Journals (Sweden)
Toth Reka
2010-12-01
Full Text Available In this paper, we have presented a corporate valuation model. The model combine several valuation methods in order to get more accurate results. To determine the corporate asset value we have used the Gordon-like two-stage asset valuation model based on the calculation of the free cash flow to the firm. We have used the free cash flow to the firm to determine the corporate market value, which was calculated with use of the Black-Scholes option pricing model in frame of the two-dimensional Monte Carlo simulation method. The combined model and the use of the two-dimensional simulation model provides a better opportunity for the corporate value estimation.
Quantitative application of Monte Carlo simulation in Fire-PSA
Energy Technology Data Exchange (ETDEWEB)
Mangs, J.; Hostikka, S.; Korhonen, T. [Valtion Teknillinen Tutkimuskeskus, Espoo (Finland); Keski-Rahkonen, O.
2007-05-15
In a power plant a fire cell forms the basic subunit. Since the fire is initially located there, the full-scale time dependent fire simulation and estimation of target response must be performed within the fire cell. Conditional, time dependent damage probabilities in a fire cell can now be calculated for arbitrary targets (component or a subsystem) combining probabilistic (Monte Carlo) and deterministic simulation. For the latter a spectrum from simple correlations up to latest computational fluid dynamics models is available. Selection of the code is made according to the requirements form the target cell. Although calculations are numerically heavy, it is now economically possible and feasible to carry out quantitative fire-PSA for a complete plant iteratively with the main PSA. From real applications examples are shown on assessment of fire spread possibility in a relay room, and potential of fire spread on cables in a tunnel. (orig.)
Monte Carlo simulation of electrical corona discharge in air
Energy Technology Data Exchange (ETDEWEB)
Settaouti, A.; Settaouti, L. [Electrotechnic Department, University of Sciences and Technology, P.O. Box 1505, El-M' naouar, Oran (Algeria)
2011-01-15
Electrical discharges play a key role in technologies; there are many industrial applications where the corona discharge is used. Air as insulator is probably the best compromise solution for many applications. All of this reflects on the great importance of the evaluation of the corona performance characteristics. Numerical simulation of the corona discharge helps to better understand the involved phenomena and optimize the corona devices. This paper is aimed at calculating the corona discharge in negative point-plane air gaps. To describe the non-equilibrium behavior of the electronic avalanches and to simulate the development of corona discharge the method of Monte Carlo has been used. This model provides the spatial-temporal local field and particles charged densities variations as well as the ionization front velocity. (author)
Monte Carlo simulations of nanoscale focused neon ion beam sputtering.
Timilsina, Rajendra; Rack, Philip D
2013-12-13
A Monte Carlo simulation is developed to model the physical sputtering of aluminum and tungsten emulating nanoscale focused helium and neon ion beam etching from the gas field ion microscope. Neon beams with different beam energies (0.5-30 keV) and a constant beam diameter (Gaussian with full-width-at-half-maximum of 1 nm) were simulated to elucidate the nanostructure evolution during the physical sputtering of nanoscale high aspect ratio features. The aspect ratio and sputter yield vary with the ion species and beam energy for a constant beam diameter and are related to the distribution of the nuclear energy loss. Neon ions have a larger sputter yield than the helium ions due to their larger mass and consequently larger nuclear energy loss relative to helium. Quantitative information such as the sputtering yields, the energy-dependent aspect ratios and resolution-limiting effects are discussed.
Virtual detector characterisation with Monte-Carlo simulations
Sukowski, F.; Yaneu Yaneu, J. F.; Salamon, M.; Ebert, S.; Uhlmann, N.
2009-08-01
In the field of X-ray imaging flat-panel detectors which convert X-rays into electrical signals, are widely used. For different applications, detectors differ in several specific parameters that can be used for characterizing the detector. At the Development Center X-ray Technology EZRT we studied the question how well these characteristics can be determined by only knowing the layer composition of a detector. In order to determine the required parameters, the Monte-Carlo (MC) simulation program ROSI [J. Giersch et al., Nucl. Instr. and Meth. A 509 (2003) 151] was used while taking into account all primary and secondary particle interactions as well as the focal spot size of the X-ray tube. For the study, the Hamamatsu C9311DK [Technical Datasheet Hamamatsu C9311DK flat panel sensor, Hamamatsu Photonics, ( www.hamamatsu.com)], a scintillator-based detector, and the Ajat DIC 100TL [Technical description of Ajat DIC 100TL, Ajat Oy Ltd., ( www.ajat.fi)], a direct converting semiconductor detector, were used. The layer compositions of the two detectors were implemented into the MC simulation program. The following characteristics were measured [N. Uhlmann et al., Nucl. Instr. and Meth. A 591 (2008) 46] and compared to simulation results: The basic spatial resolution (BSR), the modulation transfer function (MTF), the contrast sensitivity (CS) and the specific material thickness range (SMTR). To take scattering of optical photons into account DETECT2000 [C. Moisan et al., DETECT2000—A Program for Modeling Optical Properties of Scintillators, Department of Electrical and Computer Engineering, Laval University, Quebec City, 2000], another Monte-Carlo simulation was used.
Complete Monte Carlo Simulation of Neutron Scattering Experiments
Drosg, M.
2011-12-01
In the far past, it was not possible to accurately correct for the finite geometry and the finite sample size of a neutron scattering set-up. The limited calculation power of the ancient computers as well as the lack of powerful Monte Carlo codes and the limitation in the data base available then prevented a complete simulation of the actual experiment. Using e.g. the Monte Carlo neutron transport code MCNPX [1], neutron scattering experiments can be simulated almost completely with a high degree of precision using a modern PC, which has a computing power that is ten thousand times that of a super computer of the early 1970s. Thus, (better) corrections can also be obtained easily for previous published data provided that these experiments are sufficiently well documented. Better knowledge of reference data (e.g. atomic mass, relativistic correction, and monitor cross sections) further contributes to data improvement. Elastic neutron scattering experiments from liquid samples of the helium isotopes performed around 1970 at LANL happen to be very well documented. Considering that the cryogenic targets are expensive and complicated, it is certainly worthwhile to improve these data by correcting them using this comparatively straightforward method. As two thirds of all differential scattering cross section data of 3He(n,n)3He are connected to the LANL data, it became necessary to correct the dependent data measured in Karlsruhe, Germany, as well. A thorough simulation of both the LANL experiments and the Karlsruhe experiment is presented, starting from the neutron production, followed by the interaction in the air, the interaction with the cryostat structure, and finally the scattering medium itself. In addition, scattering from the hydrogen reference sample was simulated. For the LANL data, the multiple scattering corrections are smaller by a factor of five at least, making this work relevant. Even more important are the corrections to the Karlsruhe data due to the
Energy Technology Data Exchange (ETDEWEB)
Zwicky, Hans-Urs (Zwicky Consulting GmbH, Remigen (Switzerland)); Low, Jeanett; Ekeroth, Ella (Studsvik Nuclear AB, Nykoeping (Sweden))
2011-03-15
In the framework of comprehensive research work supporting the development of a Swedish concept for the disposal of highly radioactive waste and spent fuel, Studsvik has performed a significant number of spent fuel corrosion studies under a variety of different conditions. These experiments, performed between 1990 and 2002, covered a burnup range from 27 to 49 MWd/kgU, which was typical for fuel to be disposed at that time. As part of this work, the so called Series 11 tests were performed under oxidising conditions in synthetic groundwater with fuel samples from a rod irradiated in the Ringhals 1 Boiling Water Reactor (BWR). In the meantime, Swedish utilities tend to increase the discharge burnup of fuel operated in their reactors. This means that knowledge of spent fuel corrosion performance has to be extended to higher burnup as well. Therefore, a series of experiments has been started at Studsvik, aiming at extending the data base acquired in the Series 11 corrosion tests to higher burnup fuel. Fuel burnup leads to complex and significant changes in the composition and properties of the fuel. The transformed microstructure, which is referred to as the high burnup structure or rim structure in the outer region of the fuel, consists of small grains of submicron size and a high concentration of pores of typical diameter 1 to 2 mum. This structure forms in UO{sub 2} fuel at a local burnup above 50 MWd/kgU, as long as the temperature is below 1,000-1,100 deg C. The high burnup at the pellet periphery is the consequence of plutonium build-up by neutron capture in 238U followed by fission of the formed plutonium. The amount of fission products in the fuel increases more or less linearly with burnup, in contrast to alpha emitting actinides that increase above average. As burnup across a spent fuel pellet is not uniform, but increases towards the periphery, the radiation field is also larger at the pellet surface. At the same time, it is easier for water to access the
Monte Carlo simulation of gamma ray tomography for image reconstruction
Energy Technology Data Exchange (ETDEWEB)
Guedes, Karlos A.N.; Moura, Alex; Dantas, Carlos; Melo, Silvio; Lima, Emerson, E-mail: karlosguedes@hotmail.com [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil); Meric, Ilker [University of Bergen (Norway)
2015-07-01
The Monte Carlo simulations of known density and shape object was validate with Gamma Ray Tomography in static experiments. An aluminum half-moon piece placed inside a steel pipe was the MC simulation test object that was also measured by means of gamma ray transmission. Wall effect of the steel pipe due to irradiation geometry in a single pair source-detector tomography was evaluated by comparison with theoretical data. MCNPX code requires a defined geometry to each photon trajectory which practically prevents this usage for tomography reconstruction simulation. The solution was found by writing a program in Delphi language to create input files automation code. Simulations of tomography data by automated MNCPX code were carried out and validated by experimental data. Working in this sequence the produced data needed a databank to be stored. Experimental setup used a Cesium-137 isotopic radioactive source (7.4 × 109 Bq), and NaI(Tl) scintillation detector of (51 × 51) × 10−3 m crystal size coupled to a multichannel analyzer. A stainless steel tubes of 0,154 m internal diameter, 0.014 m thickness wall. The results show that the MCNPX simulation code adapted to automated input file is useful for generating a matrix data M(θ,t), of a computerized gamma ray tomography for any known density and regular shape object. Experimental validation used RMSE from gamma ray paths and from attenuation coefficient data. (author)
The impact of Monte Carlo simulation: a scientometric analysis of scholarly literature
Pia, Maria Grazia; Bell, Zane W; Dressendorfer, Paul V
2010-01-01
A scientometric analysis of Monte Carlo simulation and Monte Carlo codes has been performed over a set of representative scholarly journals related to radiation physics. The results of this study are reported and discussed. They document and quantitatively appraise the role of Monte Carlo methods and codes in scientific research and engineering applications.
Reaction Ensemble Monte Carlo Simulation of Complex Molecular Systems.
Rosch, Thomas W; Maginn, Edward J
2011-02-08
Acceptance rules for reaction ensemble Monte Carlo (RxMC) simulations containing classically modeled atomistic degrees of freedom are derived for complex molecular systems where insertions and deletions are achieved gradually by utilizing the continuous fractional component (CFC) method. A self-consistent manner in which to utilize statistical mechanical data contained in ideal gas free energy parameters during RxMC moves is presented. The method is tested by applying it to two previously studied systems containing intramolecular degrees of freedom: the propene metathesis reaction and methyl-tert-butyl-ether (MTBE) synthesis. Quantitative agreement is found between the current results and those of Keil et al. (J. Chem. Phys. 2005, 122, 164705) for the propene metathesis reaction. Differences are observed between the equilibrium concentrations of the present study and those of Lísal et al. (AIChE J. 2000, 46, 866-875) for the MTBE reaction. It is shown that most of this difference can be attributed to an incorrect formulation of the Monte Carlo acceptance rule. Efficiency gains using CFC MC as opposed to single stage molecule insertions are presented.
Kinetic Monte Carlo simulations of void lattice formation during irradiation
Heinisch, H. L.; Singh, B. N.
2003-11-01
Over the last decade, molecular dynamics simulations of displacement cascades have revealed that glissile clusters of self-interstitial crowdions are formed directly in cascades and that they migrate one-dimensionally along close-packed directions with extremely low activation energies. Occasionally, under various conditions, a crowdion cluster can change its Burgers vector and glide along a different close-packed direction. The recently developed production bias model (PBM) of microstructure evolution under irradiation has been structured specifically to take into account the unique properties of the vacancy and interstitial clusters produced in the cascades. Atomic-scale kinetic Monte Carlo (KMC) simulations have played a useful role in understanding the defect reaction kinetics of one-dimensionally migrating crowdion clusters as a function of the frequency of direction changes. This has made it possible to incorporate the migration properties of crowdion clusters and changes in reaction kinetics into the PBM. In the present paper we utilize similar KMC simulations to investigate the significant role that crowdion clusters can play in the formation and stability of void lattices. The creation of stable void lattices, starting from a random distribution of voids, is simulated by a KMC model in which vacancies migrate three-dimensionally and self-interstitial atom (SIA) clusters migrate one-dimensionally, interrupted by directional changes. The necessity of both one-dimensional migration and Burgers vectors changes of SIA clusters for the production of stable void lattices is demonstrated, and the effects of the frequency of Burgers vector changes are described.
Learning About Ares I from Monte Carlo Simulation
Hanson, John M.; Hall, Charlie E.
2008-01-01
This paper addresses Monte Carlo simulation analyses that are being conducted to understand the behavior of the Ares I launch vehicle, and to assist with its design. After describing the simulation and modeling of Ares I, the paper addresses the process used to determine what simulations are necessary, and the parameters that are varied in order to understand how the Ares I vehicle will behave in flight. Outputs of these simulations furnish a significant group of design customers with data needed for the development of Ares I and of the Orion spacecraft that will ride atop Ares I. After listing the customers, examples of many of the outputs are described. Products discussed in this paper include those that support structural loads analysis, aerothermal analysis, flight control design, failure/abort analysis, determination of flight performance reserve, examination of orbit insertion accuracy, determination of the Upper Stage impact footprint, analysis of stage separation, analysis of launch probability, analysis of first stage recovery, thrust vector control and reaction control system design, liftoff drift analysis, communications analysis, umbilical release, acoustics, and design of jettison systems.
Monte Carlo simulation of the spear reflectometer at LANSCE
Energy Technology Data Exchange (ETDEWEB)
Smith, G.S. [Los Alamos National Laboratory, NM (United States)
1995-12-31
The Monte Carlo instrument simulation code, MCLIB, contains elements to represent several components found in neutron spectrometers including slits, choppers, detectors, sources and various samples. Using these elements to represent the components of a neutron scattering instrument, one can simulate, for example, an inelastic spectrometer, a small angle scattering machine, or a reflectometer. In order to benchmark the code, we chose to compare simulated data from the MCLIB code with an actual experiment performed on the SPEAR reflectometer at LANSCE. This was done by first fitting an actual SPEAR data set to obtain the model scattering-length-density profile, {Beta}(z), for the sample and the substrate. Then these parameters were used as input values for the sample scattering function. A simplified model of SPEAR was chosen which contained all of the essential components of the instrument. A code containing the MCLIB subroutines was then written to simulate this simplified instrument. The resulting data was then fit and compared to the actual data set in terms of the statistics, resolution and accuracy.
A generic algorithm for Monte Carlo simulation of proton transport
Energy Technology Data Exchange (ETDEWEB)
Salvat, Francesc, E-mail: francesc.salvat@ub.edu
2013-12-01
A mixed (class II) algorithm for Monte Carlo simulation of the transport of protons, and other heavy charged particles, in matter is presented. The emphasis is on the electromagnetic interactions (elastic and inelastic collisions) which are simulated using strategies similar to those employed in the electron–photon code PENELOPE. Elastic collisions are described in terms of numerical differential cross sections (DCSs) in the center-of-mass frame, calculated from the eikonal approximation with the Dirac–Hartree–Fock–Slater atomic potential. The polar scattering angle is sampled by employing an adaptive numerical algorithm which allows control of interpolation errors. The energy transferred to the recoiling target atoms (nuclear stopping) is consistently described by transformation to the laboratory frame. Inelastic collisions are simulated from DCSs based on the plane–wave Born approximation (PWBA), making use of the Sternheimer–Liljequist model of the generalized oscillator strength, with parameters adjusted to reproduce (1) the electronic stopping power read from the input file, and (2) the total cross sections for impact ionization of inner subshells. The latter were calculated from the PWBA including screening and Coulomb corrections. This approach provides quite a realistic description of the energy-loss distribution in single collisions, and of the emission of X-rays induced by proton impact. The simulation algorithm can be readily modified to include nuclear reactions, when the corresponding cross sections and emission probabilities are available, and bremsstrahlung emission.
A generic algorithm for Monte Carlo simulation of proton transport
Salvat, Francesc
2013-12-01
A mixed (class II) algorithm for Monte Carlo simulation of the transport of protons, and other heavy charged particles, in matter is presented. The emphasis is on the electromagnetic interactions (elastic and inelastic collisions) which are simulated using strategies similar to those employed in the electron-photon code PENELOPE. Elastic collisions are described in terms of numerical differential cross sections (DCSs) in the center-of-mass frame, calculated from the eikonal approximation with the Dirac-Hartree-Fock-Slater atomic potential. The polar scattering angle is sampled by employing an adaptive numerical algorithm which allows control of interpolation errors. The energy transferred to the recoiling target atoms (nuclear stopping) is consistently described by transformation to the laboratory frame. Inelastic collisions are simulated from DCSs based on the plane-wave Born approximation (PWBA), making use of the Sternheimer-Liljequist model of the generalized oscillator strength, with parameters adjusted to reproduce (1) the electronic stopping power read from the input file, and (2) the total cross sections for impact ionization of inner subshells. The latter were calculated from the PWBA including screening and Coulomb corrections. This approach provides quite a realistic description of the energy-loss distribution in single collisions, and of the emission of X-rays induced by proton impact. The simulation algorithm can be readily modified to include nuclear reactions, when the corresponding cross sections and emission probabilities are available, and bremsstrahlung emission.
Non-Boltzmann Ensembles and Monte Carlo Simulations
Murthy, K. P. N.
2016-10-01
Boltzmann sampling based on Metropolis algorithm has been extensively used for simulating a canonical ensemble and for calculating macroscopic properties of a closed system at desired temperatures. An estimate of a mechanical property, like energy, of an equilibrium system, is made by averaging over a large number microstates generated by Boltzmann Monte Carlo methods. This is possible because we can assign a numerical value for energy to each microstate. However, a thermal property like entropy, is not easily accessible to these methods. The reason is simple. We can not assign a numerical value for entropy, to a microstate. Entropy is not a property associated with any single microstate. It is a collective property of all the microstates. Toward calculating entropy and other thermal properties, a non-Boltzmann Monte Carlo technique called Umbrella sampling was proposed some forty years ago. Umbrella sampling has since undergone several metamorphoses and we have now, multi-canonical Monte Carlo, entropic sampling, flat histogram methods, Wang-Landau algorithm etc. This class of methods generates non-Boltzmann ensembles which are un-physical. However, physical quantities can be calculated as follows. First un-weight a microstates of the entropic ensemble; then re-weight it to the desired physical ensemble. Carry out weighted average over the entropic ensemble to estimate physical quantities. In this talk I shall tell you of the most recent non- Boltzmann Monte Carlo method and show how to calculate free energy for a few systems. We first consider estimation of free energy as a function of energy at different temperatures to characterize phase transition in an hairpin DNA in the presence of an unzipping force. Next we consider free energy as a function of order parameter and to this end we estimate density of states g(E, M), as a function of both energy E, and order parameter M. This is carried out in two stages. We estimate g(E) in the first stage. Employing g
Direct simulation Monte Carlo schemes for Coulomb interactions in plasmas
Dimarco, Giacomo; Pareschi, Lorenzo
2010-01-01
We consider the development of Monte Carlo schemes for molecules with Coulomb interactions. We generalize the classic algorithms of Bird and Nanbu-Babovsky for rarefied gas dynamics to the Coulomb case thanks to the approximation introduced by Bobylev and Nanbu (Theory of collision algorithms for gases and plasmas based on the Boltzmann equation and the Landau-Fokker-Planck equation, Physical Review E, Vol. 61, 2000). Thus, instead of considering the original Boltzmann collision operator, the schemes are constructed through the use of an approximated Boltzmann operator. With the above choice larger time steps are possible in simulations; moreover the expensive acceptance-rejection procedure for collisions is avoided and every particle collides. Error analysis and comparisons with the original Bobylev-Nanbu (BN) scheme are performed. The numerical results show agreement with the theoretical convergence rate of the approximated Boltzmann operator and the better performance of Bird-type schemes with respect to t...
Monte Carlo modelling of Schottky diode for rectenna simulation
Bernuchon, E.; Aniel, F.; Zerounian, N.; Grimault-Jacquin, A. S.
2017-09-01
Before designing a detector circuit, the electrical parameters extraction of the Schottky diode is a critical step. This article is based on a Monte-Carlo (MC) solver of the Boltzmann Transport Equation (BTE) including different transport mechanisms at the metal-semiconductor contact such as image force effect or tunneling. The weight of tunneling and thermionic current is quantified according to different degrees of tunneling modelling. The I-V characteristic highlights the dependence of the ideality factor and the current saturation with bias. Harmonic Balance (HB) simulation on a rectifier circuit within Advanced Design System (ADS) software shows that considering non-linear ideality factor and saturation current for the electrical model of the Schottky diode does not seem essential. Indeed, bias independent values extracted in forward regime on I-V curve are sufficient. However, the non-linear series resistance extracted from a small signal analysis (SSA) strongly influences the conversion efficiency at low input powers.
Measuring Renyi entanglement entropy in quantum Monte Carlo simulations.
Hastings, Matthew B; González, Iván; Kallin, Ann B; Melko, Roger G
2010-04-16
We develop a quantum Monte Carlo procedure, in the valence bond basis, to measure the Renyi entanglement entropy of a many-body ground state as the expectation value of a unitary Swap operator acting on two copies of the system. An improved estimator involving the ratio of Swap operators for different subregions enables convergence of the entropy in a simulation time polynomial in the system size. We demonstrate convergence of the Renyi entropy to exact results for a Heisenberg chain. Finally, we calculate the scaling of the Renyi entropy in the two-dimensional Heisenberg model and confirm that the Néel ground state obeys the expected area law for systems up to linear size L=32.
Monte Carlo Simulation of Diamond Deposition at Low Temperature
Institute of Scientific and Technical Information of China (English)
董丽芳; 张玉红
2001-01-01
Diamond deposition at low temperatures is investigated and the relationship between substrate temperature for diamond growth and the energy of the carbonaceous species is given. The electron energy distribution and velocity distribution during the electron assisted chemical vapour deposition have been obtained by using Monte Carlo simulation. The main results obtained are as follows. (1) The substrate temperature for diamond growth will be lower than 800 C when the carbonaceous species on the substrate have mobility energy. For example, if the energy of the carbonaceous species is 0. 75 eV, the substrate temperature will be 380℃-600℃. (2) The greatnumber of atomic H on the substrate is of importance to the growth of diamond films.
Residual entropy of ice III from Monte Carlo simulation.
Kolafa, Jiří
2016-03-28
We calculated the residual entropy of ice III as a function of the occupation probabilities of hydrogen positions α and β assuming equal energies of all configurations. To do this, a discrete ice model with Bjerrum defect energy penalty and harmonic terms to constrain the occupation probabilities was simulated by the Metropolis Monte Carlo method for a range of temperatures and sizes followed by thermodynamic integration and extrapolation to N = ∞. Similarly as for other ices, the residual entropies are slightly higher than the mean-field (no-loop) approximation. However, the corrections caused by fluctuation of energies of ice samples calculated using molecular models of water are too large for accurate determination of the chemical potential and phase equilibria.
Monte Carlo simulations of landmine detection using neutron backscattering imaging
Energy Technology Data Exchange (ETDEWEB)
Datema, Cor P. E-mail: c.datema@iri.tudelft.nl; Bom, Victor R.; Eijk, Carel W.E. van
2003-11-01
Neutron backscattering is a technique that has successfully been applied to the detection of non-metallic landmines. Most of the effort in this field has concentrated on single detectors that are scanned across the soil. Here, two new approaches are presented in which a two-dimensional image of the hydrogen distribution in the soil is made. The first method uses an array of position-sensitive {sup 3}He-tubes that is placed in close proximity of the soil. The second method is based on coded aperture imaging. Here, thermal neutrons from the soil are projected onto a detector which is typically placed one to several meters above the soil. Both methods use a pulsed D/D neutron source. The Monte Carlo simulation package GEANT 4 was used to investigate the performance of both imaging systems.
Sensitivity analysis for oblique incidence reflectometry using Monte Carlo simulations
DEFF Research Database (Denmark)
Kamran, Faisal; Andersen, Peter E.
2015-01-01
Oblique incidence reflectometry has developed into an effective, noncontact, and noninvasive measurement technology for the quantification of both the reduced scattering and absorption coefficients of a sample. The optical properties are deduced by analyzing only the shape of the reflectance...... profiles. This article presents a sensitivity analysis of the technique in turbid media. Monte Carlo simulations are used to investigate the technique and its potential to distinguish the small changes between different levels of scattering. We present various regions of the dynamic range of optical...... properties in which system demands vary to be able to detect subtle changes in the structure of the medium, translated as measured optical properties. Effects of variation in anisotropy are discussed and results presented. Finally, experimental data of milk products with different fat content are considered...
Monte Carlo simulations of ABC stacked kagome lattice films.
Yerzhakov, H V; Plumer, M L; Whitehead, J P
2016-05-18
Properties of films of geometrically frustrated ABC stacked antiferromagnetic kagome layers are examined using Metropolis Monte Carlo simulations. The impact of having an easy-axis anisotropy on the surface layers and cubic anisotropy in the interior layers is explored. The spin structure at the surface is shown to be different from that of the bulk 3D fcc system, where surface axial anisotropy tends to align spins along the surface [1 1 1] normal axis. This alignment then propagates only weakly to the interior layers through exchange coupling. Results are shown for the specific heat, magnetization and sub-lattice order parameters for both surface and interior spins in three and six layer films as a function of increasing axial surface anisotropy. Relevance to the exchange bias phenomenon in IrMn3 films is discussed.
Monte Carlo simulations and benchmark studies at CERN's accelerator chain
AUTHOR|(CDS)2083190; Brugger, Markus
2016-01-01
Mixed particle and energy radiation fields present at the Large Hadron Collider (LHC) and its accelerator chain are responsible for failures on electronic devices located in the vicinity of the accelerator beam lines. These radiation effects on electronics and, more generally, the overall radiation damage issues have a direct impact on component and system lifetimes, as well as on maintenance requirements and radiation exposure to personnel who have to intervene and fix existing faults. The radiation environments and respective radiation damage issues along the CERN’s accelerator chain were studied in the framework of the CERN Radiation to Electronics (R2E) project and are hereby presented. The important interplay between Monte Carlo simulations and radiation monitoring is also highlighted.
Monte Carlo simulations of ABC stacked kagome lattice films
Yerzhakov, H. V.; Plumer, M. L.; Whitehead, J. P.
2016-05-01
Properties of films of geometrically frustrated ABC stacked antiferromagnetic kagome layers are examined using Metropolis Monte Carlo simulations. The impact of having an easy-axis anisotropy on the surface layers and cubic anisotropy in the interior layers is explored. The spin structure at the surface is shown to be different from that of the bulk 3D fcc system, where surface axial anisotropy tends to align spins along the surface [1 1 1] normal axis. This alignment then propagates only weakly to the interior layers through exchange coupling. Results are shown for the specific heat, magnetization and sub-lattice order parameters for both surface and interior spins in three and six layer films as a function of increasing axial surface anisotropy. Relevance to the exchange bias phenomenon in IrMn3 films is discussed.
Monte Carlo simulations of systems with complex energy landscapes
Wüst, T.; Landau, D. P.; Gervais, C.; Xu, Y.
2009-04-01
Non-traditional Monte Carlo simulations are a powerful approach to the study of systems with complex energy landscapes. After reviewing several of these specialized algorithms we shall describe the behavior of typical systems including spin glasses, lattice proteins, and models for "real" proteins. In the Edwards-Anderson spin glass it is now possible to produce probability distributions in the canonical ensemble and thermodynamic results of high numerical quality. In the hydrophobic-polar (HP) lattice protein model Wang-Landau sampling with an improved move set (pull-moves) produces results of very high quality. These can be compared with the results of other methods of statistical physics. A more realistic membrane protein model for Glycophorin A is also examined. Wang-Landau sampling allows the study of the dimerization process including an elucidation of the nature of the process.
MONTE CARLO SIMULATION OF MULTIFOCAL STOCHASTIC SCANNING SYSTEM
Directory of Open Access Journals (Sweden)
LIXIN LIU
2014-01-01
Full Text Available Multifocal multiphoton microscopy (MMM has greatly improved the utilization of excitation light and imaging speed due to parallel multiphoton excitation of the samples and simultaneous detection of the signals, which allows it to perform three-dimensional fast fluorescence imaging. Stochastic scanning can provide continuous, uniform and high-speed excitation of the sample, which makes it a suitable scanning scheme for MMM. In this paper, the graphical programming language — LabVIEW is used to achieve stochastic scanning of the two-dimensional galvo scanners by using white noise signals to control the x and y mirrors independently. Moreover, the stochastic scanning process is simulated by using Monte Carlo method. Our results show that MMM can avoid oversampling or subsampling in the scanning area and meet the requirements of uniform sampling by stochastically scanning the individual units of the N × N foci array. Therefore, continuous and uniform scanning in the whole field of view is implemented.
Effect of doping of graphene structure: A Monte Carlo simulations
Masrour, R.; Jabar, A.
2016-10-01
In this work, we have studied the effect of magnetic atom doping of graphene structure using Monte Carlo simulation. The reduced critical temperature with the magnetic atom doping x has been deduced from the thermal variation of magnetization and magnetic susceptibility. The variation of magnetization versus the crystal field of grapheme structure for different x and for different reduced temperatures has been established. We also have measured the coercive field (hC) as a function x in grapheme structure, finding that hC increases with increasing x concentration as predicted experimentally. The doping-induced magnetism in graphene. Magnetically atom doping in graphene systems are potential candidates for application in future spintronic devices, magnetometry requires macroscopic quantities of graphene to detect magnetic moments directly.
Hybrid Multilevel Monte Carlo Simulation of Stochastic Reaction Networks
Moraes, Alvaro
2015-01-07
Stochastic reaction networks (SRNs) is a class of continuous-time Markov chains intended to describe, from the kinetic point of view, the time-evolution of chemical systems in which molecules of different chemical species undergo a finite set of reaction channels. This talk is based on articles [4, 5, 6], where we are interested in the following problem: given a SRN, X, defined though its set of reaction channels, and its initial state, x0, estimate E (g(X(T))); that is, the expected value of a scalar observable, g, of the process, X, at a fixed time, T. This problem lead us to define a series of Monte Carlo estimators, M, such that, with high probability can produce values close to the quantity of interest, E (g(X(T))). More specifically, given a user-selected tolerance, TOL, and a small confidence level, η, find an estimator, M, based on approximate sampled paths of X, such that, P (|E (g(X(T))) − M| ≤ TOL) ≥ 1 − η; even more, we want to achieve this objective with near optimal computational work. We first introduce a hybrid path-simulation scheme based on the well-known stochastic simulation algorithm (SSA)[3] and the tau-leap method [2]. Then, we introduce a Multilevel Monte Carlo strategy that allows us to achieve a computational complexity of order O(T OL−2), this is the same computational complexity as in an exact method but with a smaller constant. We provide numerical examples to show our results.
Monte Carlo simulation of ICRF discharge initiation in ITER
Tripský, M.; Wauters, T.; Lyssoivan, A.; Křivská, A.; Louche, F.; Van Schoor, M.; Noterdaeme, J.-M.
2015-12-01
Discharges produced and sustained by ion cyclotron range of frequency (ICRF) waves in absence of plasma current will be used on ITER for (ion cyclotron-) wall conditioning (ICWC). The here presented simulations aim at ensuring that the ITER ICRH&CD system can be safely employed for ICWC and at finding optimal parameters to initiate the plasma. The 1D Monte Carlo code RFdinity1D3V was developed to simulate ICRF discharge initiation. The code traces the electron motion along one toroidal magnetic field line, accelerated by the RF field in front of the ICRF antenna. Electron collisions in the calculations are handled by a Monte Carlo procedure taking into account their energies and the related electron collision cross sections for collisions with H2, H2+ and H+. The code also includes Coulomb collisions between electrons and ions (e - e, e - H2+ , e - H+). We study the electron multiplication rate as a function of the RF discharge parameters (i) antenna input power (0.1-5MW), and (ii) the neutral pressure (H2) for two antenna phasing (monopole [0000]-phasing and small dipole [0π0π]-phasing). Furthermore, we investigate the electron multiplication rate dependency on the distance from the antenna straps. This radial dependency results from the decreasing electric amplitude and field smoothening with increasing distance from the antenna straps. The numerical plasma breakdown definition used in the code corresponds to the moment when a critical electron density nec for the low hybrid resonance (ω = ωLHR) is reached. This numerical definition was previously found in qualitative agreement with experimental breakdown times obtained from the literature and from experiments on the ASDEX Upgrade and TEXTOR.
Energy Technology Data Exchange (ETDEWEB)
Hartanto, Donny; Heo, Woong; Kim, Chi Hyung; Kim, Yong Hee [Dept. of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon (Korea, Republic of)
2016-04-15
The U-Zr or U-TRU-Zr cylindrical metallic fuel slug used in fast reactors is known to swell significantly and to grow during irradiation. In neutronics simulations of metallic-fueled fast reactors, it is assumed that the slug has swollen and contacted cladding, and the bonding sodium has been removed from the fuel region. In this research, a realistic burnup-dependent fuel-swelling simulation was performed using Monte Carlo code McCARD for a single-batch compact sodium-cooled breed-and-burn reactor by considering the fuel-swelling behavior reported from the irradiation test results in EBR-II. The impacts of the realistic burnup-dependent fuel swelling are identified in terms of the reactor neutronics performance, such as core lifetime, conversion ratio, axial power distribution, and local burnup distributions. It was found that axial fuel growth significantly deteriorated the neutron economy of a breed-and-burn reactor and consequently impaired its neutronics performance. The bonding sodium also impaired neutron economy, because it stayed longer in the blanket region until the fuel slug reached 2% burnup.
Efficiency in nonequilibrium molecular dynamics Monte Carlo simulations
Radak, Brian K.; Roux, Benoît
2016-10-01
Hybrid algorithms combining nonequilibrium molecular dynamics and Monte Carlo (neMD/MC) offer a powerful avenue for improving the sampling efficiency of computer simulations of complex systems. These neMD/MC algorithms are also increasingly finding use in applications where conventional approaches are impractical, such as constant-pH simulations with explicit solvent. However, selecting an optimal nonequilibrium protocol for maximum efficiency often represents a non-trivial challenge. This work evaluates the efficiency of a broad class of neMD/MC algorithms and protocols within the theoretical framework of linear response theory. The approximations are validated against constant pH-MD simulations and shown to provide accurate predictions of neMD/MC performance. An assessment of a large set of protocols confirms (both theoretically and empirically) that a linear work protocol gives the best neMD/MC performance. Finally, a well-defined criterion for optimizing the time parameters of the protocol is proposed and demonstrated with an adaptive algorithm that improves the performance on-the-fly with minimal cost.
Scalable Metropolis Monte Carlo for simulation of hard shapes
Anderson, Joshua A.; Eric Irrgang, M.; Glotzer, Sharon C.
2016-07-01
We design and implement a scalable hard particle Monte Carlo simulation toolkit (HPMC), and release it open source as part of HOOMD-blue. HPMC runs in parallel on many CPUs and many GPUs using domain decomposition. We employ BVH trees instead of cell lists on the CPU for fast performance, especially with large particle size disparity, and optimize inner loops with SIMD vector intrinsics on the CPU. Our GPU kernel proposes many trial moves in parallel on a checkerboard and uses a block-level queue to redistribute work among threads and avoid divergence. HPMC supports a wide variety of shape classes, including spheres/disks, unions of spheres, convex polygons, convex spheropolygons, concave polygons, ellipsoids/ellipses, convex polyhedra, convex spheropolyhedra, spheres cut by planes, and concave polyhedra. NVT and NPT ensembles can be run in 2D or 3D triclinic boxes. Additional integration schemes permit Frenkel-Ladd free energy computations and implicit depletant simulations. In a benchmark system of a fluid of 4096 pentagons, HPMC performs 10 million sweeps in 10 min on 96 CPU cores on XSEDE Comet. The same simulation would take 7.6 h in serial. HPMC also scales to large system sizes, and the same benchmark with 16.8 million particles runs in 1.4 h on 2048 GPUs on OLCF Titan.
Monte Carlo simulation of electron back diffusion in argon
Radmilović, M.; Stojanović, V.; Petrović, Z. Lj.
1999-10-01
Monte Carlo simulation was applied to study the back-diffusion of electrons in argon at low and moderate values of E/N from 10Td to 10 kTd. Simulations were performed for gaps of 1 cm and for pressures corresponding to the breakdown voltages taken from experimental Paschen curves. Effects of inelastic collisions, ionization, reflection of electrons and anisotropic scattering as well as anisotropic initial and reflected angular distributions of electrons were included. A complete and detailed set of electron scattering cross sections that describes well electron transport in argon was used. We found a very good agreement of the results of simulations with the experimental data for well defined initial conditions, and with several models available in the literature.(A.V. Phelps and Z.LJ. Petrović), Plasma Sources Sci. Tehnol. 8, R21 (1999). While effect of reflection may be large, for realistic values of reflection coefficient and for realistic secondary electron productions the effect may be neglected for the accuracy required in gas discharge modeling.
Kinetic Monte Carlo simulation of thin film growth
Institute of Scientific and Technical Information of China (English)
ZHANG; Peifeng(张佩峰); ZHENG; Xiaoping(郑小平); HE; Deyan(贺德衍)
2003-01-01
A three-dimensional kinetic Monte Carlo technique has been developed for simulating growth of thin Cu films. The model involves incident atom attachment, diffusion of the atoms on the growing surface, and detachment of the atoms from the growing surface. The related effect by surface atom diffusion was taken into account. A great improvement was made on calculation of the activation energy for atom diffusion based on a reasonable assumption of interaction potential between atoms. The surface roughness and the relative density of the films were simulated as the functions of growth substrate temperature and film thickness. The results showed that there exists an optimum growth temperature Topt at a given deposition rate. When the substrate temperature approaches to Topt, the growing surface becomes smoothing and the relative density of the films increases. The surface roughness minimizes and the relative density saturates at Topt. The surface roughness increases with an increment of substrate temperature when the temperature is higher than Topt. Topt iS a function of the deposition rate and the influence of the deposition rate on the surface roughness depends on the substrate temperatures. The simulation results also showed that the relative density decreases with the increasing of the deposition rate and the average thickness of the film.
Monte Carlo Simulation Of Emission Tomography And Other Medical Imaging Techniques
Harrison, Robert L.
2010-01-01
An introduction to Monte Carlo simulation of emission tomography. This paper reviews the history and principles of Monte Carlo simulation, then applies these principles to emission tomography using the public domain simulation package SimSET (a Simulation System for Emission Tomography) as an example. Finally, the paper discusses how the methods are modified for X-ray computed tomography and radiotherapy simulations. PMID:20733931
Pia, Maria Grazia; Lechner, Anton; Quintieri, Lina; Saracco, Paolo
2010-01-01
The issue of how epistemic uncertainties affect the outcome of Monte Carlo simulation is discussed by means of a concrete use case: the simulation of the longitudinal energy deposition profile of low energy protons. A variety of electromagnetic and hadronic physics models is investigated, and their effects are analyzed. Possible systematic effects are highlighted. The results identify requirements for experimental measurements capable of reducing epistemic uncertainties in the physics models.
Improving PWR core simulations by Monte Carlo uncertainty analysis and Bayesian inference
Castro, Emilio; Buss, Oliver; Garcia-Herranz, Nuria; Hoefer, Axel; Porsch, Dieter
2016-01-01
A Monte Carlo-based Bayesian inference model is applied to the prediction of reactor operation parameters of a PWR nuclear power plant. In this non-perturbative framework, high-dimensional covariance information describing the uncertainty of microscopic nuclear data is combined with measured reactor operation data in order to provide statistically sound, well founded uncertainty estimates of integral parameters, such as the boron letdown curve and the burnup-dependent reactor power distribution. The performance of this methodology is assessed in a blind test approach, where we use measurements of a given reactor cycle to improve the prediction of the subsequent cycle. As it turns out, the resulting improvement of the prediction quality is impressive. In particular, the prediction uncertainty of the boron letdown curve, which is of utmost importance for the planning of the reactor cycle length, can be reduced by one order of magnitude by including the boron concentration measurement information of the previous...
Monte Carlo Simulation and Experimental Characterization of a Dual Head Gamma Camera
Rodrigues, S; Abreu, M C; Santos, N; Rato-Mendes, P; Peralta, L
2007-01-01
The GEANT4 Monte Carlo simulation and experimental characterization of the Siemens E.Cam Dual Head gamma camera hosted in the Particular Hospital of Algarve have been done. Imaging tests of thyroid and other phantoms have been made "in situ" and compared with the results obtained with the Monte Carlo simulation.
CONDENSED MONTE-CARLO SIMULATIONS FOR THE DESCRIPTION OF LIGHT TRANSPORT
GRAAFF, R; KOELINK, MH; DEMUL, FFM; ZIJLSTRA, WG; DASSEL, ACM; AARNOUDSE, JG
1993-01-01
A novel method, condensed Monte Carlo simulation, is presented that applies the results of a single Monte Carlo simulation for a given albedo mu(s)/(mu(a) + mu(s)) to obtaining results for other albedos; mu(s) and mu(a) are the scattering and absorption coefficients, respectively. The method require
Institute of Scientific and Technical Information of China (English)
万文应; 夏庆
2015-01-01
With the illustration of a specific problem, this paper demonstrates that using Monte Carlo Simulation technology will improve intuitive effect of teaching Probability and Mathematical Statistics course, and save instructors’ effort as well.And it is estimated that Monte Carlo Simulation technology will be one of the major teaching methods for Probability and Mathematical Statistics course in the future.
Monte Carlo Simulation for LINAC Standoff Interrogation of Nuclear Material
Energy Technology Data Exchange (ETDEWEB)
Clarke, Shaun D [ORNL; Flaska, Marek [ORNL; Miller, Thomas Martin [ORNL; Protopopescu, Vladimir A [ORNL; Pozzi, Sara A [ORNL
2007-06-01
The development of new techniques for the interrogation of shielded nuclear materials relies on the use of Monte Carlo codes to accurately simulate the entire system, including the interrogation source, the fissile target and the detection environment. The objective of this modeling effort is to develop analysis tools and methods-based on a relevant scenario-which may be applied to the design of future systems for active interrogation at a standoff. For the specific scenario considered here, the analysis will focus on providing the information needed to determine the type and optimum position of the detectors. This report describes the results of simulations for a detection system employing gamma rays to interrogate fissile and nonfissile targets. The simulations were performed using specialized versions of the codes MCNPX and MCNP-PoliMi. Both prompt neutron and gamma ray and delayed neutron fluxes have been mapped in three dimensions. The time dependence of the prompt neutrons in the system has also been characterized For this particular scenario, the flux maps generated with the Monte Carlo model indicate that the detectors should be placed approximately 50 cm behind the exit of the accelerator, 40 cm away from the vehicle, and 150 cm above the ground. This position minimizes the number of neutrons coming from the accelerator structure and also receives the maximum flux of prompt neutrons coming from the source. The lead shielding around the accelerator minimizes the gamma-ray background from the accelerator in this area. The number of delayed neutrons emitted from the target is approximately seven orders of magnitude less than the prompt neutrons emitted from the system. Therefore, in order to possibly detect the delayed neutrons, the detectors should be active only after all prompt neutrons have scattered out of the system. Preliminary results have shown this time to be greater than 5 ?s after the accelerator pulse. This type of system is illustrative of a
Optimizing the HLT Buffer Strategy with Monte Carlo Simulations
AUTHOR|(CDS)2266763
2017-01-01
This project aims to optimize the strategy of utilizing the disk buffer for the High Level Trigger (HLT) of the LHCb experiment with the help of Monte-Carlo simulations. A method is developed, which simulates the Event Filter Farm (EFF) -- a computing cluster for the High Level Trigger -- as a compound of nodes with different performance properties. In this way, the behavior of the computing farm can be analyzed at a deeper level than before. It is demonstrated that the current operating strategy might be improved when data taking is reaching a mid-year scheduled stop or the year-end technical stop. The processing time of the buffered data can be lowered by distributing the detector data according to the processing power of the nodes instead of the relative disk size as long as the occupancy level of the buffer is low enough. Moreover, this ensures that data taken and stored on the buffer at the same time is processed by different nodes nearly simultaneously, which reduces load on the infrastructure.
Parallelization of a Monte Carlo particle transport simulation code
Hadjidoukas, P.; Bousis, C.; Emfietzoglou, D.
2010-05-01
We have developed a high performance version of the Monte Carlo particle transport simulation code MC4. The original application code, developed in Visual Basic for Applications (VBA) for Microsoft Excel, was first rewritten in the C programming language for improving code portability. Several pseudo-random number generators have been also integrated and studied. The new MC4 version was then parallelized for shared and distributed-memory multiprocessor systems using the Message Passing Interface. Two parallel pseudo-random number generator libraries (SPRNG and DCMT) have been seamlessly integrated. The performance speedup of parallel MC4 has been studied on a variety of parallel computing architectures including an Intel Xeon server with 4 dual-core processors, a Sun cluster consisting of 16 nodes of 2 dual-core AMD Opteron processors and a 200 dual-processor HP cluster. For large problem size, which is limited only by the physical memory of the multiprocessor server, the speedup results are almost linear on all systems. We have validated the parallel implementation against the serial VBA and C implementations using the same random number generator. Our experimental results on the transport and energy loss of electrons in a water medium show that the serial and parallel codes are equivalent in accuracy. The present improvements allow for studying of higher particle energies with the use of more accurate physical models, and improve statistics as more particles tracks can be simulated in low response time.
Monte Carlo simulation of virus introduction into the Netherlands.
Horst, H S; Dijkhuizen, A A; Huirne, R B; Meuwissen, M P
1999-07-20
In order to improve the understanding of the risk of introducing classical swine fever (CSF) and foot-and-mouth disease (FMD) into the Netherlands, a Monte Carlo simulation model was developed. The model, VIRiS (Virus Introduction Risk Simulation model) describes virus introduction into the Netherlands from outbreaks in other European countries. VIRiS is aimed at supporting decision makers involved in disease prevention. The model is based on historical and experimental data, supplemented with expert judgement, and provides the expected number, location and cause of primary outbreaks in the Netherlands. The paper gives a detailed description of the design and behaviour of VIRiS. The default outcomes of VIRiS show that in the current situation, the western and northern regions of the Netherlands are most prone to outbreaks of CSF and FMD. Most outbreaks originate from the countries neighbouring the Netherlands and the countries of southern Europe. Several alternative prevention strategies were evaluated using a combination of the VIRiS model and models describing the spread and economic consequences of outbreaks. A considerable financial window is available for measures aimed at speeding up the detection of epidemics in countries from which a Dutch outbreak may originate. Complete elimination of the risk associated with the risk factor 'returning trucks' reduces the annual losses due to FMD and CSF epidemics by approximately US$ 9 million. The approach is general and could also be applied to other diseases and countries.
Optimizing Muscle Parameters in Musculoskeletal Modeling Using Monte Carlo Simulations
Hanson, Andrea; Reed, Erik; Cavanagh, Peter
2011-01-01
Astronauts assigned to long-duration missions experience bone and muscle atrophy in the lower limbs. The use of musculoskeletal simulation software has become a useful tool for modeling joint and muscle forces during human activity in reduced gravity as access to direct experimentation is limited. Knowledge of muscle and joint loads can better inform the design of exercise protocols and exercise countermeasure equipment. In this study, the LifeModeler(TM) (San Clemente, CA) biomechanics simulation software was used to model a squat exercise. The initial model using default parameters yielded physiologically reasonable hip-joint forces. However, no activation was predicted in some large muscles such as rectus femoris, which have been shown to be active in 1-g performance of the activity. Parametric testing was conducted using Monte Carlo methods and combinatorial reduction to find a muscle parameter set that more closely matched physiologically observed activation patterns during the squat exercise. Peak hip joint force using the default parameters was 2.96 times body weight (BW) and increased to 3.21 BW in an optimized, feature-selected test case. The rectus femoris was predicted to peak at 60.1% activation following muscle recruitment optimization, compared to 19.2% activation with default parameters. These results indicate the critical role that muscle parameters play in joint force estimation and the need for exploration of the solution space to achieve physiologically realistic muscle activation.
Direct determination of liquid phase coexistence by Monte Carlo simulations.
Zweistra, Henk J A; Besseling, N A M
2006-07-01
A formalism to determine coexistence points by means of Monte Carlo simulations is presented. The general idea of the method is to perform a simulation simultaneously in several unconnected boxes which can exchange particles. At equilibrium, most of the boxes will be occupied by a homogeneous phase. The compositions of these boxes yield coexisting points on the binodal. However, since the overall composition is fixed, at least one of the boxes will contain an interface. We show that this does not affect the results, provided that the interface has no net curvature. We coin the name "Helmholtz-ensemble method," because the method is related to the well-known Gibbs-ensemble method, but the volume of the boxes is constant. Since the box volumes are constant, we expect that this method will be particularly useful for lattice models. The accuracy of the Helmholtz-ensemble method is benchmarked against known coexistence curves of the three-dimensional Ising model with excellent results.
Parallel cluster labeling for large-scale Monte Carlo simulations
Flanigan, M; Flanigan, M; Tamayo, P
1995-01-01
We present an optimized version of a cluster labeling algorithm previously introduced by the authors. This algorithm is well suited for large-scale Monte Carlo simulations of spin models using cluster dynamics on parallel computers with large numbers of processors. The algorithm divides physical space into rectangular cells which are assigned to processors and combines a serial local labeling procedure with a relaxation process across nearest-neighbor processors. By controlling overhead and reducing inter-processor communication this method attains good computational speed-up and efficiency. Large systems of up to 65536 X 65536 spins have been simulated at updating speeds of 11 nanosecs/site (90.7 million spin updates/sec) using state-of-the-art supercomputers. In the second part of the article we use the cluster algorithm to study the relaxation of magnetization and energy on large Ising models using Swendsen-Wang dynamics. We found evidence that exponential and power law factors are present in the relaxatio...
Monte Carlo Simulations of Cosmic Rays Hadronic Interactions
Energy Technology Data Exchange (ETDEWEB)
Aguayo Navarrete, Estanislao; Orrell, John L.; Kouzes, Richard T.
2011-04-01
This document describes the construction and results of the MaCoR software tool, developed to model the hadronic interactions of cosmic rays with different geometries of materials. The ubiquity of cosmic radiation in the environment results in the activation of stable isotopes, referred to as cosmogenic activities. The objective is to use this application in conjunction with a model of the MAJORANA DEMONSTRATOR components, from extraction to deployment, to evaluate cosmogenic activation of such components before and after deployment. The cosmic ray showers include several types of particles with a wide range of energy (MeV to GeV). It is infeasible to compute an exact result with a deterministic algorithm for this problem; Monte Carlo simulations are a more suitable approach to model cosmic ray hadronic interactions. In order to validate the results generated by the application, a test comparing experimental muon flux measurements and those predicted by the application is presented. The experimental and simulated results have a deviation of 3%.
Monte Carlo simulation of the PEMFC catalyst layer
Institute of Scientific and Technical Information of China (English)
WANG Hongxing; CAO Pengzhen; WANG Yuxin
2007-01-01
The performance of the polymer electrolyte membrane fuel cell (PEMFC) is greatly controlled by the structure of the catalyst layer.Low catalyst utilization is still a significant obstacle to the commercialization of the PEMFC.In order to get a fundamental understanding of the electrode structure and to find the limiting factor in the low catalyst utilization,it is necessary to develop the mechanical model on the effect of catalyst layer structure on the catalyst utilization and the performance of the PEMFC.In this work,the structure of the catalyst layer is studied based on the lattice model with the Monte Carlo simulation.The model can predict the effects of some catalyst layer components,such as Pt/C catalyst,electrolyte and gas pores,on the utilization of the catalyst and the cell performance.The simulation result shows that the aggregation of conduction grains can greatly affect the degree of catalyst utilization.The better the dispersion of the conduction grains,the larger the total effective area of the catalyst is.To achieve higher utilization,catalyst layer components must be distributed by means of engineered design,which can prevent aggregation.
The Monte Carlo Simulation Method for System Reliability and Risk Analysis
Zio, Enrico
2013-01-01
Monte Carlo simulation is one of the best tools for performing realistic analysis of complex systems as it allows most of the limiting assumptions on system behavior to be relaxed. The Monte Carlo Simulation Method for System Reliability and Risk Analysis comprehensively illustrates the Monte Carlo simulation method and its application to reliability and system engineering. Readers are given a sound understanding of the fundamentals of Monte Carlo sampling and simulation and its application for realistic system modeling. Whilst many of the topics rely on a high-level understanding of calculus, probability and statistics, simple academic examples will be provided in support to the explanation of the theoretical foundations to facilitate comprehension of the subject matter. Case studies will be introduced to provide the practical value of the most advanced techniques. This detailed approach makes The Monte Carlo Simulation Method for System Reliability and Risk Analysis a key reference for senior undergra...
Energy Technology Data Exchange (ETDEWEB)
Kereszturi, Andras [Hungarian Academy of Sciences, Budapest (Hungary). Centre for Energy Research; Panka, Istvan
2015-09-15
Defining precisely the burnup of the nuclear fuel is important from the point of view of core design calculations, safety analyses, criticality calculations (e.g. burnup credit calculations), etc. This paper deals with the uncertainties of MULTICELL calculations obtained by the solution of the OECD NEA UAM PWR pin cell burnup benchmark. In this assessment Monte-Carlo type statistical analyses are applied and the energy dependent covariance matrices of the cross-sections are taken into account. Additionally, the impact of the uncertainties of the fission yields is also considered. The target quantities are the burnup dependent uncertainties of the infinite multiplication factor, the two-group cross-sections, the reaction rates and the number densities of some isotopes up to the burnup of 60 MWd/kgU. In the paper the burnup dependent tendencies of the corresponding uncertainties and their sources are analyzed.
Monte Carlo simulations to replace film dosimetry in IMRT verification.
Goetzfried, Thomas; Rickhey, Mark; Treutwein, Marius; Koelbl, Oliver; Bogner, Ludwig
2011-01-01
Patient-specific verification of intensity-modulated radiation therapy (IMRT) plans can be done by dosimetric measurements or by independent dose or monitor unit calculations. The aim of this study was the clinical evaluation of IMRT verification based on a fast Monte Carlo (MC) program with regard to possible benefits compared to commonly used film dosimetry. 25 head-and-neck IMRT plans were recalculated by a pencil beam based treatment planning system (TPS) using an appropriate quality assurance (QA) phantom. All plans were verified both by film and diode dosimetry and compared to MC simulations. The irradiated films, the results of diode measurements and the computed dose distributions were evaluated, and the data were compared on the basis of gamma maps and dose-difference histograms. Average deviations in the high-dose region between diode measurements and point dose calculations performed with the TPS and MC program were 0.7 ± 2.7% and 1.2 ± 3.1%, respectively. For film measurements, the mean gamma values with 3% dose difference and 3mm distance-to-agreement were 0.74 ± 0.28 (TPS as reference) with dose deviations up to 10%. Corresponding values were significantly reduced to 0.34 ± 0.09 for MC dose calculation. The total time needed for both verification procedures is comparable, however, by far less labor intensive in the case of MC simulations. The presented study showed that independent dose calculation verification of IMRT plans with a fast MC program has the potential to eclipse film dosimetry more and more in the near future. Thus, the linac-specific QA part will necessarily become more important. In combination with MC simulations and due to the simple set-up, point-dose measurements for dosimetric plausibility checks are recommended at least in the IMRT introduction phase. Copyright © 2010. Published by Elsevier GmbH.
Shielding evaluation of neutron generator hall by Monte Carlo simulations
Energy Technology Data Exchange (ETDEWEB)
Pujala, U.; Selvakumaran, T.S.; Baskaran, R.; Venkatraman, B. [Radiological Safety Division, Indira Gandhi Center for Atomic Research, Kalpakkam (India); Thilagam, L.; Mohapatra, D.K., E-mail: swathythila2@yahoo.com [Safety Research Institute, Atomic Energy Regulatory Board, Kalpakkam (India)
2017-04-01
A shielded hall was constructed for accommodating a D-D, D-T or D-Be based pulsed neutron generator (NG) with 4π yield of 10{sup 9} n/s. The neutron shield design of the facility was optimized using NCRP-51 methodology such that the total dose rates outside the hall areas are well below the regulatory limit for full occupancy criterion (1 μSv/h). However, the total dose rates at roof top, cooling room trench exit and labyrinth exit were found to be above this limit for the optimized design. Hence, additional neutron shielding arrangements were proposed for cooling room trench and labyrinth exits. The roof top was made inaccessible. The present study is an attempt to evaluate the neutron and associated capture gamma transport through the bulk shields for the complete geometry and materials of the NG-Hall using Monte Carlo (MC) codes MCNP and FLUKA. The neutron source terms of D-D, D-T and D-Be reactions are considered in the simulations. The effect of additional shielding proposed has been demonstrated through the simulations carried out with the consideration of the additional shielding for D-Be neutron source term. The results MC simulations using two different codes are found to be consistent with each other for neutron dose rate estimates. However, deviation up to 28% is noted between these two codes at few locations for capture gamma dose rate estimates. Overall, the dose rates estimated by MC simulations including additional shields shows that all the locations surrounding the hall satisfy the full occupancy criteria for all three types of sources. Additionally, the dose rates due to direct transmission of primary neutrons estimated by FLUKA are compared with the values calculated using the formula given in NCRP-51 which shows deviations up to 50% with each other. The details of MC simulations and NCRP-51 methodology for the estimation of primary neutron dose rate along with the results are presented in this paper. (author)
Heterogeneous multiscale Monte Carlo simulations for gold nanoparticle radiosensitization.
Martinov, Martin P; Thomson, Rowan M
2017-02-01
To introduce the heterogeneous multiscale (HetMS) model for Monte Carlo simulations of gold nanoparticle dose-enhanced radiation therapy (GNPT), a model characterized by its varying levels of detail on different length scales within a single phantom; to apply the HetMS model in two different scenarios relevant for GNPT and to compare computed results with others published. The HetMS model is implemented using an extended version of the EGSnrc user-code egs_chamber; the extended code is tested and verified via comparisons with recently published data from independent GNP simulations. Two distinct scenarios for the HetMS model are then considered: (a) monoenergetic photon beams (20 keV to 1 MeV) incident on a cylinder (1 cm radius, 3 cm length); (b) isotropic point source (brachytherapy source spectra) at the center of a 2.5 cm radius sphere with gold nanoparticles (GNPs) diffusing outwards from the center. Dose enhancement factors (DEFs) are compared for different source energies, depths in phantom, gold concentrations, GNP sizes, and modeling assumptions, as well as with independently published values. Simulation efficiencies are investigated. The HetMS MC simulations account for the competing effects of photon fluence perturbation (due to gold in the scatter media) coupled with enhanced local energy deposition (due to modeling discrete GNPs within subvolumes). DEFs are most sensitive to these effects for the lower source energies, varying with distance from the source; DEFs below unity (i.e., dose decreases, not enhancements) can occur at energies relevant for brachytherapy. For example, in the cylinder scenario, the 20 keV photon source has a DEF of 3.1 near the phantom's surface, decreasing to less than unity by 0.7 cm depth (for 20 mg/g). Compared to discrete modeling of GNPs throughout the gold-containing (treatment) volume, efficiencies are enhanced by up to a factor of 122 with the HetMS approach. For the spherical phantom, DEFs vary with time for diffusion
Rapid Monte Carlo simulation of detector DQE(f)
Energy Technology Data Exchange (ETDEWEB)
Star-Lack, Josh, E-mail: josh.starlack@varian.com; Sun, Mingshan; Abel, Eric [Varian Medical Systems, Palo Alto, California 94304-1030 (United States); Meyer, Andre; Morf, Daniel [Varian Medical Systems, CH-5405, Baden-Dattwil (Switzerland); Constantin, Dragos; Fahrig, Rebecca [Department of Radiology, Stanford University, Stanford, California 94305 (United States)
2014-03-15
Purpose: Performance optimization of indirect x-ray detectors requires proper characterization of both ionizing (gamma) and optical photon transport in a heterogeneous medium. As the tool of choice for modeling detector physics, Monte Carlo methods have failed to gain traction as a design utility, due mostly to excessive simulation times and a lack of convenient simulation packages. The most important figure-of-merit in assessing detector performance is the detective quantum efficiency (DQE), for which most of the computational burden has traditionally been associated with the determination of the noise power spectrum (NPS) from an ensemble of flood images, each conventionally having 10{sup 7} − 10{sup 9} detected gamma photons. In this work, the authors show that the idealized conditions inherent in a numerical simulation allow for a dramatic reduction in the number of gamma and optical photons required to accurately predict the NPS. Methods: The authors derived an expression for the mean squared error (MSE) of a simulated NPS when computed using the International Electrotechnical Commission-recommended technique based on taking the 2D Fourier transform of flood images. It is shown that the MSE is inversely proportional to the number of flood images, and is independent of the input fluence provided that the input fluence is above a minimal value that avoids biasing the estimate. The authors then propose to further lower the input fluence so that each event creates a point-spread function rather than a flood field. The authors use this finding as the foundation for a novel algorithm in which the characteristic MTF(f), NPS(f), and DQE(f) curves are simultaneously generated from the results of a single run. The authors also investigate lowering the number of optical photons used in a scintillator simulation to further increase efficiency. Simulation results are compared with measurements performed on a Varian AS1000 portal imager, and with a previously published
Monte Carlo simulations of Photospheric emission in relativistic outflows
Bhattacharya, Mukul; Santana, Rodolfo; Kumar, Pawan
2016-01-01
We study the spectra of photospheric emission from highly relativistic gamma-ray burst outflows using a Monte Carlo (MC) code. We consider the Comptonization of photons with a fast cooled synchrotron spectrum in a relativistic jet with photon to electron number ratio $N_{\\gamma}/N_e = 10^5$. For all our simulations, we use mono-energetic protons which interact with thermalised electrons through the Coulomb interaction. The photons, electrons and protons are cooled adiabatically as the jet expands outwards. We find that the initial energy distribution of the protons and electrons do not have any appreciable effect on the photon peak energy and the power-law spectrum above the peak energy. We also find that the Coulomb interaction between the electrons and the protons does not affect the output photon spectrum significantly as the energy of the electrons is elevated only marginally. The peak energy and the spectral indices for the low and high energy power-law tails of the photon spectrum remain practically unc...
Patchy sticky hard spheres: analytical study and Monte Carlo simulations.
Fantoni, Riccardo; Gazzillo, Domenico; Giacometti, Achille; Miller, Mark A; Pastore, Giorgio
2007-12-21
We consider a fluid of hard spheres bearing one or two uniform circular adhesive patches, distributed so as not to overlap. Two spheres interact via a "sticky" Baxter potential if the line joining the centers of the two spheres intersects a patch on each sphere, and via a hard sphere potential otherwise. We analyze the location of the fluid-fluid transition and of the percolation line as a function of the size of the patch (the fractional coverage of the sphere's surface) and of the number of patches within a virial expansion up to third order and within the first two terms (C0 and C1) of a class of closures Cn hinging on a density expansion of the direct correlation function. We find that the locations of the two lines depend sensitively on both the total adhesive coverage and its distribution. The treatment is almost fully analytical within the chosen approximate theory. We test our findings by means of specialized Monte Carlo simulations and find the main qualitative features of the critical behavior to be well captured in spite of the low density perturbative nature of the closure. The introduction of anisotropic attractions into a model suspension of spherical particles is a first step toward a more realistic description of globular proteins in solution.
Monte Carlo Simulation of SATs in 2D
Institute of Scientific and Technical Information of China (English)
无
1996-01-01
In this paper we use Monte Carlo simulation method to deal with SATs on a square lattice and a triangular lattice in two dimensions in the T→∞ limit.Besides that,the SAT model has been generalized in the coordination number q→∞ limit.The characteristics of SATs in the two limits q=3 and q→∞ have been qualitatively discussed.The obtained results reveal that the SATs have intermediate behaviors between that of SAWs and RWs.The critical exponents of SATs have intermediate behaviors between that of SAWs and RWs.The critical exponents of SATs are monotonous functions of q.With different q,SATs correspondingly belong to different universality classes.For example,on a hexagonal lattice,SATs and SAWs belong to the same universality class;in the limiting situation q→∞,SATs and RWs belong to the same universality class;when q=4 or q=6,SATs and SAWs or RWs belong to the different universality class.
Hopping electron model with geometrical frustration: kinetic Monte Carlo simulations
Terao, Takamichi
2016-09-01
The hopping electron model on the Kagome lattice was investigated by kinetic Monte Carlo simulations, and the non-equilibrium nature of the system was studied. We have numerically confirmed that aging phenomena are present in the autocorrelation function C ({t,tW )} of the electron system on the Kagome lattice, which is a geometrically frustrated lattice without any disorder. The waiting-time distributions p(τ ) of hopping electrons of the system on Kagome lattice has been also studied. It is confirmed that the profile of p (τ ) obtained at lower temperatures obeys the power-law behavior, which is a characteristic feature of continuous time random walk of electrons. These features were also compared with the characteristics of the Coulomb glass model, used as a model of disordered thin films and doped semiconductors. This work represents an advance in the understanding of the dynamics of geometrically frustrated systems and will serve as a basis for further studies of these physical systems.
Monte Carlo Simulation for the Adsorption of Symmetric Triblock Copolymers
Institute of Scientific and Technical Information of China (English)
彭昌军; 李健康; 刘洪来; 胡英
2004-01-01
The adsorption behavior of symmetric triblock copolymers, Am/2BnAm/2, from a nonselective solvent at solid-liquid interface has been studied by Monte Carlo simulations on a simple lattice model. Either segment A or segment B is attractive, while the other is non-attractive to the surface. Influences of the adsorption energy,bulk concentration, chain composition and chain length on the microstructure of adsorbed layers are presented.The results show that the total surface coverage and the adsorption amount increases monotonically as the bulk concentration increases. The larger the adsorption energy and the higher the fraction of adsorbing segments, the higher the total surface coverage is exhibited. The product of surface coverage and the proportion of non-attractive segments are nearly independent of the chain length, and the logarithm of the adsorption amount is a linear function of the reciprocal of the reduced temperature. When the adsorption energy is larger, the adsorption amount exhibits a maximum as the fraction of adsorbing segment increases. The adsorption isotherms of copolymers with different length of non-attractive segments can be mapped onto a single curve under given adsorption energy. The adsorption layer thickness decreases as the adsorption energy and the fraction of adsorbing segments increases, but it increhses as the length of non-attractive segments increases. The tails mainly govern the adsorption layer thickness.
Monte Carlo simulations of the SANS instrument in Petten
Energy Technology Data Exchange (ETDEWEB)
Uca, O. [European Commission, Joint Research Centre, Institute for Energy, Westerduinweg 3, 1755 LE, Petten (Netherlands)], E-mail: oktay.uca@jrc.nl; Ohms, C. [European Commission, Joint Research Centre, Institute for Energy, Westerduinweg 3, 1755 LE, Petten (Netherlands)], E-mail: carsten.ohms@jrc.nl
2008-11-30
The small-angle neutron-scattering facility at the 45 MW high-flux reactor in Petten, The Netherlands, was constructed in the late 1980s. It has a q-range of 5x10{sup -3} to 0.4 A{sup -1}, operating at a fixed wavelength of 4.75 A, which is realized by six pairs of double pyrolytic graphite monochromators. In this paper, we study the flux gain for the instrument installed at a neutron guide by Monte Carlo simulations using the program packages McStas [L. Lefmann, K. Nielsen, Neutron News 10 (1999) 320; P. Willendrup, E. Farhi and K. Lefmann, Physica B 350 (2004) 735] and Vitess [G. Zsigmond et al., Nucl. Instrum. Methods A 529 (2004) 218; (http://www.hmi.de/projects/ess/vitess/)]. In doing so, the instrument is relocated from its current position to the HB10 radial beam tube, the double monochromator is replaced by a velocity selector and neutron guides are used for transporting the neutrons.
Monte Carlo simulations of the SANS instrument in Petten
Uca, O.; Ohms, C.
2008-11-01
The small-angle neutron-scattering facility at the 45 MW high-flux reactor in Petten, The Netherlands, was constructed in the late 1980s. It has a q-range of 5×10 -3 to 0.4 Å -1, operating at a fixed wavelength of 4.75 Å, which is realized by six pairs of double pyrolytic graphite monochromators. In this paper, we study the flux gain for the instrument installed at a neutron guide by Monte Carlo simulations using the program packages McStas [L. Lefmann, K. Nielsen, Neutron News 10 (1999) 320; P. Willendrup, E. Farhi and K. Lefmann, Physica B 350 (2004) 735] and Vitess [G. Zsigmond et al., Nucl. Instrum. Methods A 529 (2004) 218; http://www.hmi.de/projects/ess/vitess/]. In doing so, the instrument is relocated from its current position to the HB10 radial beam tube, the double monochromator is replaced by a velocity selector and neutron guides are used for transporting the neutrons.
Monte Carlo simulation of electron beam air plasma characteristics
Institute of Scientific and Technical Information of China (English)
Deng Yong-Feng; Han Xian-Wei; Tan Chang
2009-01-01
A high-energy electron beam generator is used to generate a plasma in atmosphere. Based on a Monte Carlo toolkit named GEANT4,a model including complete physics processes is established to simulate the passage of the electron beam in air. Based on the model,the characteristics of the electron beam air plasma are calculated. The energy distribution of beam electrons (BEs) indicates that high-energy electrons almost reside in the centre region of the beam,but low-energy electrons always live in the fringe area. The energy deposition is calculated in two cases,i.e.,with and without secondary electrons (SEs). Analysis indicates that the energy deposition of Ses accounts for a large part of the total energy deposition. The results of the energy spectrum show that the electrons in the inlet layer of the low-pressure chamber (LPC) are monoenergetic,but the energy spectrum of the electrons in the outlet layer is not pure. The SEs are largely generated at the outlet of the LPC. Moreover,both the energy distribution of Bes and the magnitude of the density of SEs are closely related to the pressure of LPC. Thus,a conclusion is drawn that a low magnitude of LPC pressure is helpful for reducing the energy loss in the LPC and also useful for greatly increasing the secondary electron density in dense air.
Monte Carlo simulations of ionization potential depression in dense plasmas
Energy Technology Data Exchange (ETDEWEB)
Stransky, M., E-mail: stransky@fzu.cz [Department of Radiation and Chemical Physics, Institute of Physics ASCR, Na Slovance 2, 182 21 Prague 8 (Czech Republic)
2016-01-15
A particle-particle grand canonical Monte Carlo model with Coulomb pair potential interaction was used to simulate modification of ionization potentials by electrostatic microfields. The Barnes-Hut tree algorithm [J. Barnes and P. Hut, Nature 324, 446 (1986)] was used to speed up calculations of electric potential. Atomic levels were approximated to be independent of the microfields as was assumed in the original paper by Ecker and Kröll [Phys. Fluids 6, 62 (1963)]; however, the available levels were limited by the corresponding mean inter-particle distance. The code was tested on hydrogen and dense aluminum plasmas. The amount of depression was up to 50% higher in the Debye-Hückel regime for hydrogen plasmas, in the high density limit, reasonable agreement was found with the Ecker-Kröll model for hydrogen plasmas and with the Stewart-Pyatt model [J. Stewart and K. Pyatt, Jr., Astrophys. J. 144, 1203 (1966)] for aluminum plasmas. Our 3D code is an improvement over the spherically symmetric simplifications of the Ecker-Kröll and Stewart-Pyatt models and is also not limited to high atomic numbers as is the underlying Thomas-Fermi model used in the Stewart-Pyatt model.
A Monte Carlo simulation technique to determine the optimal portfolio
Directory of Open Access Journals (Sweden)
Hassan Ghodrati
2014-03-01
Full Text Available During the past few years, there have been several studies for portfolio management. One of the primary concerns on any stock market is to detect the risk associated with various assets. One of the recognized methods in order to measure, to forecast, and to manage the existing risk is associated with Value at Risk (VaR, which draws much attention by financial institutions in recent years. VaR is a method for recognizing and evaluating of risk, which uses the standard statistical techniques and the method has been used in other fields, increasingly. The present study has measured the value at risk of 26 companies from chemical industry in Tehran Stock Exchange over the period 2009-2011 using the simulation technique of Monte Carlo with 95% confidence level. The used variability in the present study has been the daily return resulted from the stock daily price change. Moreover, the weight of optimal investment has been determined using a hybrid model called Markowitz and Winker model in each determined stocks. The results showed that the maximum loss would not exceed from 1259432 Rials at 95% confidence level in future day.
Monte Carlo Simulations for Likelihood Analysis of the PEN experiment
Glaser, Charles; PEN Collaboration
2017-01-01
The PEN collaboration performed a precision measurement of the π+ ->e+νe(γ) branching ratio with the goal of obtaining a relative uncertainty of 5 ×10-4 or better at the Paul Scherrer Institute. A precision measurement of the branching ratio Γ(π -> e ν (γ)) / Γ(π -> μ ν (γ)) can be used to give mass bounds on ``new'', or non V -A, particles and interactions. This ratio also proves to be one of the most sensitive tests for lepton universality. The PEN detector consists of beam counters, an active target, a mini-time projection chamber, multi-wire proportional chamber, a plastic scintillating hodoscope, and a CsI electromagnetic calorimeter. The Geant4 Monte Carlo simulation is used to construct ultra-realistic events by digitizing energies and times, creating synthetic target waveforms, and fully accounting for photo-electron statistics. We focus on the detailed detector response to specific decay and background processes in order to sharpen the discrimination between them in the data analysis. Work supported by NSF grants PHY-0970013, 1307328, and others.
A Monte Carlo simulation approach for flood risk assessment
Agili, Hachem; Chokmani, Karem; Oubennaceur, Khalid; Poulin, Jimmy; Marceau, Pascal
2016-04-01
Floods are the most frequent natural disaster and the most damaging in Canada. The issue of assessing and managing the risk related to this disaster has become increasingly crucial for both local and national authorities. Brigham, a municipality located in southern Quebec Province, is one of the heavily affected regions by this disaster because of frequent overflows of the Yamaska River reaching two to three times per year. Since Irene Hurricane which hit the region in 2011 causing considerable socio-economic damage, the implementation of mitigation measures has become a major priority for this municipality. To do this, a preliminary study to evaluate the risk to which this region is exposed is essential. Conventionally, approaches only based on the characterization of the hazard (e.g. floodplains extensive, flood depth) are generally adopted to study the risk of flooding. In order to improve the knowledge of this risk, a Monte Carlo simulation approach combining information on the hazard with vulnerability-related aspects of buildings has been developed. This approach integrates three main components namely hydrological modeling through flow-probability functions, hydraulic modeling using flow-submersion height functions and the study of buildings damage based on damage functions adapted to the Quebec habitat. The application of this approach allows estimating the annual average cost of damage caused by floods on buildings. The obtained results will be useful for local authorities to support their decisions on risk management and prevention against this disaster.
Monte Carlo simulation of terahertz generation in nitrides
Energy Technology Data Exchange (ETDEWEB)
Starikov, E.; Shiktorov, P.; Gruzinskis, V. [Semiconductor Physics Institute, Vilnius (Lithuania); Reggiani, L. [Dipartimento di Ingegneria dell' Innovazione, Istituto Nazionale di Fisica della Materia, Universite di Lecce, Lecce (Italy); Varani, L.; Vaissiere, J.C. [Centre d' Electronique et de Micro-Optoelectronique de Montpellier (CNRS UMR 5507), Universite Montpellier II, Montpellier (France); Zhao, Jian H. [SiCLAB, Department of Electrical and Computer Engineering and CAIP Center, Rutgers University, Piscataway, NJ (United States)
2001-08-13
The conditions for microwave power generation under the quasi-periodic motion of carriers caused by the combined action of carrier acceleration in a constant electric field and optical phonon emission at low temperatures are analysed by means of Monte Carlo simulations of both small- and large-signal responses in bulk nitrides such as GaN and InN. It is shown that, as a consequence of the high value of the optical phonon energy and the strong electron-phonon interaction, a dynamic negative differential mobility caused by transit-time resonance occurs over a wide frequency range which covers practically the whole submillimetre range and persists in the THz frequency range up to liquid nitrogen temperature. The efficiency of the amplification and generation is found to depend nonmonotonically on: (i) the static and microwave electric field amplitudes, (ii) the generation frequency, and (iii) the carrier concentration. Accordingly, for each generation frequency there exists an optimal range of parameter values. Under optimal conditions we predict a generation efficiency of about 1-2% in the 0.5-1.5 THz frequency range. (author)
Dependence of control rod worth on fuel burnup
Energy Technology Data Exchange (ETDEWEB)
Savva, P., E-mail: savvapan@ipta.demokritos.g [NCSR ' DEMOKRITOS' , PoB 60228, 15310 Aghia Paraskevi (Greece); Varvayanni, M., E-mail: melina@ipta.demokritos.g [NCSR ' DEMOKRITOS' , PoB 60228, 15310 Aghia Paraskevi (Greece); Catsaros, N., E-mail: nicos@ipta.demokritos.g [NCSR ' DEMOKRITOS' , PoB 60228, 15310 Aghia Paraskevi (Greece)
2011-02-15
Research highlights: Diffusion and MC calculations for rod worth dependence on burnup and Xe in reactors. One-step rod withdrawal/insertion are used for rod worth estimation. The study showed that when Xe is present the rods worth is significantly reduced. Rod worth variation with burnup depends on rod position in core. Rod worth obtained with MC code is higher than that obtained from deterministic. - Abstract: One important parameter in the design and the analysis of a nuclear reactor core is the reactivity worth of the control rods, i.e. their efficiency to absorb excess reactivity. The control rod worth is affected by parameters such as the fuel burnup in the rod vicinity, the Xe concentration in the core, the operational time of the rod and its position in the core. In the present work, two different computational approaches, a deterministic and a stochastic one, were used for the determination of the rods worth dependence on the fuel burnup level and the Xe concentration level in a conceptual, symmetric reactor core, based on the MTR fuel assemblies used in the Greek Research Reactor (GRR-1). For the deterministic approach the neutronics code system composed by the SCALE modules NITAWL and XSDRN and the diffusion code CITATION was used, while for the stochastic one the Monte Carlo code TRIPOLI was applied. The study showed that when Xe is present in the core, the rods worth is significantly reduced, while the rod worth variation with increasing burnup depends on the rods position in the core grid. The rod worth obtained with the use of the Monte Carlo code is higher than the one obtained from the deterministic code.
Monte Carlo simulations of single and coupled synthetic molecular motors.
Chen, C-M; Zuckermann, M
2012-11-01
We use a minimal model to study the processive motion of coupled synthetic molecular motors along a DNA track and we present data from Monte Carlo (MC) computer simulations based on this model. The model was originally proposed by Bromley et al. [HFSP J. 3, 204 (2009)] for studying the properties of a synthetic protein motor, the "Tumbleweed" (TW), and involves rigid Y-shaped motors diffusively rotating along the track while controlled by a series of periodically injected ligand pulses into the solution. The advantage of the model is that it mimics the mechanical properties of the TW motor in detail. Both the average first passage time which measures the diffusive motion of the motors, and the average dwell time on the track which measures their processivity are investigated by varying the parameters of the model. The latter includes ligand concentration and the range and strength of the binding interaction between motors and the track. In particular, it is of experimental interest to study the dependence of these dynamic time scales of the motors on the ligand concentration. Single rigid TW motors were first studied since no previous MC simulations of these motors have been performed. We first studied single motors for which we found a logarithmic decrease of the average first passage time and a logarithmic increase of the average dwell time with increasing ligand concentration. For two coupled motors, the dependence on ligand concentration is still logarithmic for the average first passage time but becomes linear for the average dwell time. This suggests a much greater stability in the processive motion of coupled motors as compared to single motors in the limit of large ligand concentration. By increasing the number of coupled motors, m, it was found that the average first passage time of the coupled motors only increases slowly with m while the average dwell time increases exponentially with m. Thus the stability of coupled motors on the track can be
Monte Carlo Simulation of Aqueous Dilute Solutions of Polyhydric Alcohols
Lilly, Arnys Clifton, Jr.
In order to investigate the details of hydrogen bonding and solution molecular conformation of complex alcohols in water, isobaric-isothermal Monte Carlo simulations were carried out on several systems. The solutes investigated were ethanol, ethylene glycol, 1,2-propylene glycol, 1,3 -propylene glycol and glycerol. In addition, propane, which does not hydrogen bond but does form water hydrates, was simulated in aqueous solution. The complex alcohol-water systems are very nonideal in their behavior as a function of solute concentration down to very dilute solutions. The water model employed was TIP4P water^1 and the intermolecular potentials employed are of the Jorgensen type^2 in which the interactions between the molecules are represented by interaction sites usually located on nuclei. The interactions are represented by a sum of Coulomb and Lennard-Jones terms between all intermolecular pairs of sites. Intramolecular rotations in the solute are modeled by torsional potential energy functions taken from ethanol, 1-propanol and 2-propanol for C-O and C-C bond rotations. Quasi-component pair correlation functions were used to analyze the hydrogen bonding. Hydrogen bonds were classified as proton acceptor and proton donor bonds by analyzing the nearest neighbor pair correlation function between hydroxyl oxygen and hydrogen and between solvent-water hydrogen and oxygen. The results obtained for partial molar heats of solution are more negative than experimental values by 3.0 to 14 kcal/mol. In solution, all solutes reached a contracted molecular geometry with the OH groups generally on one side of the molecule. There is a tendency for the solute OH groups to hydrogen bond with water, with more proton acceptor bonds than proton donor bonds. The water -solute binding energies correlate with experimental measurements of the water-binding properties of the solute. ftn ^1Jorgensen, W. L. et al, J. Chem. Phys., 79, 926 (1983). ^2Jorgensen, W. L., J. Phys Chem., 87, 5304
Review of Monte Carlo simulations for backgrounds from radioactivity
Selvi, Marco
2013-08-01
For all experiments dealing with the rare event searches (neutrino, dark matter, neutrino-less double-beta decay), the reduction of the radioactive background is one of the most important and difficult tasks. There are basically two types of background, electron recoils and nuclear recoils. The electron recoil background is mostly from the gamma rays through the radioactive decay. The nuclear recoil background is from neutrons from spontaneous fission, (α, n) reactions and muoninduced interactions (spallations, photo-nuclear and hadronic interaction). The external gammas and neutrons from the muons and laboratory environment, can be reduced by operating the detector at deep underground laboratories and by placing active or passive shield materials around the detector. The radioactivity of the detector materials also contributes to the background; in order to reduce it a careful screening campaign is mandatory to select highly radio-pure materials. In this review I present the status of current Monte Carlo simulations aimed to estimate and reproduce the background induced by gamma and neutron radioactivity of the materials and the shield of rare event search experiment. For the electromagnetic background a good level of agreement between the data and the MC simulation has been reached by the XENON100 and EDELWEISS experiments, using the GEANT4 toolkit. For the neutron background, a comparison between the yield of neutrons from spontaneous fission and (α, n) obtained with two dedicated softwares, SOURCES-4A and the one developed by Mei-Zhang-Hime, show a good overall agreement, with total yields within a factor 2 difference. The energy spectra from SOURCES-4A are in general smoother, while those from MZH presents sharp peaks. The neutron propagation through various materials has been studied with two MC codes, GEANT4 and MCNPX, showing a reasonably good agreement, inside 50% discrepancy.
Monte Carlo simulation of the neutron monitor yield function
Mangeard, P.-S.; Ruffolo, D.; Sáiz, A.; Madlee, S.; Nutaro, T.
2016-08-01
Neutron monitors (NMs) are ground-based detectors that measure variations of the Galactic cosmic ray flux at GV range rigidities. Differences in configuration, electronics, surroundings, and location induce systematic effects on the calculation of the yield functions of NMs worldwide. Different estimates of NM yield functions can differ by a factor of 2 or more. In this work, we present new Monte Carlo simulations to calculate NM yield functions and perform an absolute (not relative) comparison with the count rate of the Princess Sirindhorn Neutron Monitor (PSNM) at Doi Inthanon, Thailand, both for the entire monitor and for individual counter tubes. We model the atmosphere using profiles from the Global Data Assimilation System database and the Naval Research Laboratory Mass Spectrometer, Incoherent Scatter Radar Extended model. Using FLUKA software and the detailed geometry of PSNM, we calculated the PSNM yield functions for protons and alpha particles. An agreement better than 9% was achieved between the PSNM observations and the simulated count rate during the solar minimum of December 2009. The systematic effect from the electronic dead time was studied as a function of primary cosmic ray rigidity at the top of the atmosphere up to 1 TV. We show that the effect is not negligible and can reach 35% at high rigidity for a dead time >1 ms. We analyzed the response function of each counter tube at PSNM using its actual dead time, and we provide normalization coefficients between count rates for various tube configurations in the standard NM64 design that are valid to within ˜1% for such stations worldwide.
Campolina, Daniel de A. M.; Lima, Claubia P. B.; Veloso, Maria Auxiliadora F.
2014-06-01
For all the physical components that comprise a nuclear system there is an uncertainty. Assessing the impact of uncertainties in the simulation of fissionable material systems is essential for a best estimate calculation that has been replacing the conservative model calculations as the computational power increases. The propagation of uncertainty in a simulation using a Monte Carlo code by sampling the input parameters is recent because of the huge computational effort required. In this work a sample space of MCNPX calculations was used to propagate the uncertainty. The sample size was optimized using the Wilks formula for a 95th percentile and a two-sided statistical tolerance interval of 95%. Uncertainties in input parameters of the reactor considered included geometry dimensions and densities. It was showed the capacity of the sampling-based method for burnup when the calculations sample size is optimized and many parameter uncertainties are investigated together, in the same input.
Monte Carlo simulation on kinetics of batch and semi-batch free radical polymerization
Shao, Jing
2015-10-27
Based on Monte Carlo simulation technology, we proposed a hybrid routine which combines reaction mechanism together with coarse-grained molecular simulation to study the kinetics of free radical polymerization. By comparing with previous experimental and simulation studies, we showed the capability of our Monte Carlo scheme on representing polymerization kinetics in batch and semi-batch processes. Various kinetics information, such as instant monomer conversion, molecular weight, and polydispersity etc. are readily calculated from Monte Carlo simulation. The kinetic constants such as polymerization rate k p is determined in the simulation without of “steady-state” hypothesis. We explored the mechanism for the variation of polymerization kinetics those observed in previous studies, as well as polymerization-induced phase separation. Our Monte Carlo simulation scheme is versatile on studying polymerization kinetics in batch and semi-batch processes.
Physical time scale in kinetic Monte Carlo simulations of continuous-time Markov chains.
Serebrinsky, Santiago A
2011-03-01
We rigorously establish a physical time scale for a general class of kinetic Monte Carlo algorithms for the simulation of continuous-time Markov chains. This class of algorithms encompasses rejection-free (or BKL) and rejection (or "standard") algorithms. For rejection algorithms, it was formerly considered that the availability of a physical time scale (instead of Monte Carlo steps) was empirical, at best. Use of Monte Carlo steps as a time unit now becomes completely unnecessary.
Monte Carlo and analytic simulations in nanoparticle-enhanced radiation therapy
Directory of Open Access Journals (Sweden)
Paro AD
2016-09-01
Full Text Available Autumn D Paro,1 Mainul Hossain,2 Thomas J Webster,1,3,4 Ming Su1,4 1Department of Chemical Engineering, Northeastern University, Boston, MA, USA; 2NanoScience Technology Center and School of Electrical Engineering and Computer Science, University of Central Florida, Orlando, Florida, USA; 3Excellence for Advanced Materials Research, King Abdulaziz University, Jeddah, Saudi Arabia; 4Wenzhou Institute of Biomaterials and Engineering, Chinese Academy of Science, Wenzhou Medical University, Zhejiang, People’s Republic of China Abstract: Analytical and Monte Carlo simulations have been used to predict dose enhancement factors in nanoparticle-enhanced X-ray radiation therapy. Both simulations predict an increase in dose enhancement in the presence of nanoparticles, but the two methods predict different levels of enhancement over the studied energy, nanoparticle materials, and concentration regime for several reasons. The Monte Carlo simulation calculates energy deposited by electrons and photons, while the analytical one only calculates energy deposited by source photons and photoelectrons; the Monte Carlo simulation accounts for electron–hole recombination, while the analytical one does not; and the Monte Carlo simulation randomly samples photon or electron path and accounts for particle interactions, while the analytical simulation assumes a linear trajectory. This study demonstrates that the Monte Carlo simulation will be a better choice to evaluate dose enhancement with nanoparticles in radiation therapy. Keywords: nanoparticle, dose enhancement, Monte Carlo simulation, analytical simulation, radiation therapy, tumor cell, X-ray
Sharma, Anupam; Long, Lyle N.
2004-10-01
A particle approach using the Direct Simulation Monte Carlo (DSMC) method is used to solve the problem of blast impact with structures. A novel approach to model the solid boundary condition for particle methods is presented. The solver is validated against an analytical solution of the Riemann shocktube problem and against experiments on interaction of a planar shock with a square cavity. Blast impact simulations are performed for two model shapes, a box and an I-shaped beam, assuming that the solid body does not deform. The solver uses domain decomposition technique to run in parallel. The parallel performance of the solver on two Beowulf clusters is also presented.
A zero-variance based scheme for Monte Carlo criticality simulations
Christoforou, S.
2010-01-01
The ability of the Monte Carlo method to solve particle transport problems by simulating the particle behaviour makes it a very useful technique in nuclear reactor physics. However, the statistical nature of Monte Carlo implies that there will always be a variance associated with the estimate obtain
Deficiency in Monte Carlo simulations of coupled neutron-gamma-ray fields
Maleka, Peane P.; Maucec, Marko; de Meijer, Robert J.
2011-01-01
The deficiency in Monte Carlo simulations of coupled neutron-gamma-ray field was investigated by benchmarking two simulation codes with experimental data. Simulations showed better correspondence with the experimental data for gamma-ray transport only. In simulations, the neutron interactions with m
Monte Carlo simulations: Hidden errors from ``good'' random number generators
Ferrenberg, Alan M.; Landau, D. P.; Wong, Y. Joanna
1992-12-01
The Wolff algorithm is now accepted as the best cluster-flipping Monte Carlo algorithm for beating ``critical slowing down.'' We show how this method can yield incorrect answers due to subtle correlations in ``high quality'' random number generators.
Exact special twist method for quantum Monte Carlo simulations
Dagrada, Mario; Karakuzu, Seher; Vildosola, Verónica Laura; Casula, Michele; Sorella, Sandro
2016-12-01
We present a systematic investigation of the special twist method introduced by Rajagopal et al. [Phys. Rev. B 51, 10591 (1995), 10.1103/PhysRevB.51.10591] for reducing finite-size effects in correlated calculations of periodic extended systems with Coulomb interactions and Fermi statistics. We propose a procedure for finding special twist values which, at variance with previous applications of this method, reproduce the energy of the mean-field infinite-size limit solution within an adjustable (arbitrarily small) numerical error. This choice of the special twist is shown to be the most accurate single-twist solution for curing one-body finite-size effects in correlated calculations. For these reasons we dubbed our procedure "exact special twist" (EST). EST only needs a fully converged independent-particles or mean-field calculation within the primitive cell and a simple fit to find the special twist along a specific direction in the Brillouin zone. We first assess the performances of EST in a simple correlated model such as the three-dimensional electron gas. Afterwards, we test its efficiency within ab initio quantum Monte Carlo simulations of metallic elements of increasing complexity. We show that EST displays an overall good performance in reducing finite-size errors comparable to the widely used twist average technique but at a much lower computational cost since it involves the evaluation of just one wave function. We also demonstrate that the EST method shows similar performances in the calculation of correlation functions, such as the ionic forces for structural relaxation and the pair radial distribution function in liquid hydrogen. Our conclusions point to the usefulness of EST for correlated supercell calculations; our method will be particularly relevant when the physical problem under consideration requires large periodic cells.
Energy Technology Data Exchange (ETDEWEB)
Richet, Y
2006-12-15
Criticality Monte Carlo calculations aim at estimating the effective multiplication factor (k-effective) for a fissile system through iterations simulating neutrons propagation (making a Markov chain). Arbitrary initialization of the neutron population can deeply bias the k-effective estimation, defined as the mean of the k-effective computed at each iteration. A simplified model of this cycle k-effective sequence is built, based on characteristics of industrial criticality Monte Carlo calculations. Statistical tests, inspired by Brownian bridge properties, are designed to discriminate stationarity of the cycle k-effective sequence. The initial detected transient is, then, suppressed in order to improve the estimation of the system k-effective. The different versions of this methodology are detailed and compared, firstly on a plan of numerical tests fitted on criticality Monte Carlo calculations, and, secondly on real criticality calculations. Eventually, the best methodologies observed in these tests are selected and allow to improve industrial Monte Carlo criticality calculations. (author)
Monte Carlo computer simulation of sedimentation of charged hard spherocylinders
Energy Technology Data Exchange (ETDEWEB)
Viveros-Méndez, P. X., E-mail: xviveros@fisica.uaz.edu.mx; Aranda-Espinoza, S. [Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esq. Paseo, La Bufa s/n, 98060 Zacatecas, Zacatecas, México (Mexico); Gil-Villegas, Alejandro [Departamento de Ingeniería Física, División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, Lomas del Campestre, 37150 León, Guanajuato, México (Mexico)
2014-07-28
In this article we present a NVT Monte Carlo computer simulation study of sedimentation of an electroneutral mixture of oppositely charged hard spherocylinders (CHSC) with aspect ratio L/σ = 5, where L and σ are the length and diameter of the cylinder and hemispherical caps, respectively, for each particle. This system is an extension of the restricted primitive model for spherical particles, where L/σ = 0, and it is assumed that the ions are immersed in an structureless solvent, i.e., a continuum with dielectric constant D. The system consisted of N = 2000 particles and the Wolf method was implemented to handle the coulombic interactions of the inhomogeneous system. Results are presented for different values of the strength ratio between the gravitational and electrostatic interactions, Γ = (mgσ)/(e{sup 2}/Dσ), where m is the mass per particle, e is the electron's charge and g is the gravitational acceleration value. A semi-infinite simulation cell was used with dimensions L{sub x} ≈ L{sub y} and L{sub z} = 5L{sub x}, where L{sub x}, L{sub y}, and L{sub z} are the box dimensions in Cartesian coordinates, and the gravitational force acts along the z-direction. Sedimentation effects were studied by looking at every layer formed by the CHSC along the gravitational field. By increasing Γ, particles tend to get more packed at each layer and to arrange in local domains with an orientational ordering along two perpendicular axis, a feature not observed in the uncharged system with the same hard-body geometry. This type of arrangement, known as tetratic phase, has been observed in two-dimensional systems of hard-rectangles and rounded hard-squares. In this way, the coupling of gravitational and electric interactions in the CHSC system induces the arrangement of particles in layers, with the formation of quasi-two dimensional tetratic phases near the surface.
Monte Carlo simulations of tungsten redeposition at the divertor target
Chankin, A. V.; Coster, D. P.; Dux, R.
2014-02-01
Recent modeling of controlled edge-localized modes (ELMs) in ITER with tungsten (W) divertor target plates by the SOLPS code package predicted high electron temperatures (>100 eV) and densities (>1 × 1021 m-3) at the outer target. Under certain scenarios W sputtered during ELMs can penetrate into the core in quantities large enough to cause deterioration of the discharge performance, as was shown by coupled SOLPS5.0/STRAHL/ASTRA runs. The net sputtering yield, however, was expected to be dramatically reduced by the ‘prompt redeposition’ during the first Larmor gyration of W1+ (Fussman et al 1995 Proc. 15th Int. Conf. on Plasma Physics and Controlled Nuclear Fusion Research (Vienna: IAEA) vol 2, p 143). Under high ne/Te conditions at the target during ITER ELMs, prompt redeposition would reduce W sputtering by factor p-2 ˜ 104 (with p ≡ τionωgyro ˜ 0.01). However, this relation does not include the effects of multiple ionizations of sputtered W atoms and the electric field in the magnetic pre-sheath (MPS, or ‘Chodura sheath’) and Debye sheath (DS). Monte Carlo simulations of W redeposition with the inclusion of these effects are described in the paper. It is shown that for p ≪ 1, the inclusion of multiple W ionizations and the electric field in the MPS and DS changes the physics of W redeposition from geometrical effects of circular gyro-orbits hitting the target surface, to mainly energy considerations; the key effect is the electric potential barrier for ions trying to escape into the main plasma. The overwhelming majority of ions are drawn back to the target by a strong attracting electric field. It is also shown that the possibility of a W self-sputtering avalanche by ions circulating in the MPS can be ruled out due to the smallness of the sputtered W neutral energies, which means that they do not penetrate very far into the MPS before ionizing; thus the W ions do not gain a large kinetic energy as they are accelerated back to the surface by the
A comparative study of MONTEBURNS and MCNPX 2.6.0 codes in ADS simulations
Energy Technology Data Exchange (ETDEWEB)
Barros, Graiciany P.; Pereira, Claubia; Veloso, Maria A.F.; Velasquez, Carlos E.; Costa, Antonella L., E-mail: gbarros@ufmg.br, E-mail: claubia@nuclear.ufmg.br [Universidade Federal de Minas Gerais (UFMG), Belo Horizonte, MG (Brazil). Dept. de Engenharia Nuclear
2013-07-01
The possible use of the MONTEBURNS and MCNPX 2.6.0 codes in Accelerator-driven systems (ADSs) simulations for fuel evolution description is discussed. ADSs are investigated for fuel breeding and long-lived fission product transmutation so simulations of fuel evolution have a great relevance. The burnup/depletion capability is present in both studied codes. MONTEBURNS code links Monte Carlo N-Particle Transport Code (MCNP) to the radioactive decay burnup code ORIGEN2, whereas MCNPX depletion/ burnup capability is a linked process involving steady-state flux calculations by MCNPX and nuclide depletion calculations by CINDER90. A lead-cooled accelerator-driven system fueled with thorium was simulated and the results obtained using MONTEBURNS code and the results from MCNPX 2.6.0 code were compared. The system criticality and the variation of the actinide inventory during the burnup were evaluated and the results indicate a similar behavior between the results of each code. (author)
Monte Carlo simulation of the standardization of {sup 22}Na using scintillation detector arrays
Energy Technology Data Exchange (ETDEWEB)
Sato, Y., E-mail: yss.sato@aist.go.j [National Metrology Institute of Japan, National Institute of Advanced Industrial Science and Technology, Quantum Radiation Division, Radioactivity and Neutron Section, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Murayama, H. [National Institute of Radiological Sciences, 4-9-1, Anagawa, Inage, Chiba 263-8555 (Japan); Yamada, T. [Japan Radioisotope Association, 2-28-45, Hon-komagome, Bunkyo, Tokyo 113-8941 (Japan); National Metrology Institute of Japan, National Institute of Advanced Industrial Science and Technology, Quantum Radiation Division, Radioactivity and Neutron Section, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan); Tohoku University, 6-6, Aoba, Aramaki, Aoba, Sendai 980-8579 (Japan); Hasegawa, T. [Kitasato University, 1-15-1, Kitasato, Sagamihara, Kanagawa 228-8555 (Japan); Oda, K. [Tokyo Metropolitan Institute of Gerontology, 1-1 Nakacho, Itabashi-ku, Tokyo 173-0022 (Japan); Unno, Y.; Yunoki, A. [National Metrology Institute of Japan, National Institute of Advanced Industrial Science and Technology, Quantum Radiation Division, Radioactivity and Neutron Section, Tsukuba Central 2, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568 (Japan)
2010-07-15
In order to calibrate PET devices by a sealed point source, we contrived an absolute activity measurement method for the sealed point source using scintillation detector arrays. This new method was verified by EGS5 Monte Carlo simulation.
Monte Carlo Simulation Calculation of Critical Coupling Constant for Continuum \\phi^4_2
Loinaz, Will; Willey, R. S.
1997-01-01
We perform a Monte Carlo simulation calculation of the critical coupling constant for the continuum {\\lambda \\over 4} \\phi^4_2 theory. The critical coupling constant we obtain is [{\\lambda \\over \\mu^2}]_crit=10.24(3).
Monte Carlo simulation of diffuse attenuation coefficient in presence of non uniform profiles
Digital Repository Service at National Institute of Oceanography (India)
Desa, E.S.; Desai, R.G.P.; Desa, B.A.E.
This paper presents a Monte Carlo simulation of the vertical depth structure of the downward attenuation coefficient (K sub(d)), and the irradiance reflectance (R) for a given profile of chlorophyll. The results are in quantitaive agreement...
On-the-fly nuclear data processing methods for Monte Carlo simulations of fast spectrum systems
Energy Technology Data Exchange (ETDEWEB)
Walsh, Jon [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
2015-08-31
The presentation summarizes work performed over summer 2015 related to Monte Carlo simulations. A flexible probability table interpolation scheme has been implemented and tested with results comparing favorably to the continuous phase-space on-the-fly approach.
High Fidelity Imaging Algorithm for the Undique Imaging Monte Carlo Simulator
Directory of Open Access Journals (Sweden)
Tremblay Grégoire
2016-01-01
Full Text Available The Undique imaging Monte Carlo simulator (Undique hereafter was developed to reproduce the behavior of 3D imaging devices. This paper describes its high fidelity imaging algorithm.
Grand Canonical Ensemble Monte Carlo Simulation of Depletion Interactions in Colloidal Suspensions
Institute of Scientific and Technical Information of China (English)
GUO Ji-Yuan; XIAO Chang-Ming
2008-01-01
Depletion interactions in colloidal suspensions confined between two parallel plates are investigated by using acceptance ratio method with grand canonical ensemble Monte Carlo simulation.The numerical results show that both the depletion potential and depletion force are affected by the confinement from the two parallel plates.Furthermore,it is found that in the grand canonical ensemble Monte Carlo simulation,the depletion interactions are strongly affected by the generalized chemical potential.
Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations
Jiang, Zhang; Smelyanskiy, Vadim N.; Boixo, Sergio; Isakov, Sergei V.; Neven, Hartmut; Mazzola, Guglielmo; Troyer, Matthias
2015-01-01
Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.
A multi-platform linking code for fuel burnup and radiotoxicity analysis
Cunha, R.; Pereira, C.; Veloso, M. A. F.; Cardoso, F.; Costa, A. L.
2014-02-01
A linking code between ORIGEN2.1 and MCNP has been developed at the Departamento de Engenharia Nuclear/UFMG to calculate coupled neutronic/isotopic results for nuclear systems and to produce a large number of criticality, burnup and radiotoxicity results. In its previous version, it evaluated the isotopic composition evolution in a Heat Pipe Power System model as well as the radiotoxicity and radioactivity during lifetime cycles. In the new version, the code presents features such as multi-platform execution and automatic results analysis. Improvements made in the code allow it to perform simulations in a simpler and faster way without compromising accuracy. Initially, the code generates a new input for MCNP based on the decisions of the user. After that, MCNP is run and data, such as recoverable energy per prompt fission neutron, reaction rates and keff, are automatically extracted from the output and used to calculate neutron flux and cross sections. These data are then used to construct new ORIGEN inputs, one for each cell in the core. Each new input is run on ORIGEN and generates outputs that represent the complete isotopic composition of the core on that time step. The results show good agreement between GB (Coupled Neutronic/Isotopic code) and Monteburns (Automated, Multi-Step Monte Carlo Burnup Code System), developed by the Los Alamos National Laboratory.
OPTIMIZATION OF THE HYSPEC DESIGN USING MONTE CARLO SIMULATIONS.
Energy Technology Data Exchange (ETDEWEB)
GHOSH, V.J.; HAGEN, M.E.; LEONHARDT, W.J.; ZALIZNYAK, I.; SHAPIRO, S.M.; PASSELL, L.
2005-04-25
HYSPEC is a direct geometry spectrometer to be installed at the SNS [1] on beamline 14B where it will view a cryogenic coupled hydrogen moderator, The ''hybrid'' design combines time-of-flight spectroscopy with focusing Bragg optics to provide a high monochromatic flux on small single crystal samples, with a very low background at an extended detector bank. The instrument is optimized for an incident energy range of 3-90meV. It will have a medium energy resolution (2-10%) and will provide a flux on sample of the order of 10{sup 6}-10{sup 7} neutrons/s-cm{sup 2}. The spectrometer will be located in a satellite building outside the SNS experimental hall at the end of a 35m curved supermirror guide. A straight-slotted Fermi chopper will be used to monochromate the neutron beam and to determine the burst width. The 15cm high, 4cm wide beam will be focused onto a 2cm by 2cm area at the sample position using Bragg reflection from one of two crystal arrays. For unpolarized neutron studies these will be Highly Oriented Pyrolitic graphite crystals while for polarized neutron studies these will be replaced with Heusler alloy crystals. These focusing crystal arrays will be placed in a drum shield similar to those used for triple axis spectrometers. Hyspec will have a movable detector bank housing 160 position sensitive detectors. This detector bank will pivot about the sample axis. It will have a radius of 4.5m, a horizontal range of 60{sup o}, and a vertical range of {+-} 7.5{sup o}. In order to reduce background at the detector bank both a curved guide and a T0 chopper will be used. A bank of 20 supermirror bender polarization analyzers [2] will be used to spatially separate the polarized neutrons in the scattered beam so that both scattered neutron spin states can be measured simultaneously. The results of Monte Carlo simulations performed to optimize the instrument design will be discussed.
Quantum Monte Carlo simulations of bosons with complex interactions
Rousseau, Valery
2015-03-01
Many of the most exciting materials and phenomena being studied today, from oxide heterostructures to topological insulators or iron-based superconductors, are the ones in which an understanding of how quantum particles interact with each other is essential. In the last decade, the development and the improvement of quantum Monte Carlo algorithms combined with the increased power of computers has opened the way to the exact simulation of Hamiltonians that include various types of interactions, such as inter-species conversion terms or ring-exchange terms. Simultaneously, developments made in the field of optical lattices, laser cooling and magneto/optical trapping techniques have led to ideal realizations of such Hamiltonians. A wide variety of phases can be present, including Mott insulators and superfluids, as well as more exotic phases such as Haldane insulators, supersolids, counter-superfluids, or the recently proposed Feshbach insulator. These experimental realizations of the various forms of the Hubbard model can have interesting applications, in particular they provide a possible way of performing quantum computing, and have also given rise to a new field known as Atomtronics, the equivalent of Electronics where the carriers are replaced by atoms. I will illustrate these ideas with examples of Hamiltonians that have been studied and some results. In order to study these systems, it is crucial to identify the various phases that are present, which can be characterized by a set of order parameters. Of particular importance in this task is the superfluid density. It is well known that the superfluid density can be related to the response of the free energy to a boundary phase twist, or to the fluctuations of the winding number. However, these relationships break down when complex interactions are involved. To address this problem, I will propose a general expression of the superfluid density, derived from real and thought experiments. I will discuss two
ThO{sub 2}-UO{sub 2} annular pins for high burnup fuels
Energy Technology Data Exchange (ETDEWEB)
Caner, Marc; Dugan, Edward T
2000-06-01
The main purpose of this work is to investigate the use of annular fuel pins (particularly pins containing thorium dioxide) for high burnup fuel. The following parameters were evaluated and compared between postulated mixed thorium-uranium dioxide standard and annular (9% void fraction) type fuel assemblies, as a function of burnup: the infinite multiplication factor, the uranium and plutonium isotopic compositions, the fuel temperature coefficient of reactivity and the conversion ratio. We used the SCALE-4.3 code system. The calculation method consisted in obtaining actinide and fission product number densities as functions of assembly burnup, by means of a 1-D transport calculation combined with a 0-D burnup calculation. These number densities were then used in a 3-D Monte Carlo code for obtaining k{sub {infinity}} from two-dimensional-symmetry 'snapshots'.
Monte Carlo molecular simulation of phase-coexistence for oil production and processing
Li, Jun
2011-01-01
The Gibbs-NVT ensemble Monte Carlo method is used to simulate the liquid-vapor coexistence diagram and the simulation results of methane agree well with the experimental data in a wide range of temperatures. For systems with two components, the Gibbs-NPT ensemble Monte Carlo method is employed in the simulation while the mole fraction of each component in each phase is modeled as a Leonard-Jones fluid. As the results of Monte Carlo simulations usually contain huge statistical error, the blocking method is used to estimate the variance of the simulation results. Additionally, in order to improve the simulation efficiency, the step sizes of different trial moves is adjusted automatically so that their acceptance probabilities can approach to the preset values.
Institute of Scientific and Technical Information of China (English)
H.M. Li; Z.J. Ding
2005-01-01
A new parallel Monte Carlo simulation method of secondary electron (SE) and backscattered electron images (BSE) of scanning electron microscopy (SEM) for a complex geometric structure has been developed. This paper describes briefly the simulation method and the modification to the conventional sampling method for the step length. Example simulation results have been obtained for several artificial structures.
Ainscow, E K; Brand, M D
1998-09-21
The errors associated with experimental application of metabolic control analysis are difficult to assess. In this paper, we give examples where Monte-Carlo simulations of published experimental data are used in error analysis. Data was simulated according to the mean and error obtained from experimental measurements and the simulated data was used to calculate control coefficients. Repeating the simulation 500 times allowed an estimate to be made of the error implicit in the calculated control coefficients. In the first example, state 4 respiration of isolated mitochondria, Monte-Carlo simulations based on the system elasticities were performed. The simulations gave error estimates similar to the values reported within the original paper and those derived from a sensitivity analysis of the elasticities. This demonstrated the validity of the method. In the second example, state 3 respiration of isolated mitochondria, Monte-Carlo simulations were based on measurements of intermediates and fluxes. A key feature of this simulation was that the distribution of the simulated control coefficients did not follow a normal distribution, despite simulation of the original data being based on normal distributions. Consequently, the error calculated using simulation was greater and more realistic than the error calculated directly by averaging the original results. The Monte-Carlo simulations are also demonstrated to be useful in experimental design. The individual data points that should be repeated in order to reduce the error in the control coefficients can be highlighted.
Burrows, John
2013-04-01
An introduction to the use of the mathematical technique of Monte Carlo simulations to evaluate least squares regression calibration is described. Monte Carlo techniques involve the repeated sampling of data from a population that may be derived from real (experimental) data, but is more conveniently generated by a computer using a model of the analytical system and a randomization process to produce a large database. Datasets are selected from this population and fed into the calibration algorithms under test, thus providing a facile way of producing a sufficiently large number of assessments of the algorithm to enable a statically valid appraisal of the calibration process to be made. This communication provides a description of the technique that forms the basis of the results presented in Parts II and III of this series, which follow in this issue, and also highlights the issues arising from the use of small data populations in bioanalysis.
Deterministic sensitivity analysis for first-order Monte Carlo simulations: a technical note.
Geisler, Benjamin P; Siebert, Uwe; Gazelle, G Scott; Cohen, David J; Göhler, Alexander
2009-01-01
Monte Carlo microsimulations have gained increasing popularity in decision-analytic modeling because they can incorporate discrete events. Although deterministic sensitivity analyses are essential for interpretation of results, it remains difficult to combine these alongside Monte Carlo simulations in standard modeling packages without enormous time investment. Our purpose was to facilitate one-way deterministic sensitivity analysis of TreeAge Markov state-transition models requiring first-order Monte Carlo simulations. Using TreeAge Pro Suite 2007 and Microsoft Visual Basic for EXCEL, we constructed a generic script that enables one to perform automated deterministic one-way sensitivity analyses in EXCEL employing microsimulation models. In addition, we constructed a generic EXCEL-worksheet that allows for use of the script with little programming knowledge. Linking TreeAge Pro Suite 2007 and Visual Basic enables the performance of deterministic sensitivity analyses of first-order Monte Carlo simulations. There are other potentially interesting applications for automated analysis.
Energy Technology Data Exchange (ETDEWEB)
Liang, Jingang; Wang, Kan; Qiu, Yishu [Dept. of Engineering Physics, LiuQing Building, Tsinghua University, Beijing (China); Chai, Xiao Ming; Qiang, Sheng Long [Science and Technology on Reactor System Design Technology Laboratory, Nuclear Power Institute of China, Chengdu (China)
2016-06-15
Because of prohibitive data storage requirements in large-scale simulations, the memory problem is an obstacle for Monte Carlo (MC) codes in accomplishing pin-wise three-dimensional (3D) full-core calculations, particularly for whole-core depletion analyses. Various kinds of data are evaluated and quantificational total memory requirements are analyzed based on the Reactor Monte Carlo (RMC) code, showing that tally data, material data, and isotope densities in depletion are three major parts of memory storage. The domain decomposition method is investigated as a means of saving memory, by dividing spatial geometry into domains that are simulated separately by parallel processors. For the validity of particle tracking during transport simulations, particles need to be communicated between domains. In consideration of efficiency, an asynchronous particle communication algorithm is designed and implemented. Furthermore, we couple the domain decomposition method with MC burnup process, under a strategy of utilizing consistent domain partition in both transport and depletion modules. A numerical test of 3D full-core burnup calculations is carried out, indicating that the RMC code, with the domain decomposition method, is capable of pin-wise full-core burnup calculations with millions of depletion regions.
ATR PDQ and MCWO Fuel Burnup Analysis Codes Evaluation
Energy Technology Data Exchange (ETDEWEB)
G.S. Chang; P. A. Roth; M. A. Lillo
2009-11-01
The Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL) is being studied to determine the feasibility of converting it from the highly enriched Uranium (HEU) fuel that is currently uses to low enriched Uranium (LEU) fuel. In order to achieve this goal, it would be best to qualify some different computational methods than those that have been used at ATR for the past 40 years. This paper discusses two methods of calculating the burnup of ATR fuel elements. The existing method, that uses the PDQ code, is compared to a modern method that uses A General Monte Carlo N-Particle Transport Code (MCNP) combined with the Origen2.2 code. This modern method, MCNP with ORIGEN2.2 (MCWO), is found to give excellent agreement with the existing method (PDQ). Both of MCWO and PDQ are also in a very good agreement to the 235U burnup data generated by an analytical method.
Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry
Energy Technology Data Exchange (ETDEWEB)
Bostani, Maryam, E-mail: mbostani@mednet.ucla.edu; McMillan, Kyle; Cagnon, Chris H.; McNitt-Gray, Michael F. [Departments of Biomedical Physics and Radiology, David Geffen School of Medicine, University of California, Los Angeles, Los Angeles, California 90024 (United States); Mueller, Jonathon W. [United States Air Force, Keesler Air Force Base, Biloxi, Mississippi 39534 (United States); Cody, Dianna D. [University of Texas M.D. Anderson Cancer Center, Houston, Texas 77030 (United States); DeMarco, John J. [Departments of Biomedical Physics and Radiation Oncology, David Geffen School of Medicine, University of California, Los Angeles, Los Angeles, California 90024 (United States)
2015-02-15
Purpose: The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. Methods: MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for all exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. Results: The calculated mean percent difference between TLD measurements and Monte Carlo simulations was −4.9% with standard deviation of 8.7% and a range of −22.7% to 5.7%. Conclusions: The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.
SKIRT: the design of a suite of input models for Monte Carlo radiative transfer simulations
Baes, Maarten
2015-01-01
The Monte Carlo method is the most popular technique to perform radiative transfer simulations in a general 3D geometry. The algorithms behind and acceleration techniques for Monte Carlo radiative transfer are discussed extensively in the literature, and many different Monte Carlo codes are publicly available. On the contrary, the design of a suite of components that can be used for the distribution of sources and sinks in radiative transfer codes has received very little attention. The availability of such models, with different degrees of complexity, has many benefits. For example, they can serve as toy models to test new physical ingredients, or as parameterised models for inverse radiative transfer fitting. For 3D Monte Carlo codes, this requires algorithms to efficiently generate random positions from 3D density distributions. We describe the design of a flexible suite of components for the Monte Carlo radiative transfer code SKIRT. The design is based on a combination of basic building blocks (which can...
A Monte Carlo algorithm for simulating fermions on Lefschetz thimbles
Alexandru, Andrei; Bedaque, Paulo
2016-01-01
A possible solution of the notorious sign problem preventing direct Monte Carlo calculations for systems with non-zero chemical potential is to deform the integration region in the complex plane to a Lefschetz thimble. We investigate this approach for a simple fermionic model. We introduce an easy to implement Monte Carlo algorithm to sample the dominant thimble. Our algorithm relies only on the integration of the gradient flow in the numerically stable direction, which gives it a distinct advantage over the other proposed algorithms. We demonstrate the stability and efficiency of the algorithm by applying it to an exactly solvable fermionic model and compare our results with the analytical ones. We report a very good agreement for a certain region in the parameter space where the dominant contribution comes from a single thimble, including a region where standard methods suffer from a severe sign problem. However, we find that there are also regions in the parameter space where the contribution from multiple...
Estimation of beryllium ground state energy by Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Kabir, K. M. Ariful [Department of Physical Sciences, School of Engineering and Computer Science, Independent University, Bangladesh (IUB) Dhaka (Bangladesh); Halder, Amal [Department of Mathematics, University of Dhaka Dhaka (Bangladesh)
2015-05-15
Quantum Monte Carlo method represent a powerful and broadly applicable computational tool for finding very accurate solution of the stationary Schrödinger equation for atoms, molecules, solids and a variety of model systems. Using variational Monte Carlo method we have calculated the ground state energy of the Beryllium atom. Our calculation are based on using a modified four parameters trial wave function which leads to good result comparing with the few parameters trial wave functions presented before. Based on random Numbers we can generate a large sample of electron locations to estimate the ground state energy of Beryllium. Our calculation gives good estimation for the ground state energy of the Beryllium atom comparing with the corresponding exact data.
Monte Carlo simulations of the Galileo energetic particle detector
Jun, I; Garrett, H B; McEntire, R W
2002-01-01
Monte Carlo radiation transport studies have been performed for the Galileo spacecraft energetic particle detector (EPD) in order to study its response to energetic electrons and protons. Three-dimensional Monte Carlo radiation transport codes, MCNP version 4B (for electrons) and MCNPX version 2.2.3 (for protons), were used throughout the study. The results are presented in the form of 'geometric factors' for the high-energy channels studied in this paper: B1, DC2, and DC3 for electrons and B0, DC0, and DC1 for protons. The geometric factor is the energy-dependent detector response function that relates the incident particle fluxes to instrument count rates. The trend of actual data measured by the EPD was successfully reproduced using the geometric factors obtained in this study.
Monte Carlo simulation of NSE at reactor and spallation sources
Energy Technology Data Exchange (ETDEWEB)
Zsigmond, G.; Wechsler, D.; Mezei, F. [Hahn-Meitner-Institut Berlin, Berlin (Germany)
2001-03-01
A MC (Monte Carlo) computation study of NSE (Neutron Spin Echo) has been performed by means of VITESS investigating the classic and TOF-NSE options at spallation sources. The use of white beams in TOF-NSE makes the flipper efficiency in function of the neutron wavelength an important issue. The emphasis was put on exact evaluation of flipper efficiencies for wide wavelength-band instruments. (author)
Monte Carlo simulations to replace film dosimetry in IMRT verification
Goetzfried, Thomas; Rickhey, Mark; Treutwein, Marius; Koelbl, Oliver; Bogner, Ludwig
2011-01-01
Patient-specific verification of intensity-modulated radiation therapy (IMRT) plans can be done by dosimetric measurements or by independent dose or monitor unit calculations. The aim of this study was the clinical evaluation of IMRT verification based on a fast Monte Carlo (MC) program with regard to possible benefits compared to commonly used film dosimetry. 25 head-and-neck IMRT plans were recalculated by a pencil beam based treatment planning system (TPS) using an appropriate quality assu...
Continuous Time Quantum Monte Carlo simulation of Kondo shuttling
Zhang, Peng; Assaad, Fakher; Jarrell, Mark
2010-03-01
The Kondo shuttling problem is investigated by using the Continuous Time Quantum Monte Carlo method in both the anti-adiabatic limit φTK and the intermediate regime φ˜TK, where φ is the phonon modulation frequency and TK is the Kondo temperature. We investigate the potential emergence of Kondo effect or Kondo breakdown as a function of the phonon modulation frequency and electron-phonon coupling. This research is supported by grant OISE-0952300.
Zaidi, H
1999-01-01
the many applications of Monte Carlo modelling in nuclear medicine imaging make it desirable to increase the accuracy and computational speed of Monte Carlo codes. The accuracy of Monte Carlo simulations strongly depends on the accuracy in the probability functions and thus on the cross section libraries used for photon transport calculations. A comparison between different photon cross section libraries and parametrizations implemented in Monte Carlo simulation packages developed for positron emission tomography and the most recent Evaluated Photon Data Library (EPDL97) developed by the Lawrence Livermore National Laboratory was performed for several human tissues and common detector materials for energies from 1 keV to 1 MeV. Different photon cross section libraries and parametrizations show quite large variations as compared to the EPDL97 coefficients. This latter library is more accurate and was carefully designed in the form of look-up tables providing efficient data storage, access, and management. Toge...
Optical coherence tomography: Monte Carlo simulation and improvement by optical amplification
DEFF Research Database (Denmark)
Tycho, Andreas
2002-01-01
An advanced novel Monte Carlo simulation model of the detection process of an optical coherence tomography (OCT) system is presented. For the first time it is shown analytically that the applicability of the incoherent Monte Carlo approach to model the heterodyne detection process of an OCT system...... model of the OCT signal. The OCT signal from a scattering medium are obtained for several beam and sample geometries using the new Monte Carlo model, and when comparing to results of an analytical model based on the extended Huygens-Fresnel principle excellent agreement is obtained. With the greater...... flexibility of Monte Carlo simulations, this new model is demonstrated to be excellent as a numerical phantom, i.e., as a substitute for otherwise difficult experiments. Finally, a new model of the signal-to-noise ratio (SNR) of an OCT system with optical amplification of the light reflected from the sample...
Dynamic Monte Carlo simulation of chain growth polymerization and its concentration effect
Institute of Scientific and Technical Information of China (English)
LüWenqi
2005-01-01
[1]He, J., Zhang, H., Chen, J. et al., Monte Carlo simulation of kinetics and chain length distributions in living free-radical polymerization, Macromolecules, 1997, 30: 8010-8018.[2]Li, L., He, J., Yang, Y., Monte Carlo simulation on living radical polymerization with RAFT process, Chem. J. Chinese Univ. (in Chinese), 2000, 21(7): 1146-1148.[3]Ling, J., Shen, Z., Chen W., Algorithm and application of Monte Carlo simulation for multi-dispersive copolymerization system, Science in China, Series B, 2002, 45(3): 243-250.[4]Butte, A., Storti, G., Morbidelli, M., Evaluation of the chain length distribution in free-radical polymerization, 1. Bulk polymerization, Macromol. Theory Simul., 2002, 11: 22-36.[5]Smith, G. B., Russell, G. T., Heuts, J. P. A., Termination in dilute-solution free-radical polymerization: A composite model, Macromol. Theory Simul., 2003, 12: 299-314.[6]Zetterlund, P. B., Yamazoe, H., Yamada, B., Free radical bulk po- lymerization of styrene: Simulation of molecular weight distribu- tions to high conversion using experimentally obtained rate coef- ficients, Macromol. Theory Simul., 2003, 12: 379-385.[7]Binder, K., Paul, W., Monte Carlo simulations of polymer dy- namics: Recent advances, J. Polym. Sci., Polym. Phys. Ed., 1997, 35(1): 1-31.[8]Rouault, Y., Milchev, A., Monte Carlo study of living polymers with the bond-fluctuation method, Phys. Rev. E, 1995, 51(6): 5905-5910.[9]Jo, W. H., Lee, J. W., Lee, M. S. et al., Effect of interchange reactions on the molecular weight distribution of poly(ethylene terephthalate): A Monte Carlo simulation, J. Polym. Sci., Polym. Phys. Ed., 1996, 34: 725-729.[10]Jang, S. S., Ha, W. S., Jo, W. H. et al., Monte Carlo simulation of copolymerization by ester interchange reaction in miscible polyester blends, J. Polym. Sci., Polym. Phys. Ed., 1998, 36: 1637-1645.[11]Lee, Y. U., Jang, S. S., Jo, W. H., Off-lattice Monte Carlo simulation of hyperbranched polymers, 1. Polycondensation of AB2 type monomers, Macromol. Theory
Hinzke, Denise; Nowak, Ulrich
1999-01-01
Using Monte Carlo methods we investigate the thermally activated magnetization switching of small ferromagnetic particles driven by an external magnetic field. For low uniaxial anisotropy one expects that the spins rotate coherently while for sufficiently large anisotropy the reversal should be due to nucleation. The latter case has been investigated extensively by Monte Carlo simulation of corresponding Ising models. In order to study the crossover from coherent rotation to nucleation we use...
Catfish: A Monte Carlo simulator for black holes at the LHC
Cavaglià, M; Cremaldi, L; Summers, D
2006-01-01
We present a new Fortran Monte Carlo generator to simulate black hole events at CERN's Large Hadron Collider. The generator interfaces to the PYTHIA Monte Carlo fragmentation code. The physics of the BH generator includes, but not limited to, inelasticity effects, exact field emissivities, corrections to semiclassical black hole evaporation and gravitational energy loss at formation. These features are essential to realistically reconstruct the detector response and test different models of black hole formation and decay at the LHC.
Catfish: A Monte Carlo simulator for black holes at the LHC
Cavaglià, M.; Godang, R.; Cremaldi, L.; Summers, D.
2007-09-01
We present a new Fortran Monte Carlo generator to simulate black hole events at CERN's Large Hadron Collider. The generator interfaces to the PYTHIA Monte Carlo fragmentation code. The physics of the BH generator includes, but not limited to, inelasticity effects, exact field emissivities, corrections to semiclassical black hole evaporation and gravitational energy loss at formation. These features are essential to realistically reconstruct the detector response and test different models of black hole formation and decay at the LHC.
Energy Technology Data Exchange (ETDEWEB)
NONE
2001-01-01
In the report, research results discussed in 1999 fiscal year at Nuclear Code Evaluation Committee of Nuclear Code Research Committee were summarized. Present status of Monte Carlo simulation on nuclear energy study was described. Especially, besides of criticality, shielding and core analyses, present status of applications to risk and radiation damage analyses, high energy transport and nuclear theory calculations of Monte Carlo Method was described. The 18 papers are indexed individually. (J.P.N.)
A new Monte Carlo simulation model for laser transmission in smokescreen based on MATLAB
Lee, Heming; Wang, Qianqian; Shan, Bin; Li, Xiaoyang; Gong, Yong; Zhao, Jing; Peng, Zhong
2016-11-01
A new Monte Carlo simulation model of laser transmission in smokescreen is promoted in this paper. In the traditional Monte Carlo simulation model, the radius of particles is set at the same value and the initial cosine value of photons direction is fixed also, which can only get the approximate result. The new model is achieved based on MATLAB and can simulate laser transmittance in smokescreen with different sizes of particles, and the output result of the model is close to the real scenarios. In order to alleviate the influence of the laser divergence while traveling in the air, we changed the initial direction cosine of photons on the basis of the traditional Monte Carlo model. The mixed radius particle smoke simulation results agree with the measured transmittance under the same experimental conditions with 5.42% error rate.
Public repository with Monte Carlo simulations for high-energy particle collision experiments
Chekanov, S V
2016-01-01
Planning high-energy collision experiments for the next few decades requires extensive Monte Carlo simulations in order to accomplish physics goals of these experiments. Such simulations are essential for understanding fundamental physics processes, as well as for setting up the detector parameters that help establish R&D projects required over the next few decades. This paper describes a public repository with Monte Carlo event samples before and after detector-response simulation. The goal of this repository is to facilitate the accomplishment of many goals in planning a next generation of particle experiments.
Monte Carlo Simulations of Random Frustrated Systems on Graphics Processing Units
Feng, Sheng; Fang, Ye; Hall, Sean; Papke, Ariane; Thomasson, Cade; Tam, Ka-Ming; Moreno, Juana; Jarrell, Mark
2012-02-01
We study the implementation of the classical Monte Carlo simulation for random frustrated models using the multithreaded computing environment provided by the the Compute Unified Device Architecture (CUDA) on modern Graphics Processing Units (GPU) with hundreds of cores and high memory bandwidth. The key for optimizing the performance of the GPU computing is in the proper handling of the data structure. Utilizing the multi-spin coding, we obtain an efficient GPU implementation of the parallel tempering Monte Carlo simulation for the Edwards-Anderson spin glass model. In the typical simulations, we find over two thousand times of speed-up over the single threaded CPU implementation.
Monte Carlo simulations of dense gas flow and heat transfer in micro- and nano-channels
Institute of Scientific and Technical Information of China (English)
WANG Moran; LI Zhixin
2005-01-01
The dense gas flow and heat transfer in micro- and nano-channels was simulated using the Enskog simulation Monte Carlo (ESMC) method. The results were compared with those from the direct simulation Monte Carlo (DSMC) method and from the consistent Boltzmann algorithm (CBA). The dense gas flow and heat transfer characteristics were thus analyzed. The results showed that when the gas density was large enough, the finite gas density effect on the flow and heat transfer cannot be ignored, which decreased the skin friction coefficient and changed the heat transfer characteristics on the channel wall surfaces.
Incorporation of polarization effects in Monte Carlo simulations of radiative heat transfer
Energy Technology Data Exchange (ETDEWEB)
Lo, C.; Palmer, B.J.; Drost, M.K. [Pacific Northwest Lab., Richland, WA (United States); Welty, J.R. [Oregon State Univ., Corvallis, OR (United States)
1995-02-01
The electric field vector of individual photons has been incorporated into Monte Carlo simulations of radiative heat transfer to examine the effects of polarization on the optical properties of arrays of fixed discrete surfaces. Simulations are performed on arrays that have specular surfaces with high and low reflectivity. Two different arrays are illuminated by polarized and unpolarized light and compared with conventional Monte Carlo simulations. The results show that if the initial illumination is either partially or fully polarized, polarization effects are substantial, especially for low-reflectivity surfaces and for arrays that favor a large number of grazing-angle reflections.
Calibration of burnup monitor installed in Rokkasho Reprocessing Plant
Energy Technology Data Exchange (ETDEWEB)
Oeda, Kaoru; Naito, Hirofumi; Hirota, Masanari [Japan Nuclear Fuel Co. Ltd., Rokkasho, Aomori (Japan); Natsume, Koichiro [Isogo Engineering Center, Toshiba Corporation, Yokohama, Kanagawa (Japan); Kumanomido, Hironori [Nuclear Engineering Laboratory, Toshiba Corporation, Kawasaki, Kanagawa (Japan)
2000-06-01
Rokkasho Reprocessing Plant uses burnup credit for criticality control at the Spent Fuel Storage Facility (SFSF) and the Dissolution Facility. A burnup monitor measures nondestructively burnup value of a spent fuel assembly and guarantees the credit for burnup. For practical reasons, a standard radiation source is not used in calibration of the burnup monitor, but the burnup values of many spent fuel assemblies are measured based on operator-declared burnup values. This paper describes the concept of burnup credit, the burnup monitor, and the calibration method. It is concluded, from the results of calibration tests, that the calibration method is valid. (author)
Monte Carlo simulations of radio emission from cosmic ray air showers
Huege, T.; Falcke, H.D.E.
2006-01-01
As a basis for the interpretation of data gathered by LOPES and other experiments, we have carried out Monte Carlo simulations of geosynchrotron radio emission from cosmic ray air showers. The simulations, having been verified carefully with analytical calculations, reveal a wealth of information on
Maucec, M.; Rigollet, C.
2004-01-01
The performance of a detection system based on the pulsed fast/thermal neutron analysis technique was assessed using Monte Carlo simulations. The aim was to develop and implement simulation methods, to support and advance the data analysis techniques of the characteristic gamma-ray spectra, potentia
Versluis, R.; Dorsman, R.; Thielen, L.; Roos, M.E.
2009-01-01
A new approach for performing numerical direct simulation Monte Carlo (DSMC) simulations on turbomolecular pumps in the free molecular and transitional flow regimes is described. The chosen approach is to use surfaces that move relative to the grid to model the effect of rotors and stators on a gas
Monte-Carlo simulation on the cold neutron guides at CARR
Energy Technology Data Exchange (ETDEWEB)
Guo Liping; Wang Hongli; Yang Tonghua; Cheng Zhixu; Liu Yi [China Institute of Atomic Energy, Neutron Scattering Laboratory, Beijing (China)
2003-03-01
The designs of the two cold neutron guides to be built at China Advanced Research Reactor (CARR) are simulated with Monte-Carlo simulation software VITESS. Various parameters of the guides, e.g. transmission efficiency, neutron flux, divergence, etc., are obtained. (author)
Monte-Carlo Tree Search for Simulated Car Racing
DEFF Research Database (Denmark)
Fischer, Jacob; Falsted, Nikolaj; Vielwerth, Mathias
2015-01-01
Monte Carlo Tree Search (MCTS) has recently seen considerable success in playing certain types of games, most of which are discrete, fully observable zero-sum games. Consequently there is currently considerable interest within the research community in investigating what other games this algorithm...... of the action space. This combination allows the controller to effectively search the tree of potential future states. Results show that it is indeed possible to implement a competent MCTS-based racing controller. The controller generalizes to most road tracks as long as a warm-up period is provided....
Monte-Carlo Tree Search for Simulated Car Racing
DEFF Research Database (Denmark)
Fischer, Jacob; Falsted, Nikolaj; Vielwerth, Mathias
2015-01-01
Monte Carlo Tree Search (MCTS) has recently seen considerable success in playing certain types of games, most of which are discrete, fully observable zero-sum games. Consequently there is currently considerable interest within the research community in investigating what other games this algorithm...... of the action space. This combination allows the controller to effectively search the tree of potential future states. Results show that it is indeed possible to implement a competent MCTS-based racing controller. The controller generalizes to most road tracks as long as a warm-up period is provided....
Monte Carlo simulations of the stability of delta-Pu
DEFF Research Database (Denmark)
Landa, A.; Soderlind, P.; Ruban, Andrei
2003-01-01
The transition temperature (T-c) for delta-Pu has been calculated for the first time. A Monte Carlo method is employed for this purpose and the effective cluster interactions are obtained from first-principles calculations incorporated with the Connolly-Williams and generalized perturbation methods....... It is found that at T-c similar to 548 K, delta-Pu undergoes transformation from a disordered magnetic state to a structure with an anti ferromagnetic spin alignment that is mechanically unstable with respect to tetragonal distortion. The calculated transition temperature is in good agreement...
Monte Carlo simulations of the stability of delta-Pu
Landa, A; Ruban, A
2003-01-01
The transition temperature (T sub c) for delta-Pu has been calculated for the first time. A Monte Carlo method is employed for this purpose and the effective cluster interactions are obtained from first-principles calculations incorporated with the Connolly-Williams and generalized perturbation methods. It is found that at T sub c approx 548 K, delta-Pu undergoes transformation from a disordered magnetic state to a structure with an antiferromagnetic spin alignment that is mechanically unstable with respect to tetragonal distortion. The calculated transition temperature is in good agreement with the temperature measured at the gamma -> delta transition (593 K). (letter to the editor)
Energy Technology Data Exchange (ETDEWEB)
Morillon, B.
1996-12-31
With most of the traditional and contemporary techniques, it is still impossible to solve the transport equation if one takes into account a fully detailed geometry and if one studies precisely the interactions between particles and matters. Only the Monte Carlo method offers such a possibility. However with significant attenuation, the natural simulation remains inefficient: it becomes necessary to use biasing techniques where the solution of the adjoint transport equation is essential. The Monte Carlo code Tripoli has been using such techniques successfully for a long time with different approximate adjoint solutions: these methods require from the user to find out some parameters. If this parameters are not optimal or nearly optimal, the biases simulations may bring about small figures of merit. This paper presents a description of the most important biasing techniques of the Monte Carlo code Tripoli ; then we show how to calculate the importance function for general geometry with multigroup cases. We present a completely automatic biasing technique where the parameters of the biased simulation are deduced from the solution of the adjoint transport equation calculated by collision probabilities. In this study we shall estimate the importance function through collision probabilities method and we shall evaluate its possibilities thanks to a Monte Carlo calculation. We compare different biased simulations with the importance function calculated by collision probabilities for one-group and multigroup problems. We have run simulations with new biasing method for one-group transport problems with isotropic shocks and for multigroup problems with anisotropic shocks. The results show that for the one-group and homogeneous geometry transport problems the method is quite optimal without splitting and russian roulette technique but for the multigroup and heterogeneous X-Y geometry ones the figures of merit are higher if we add splitting and russian roulette technique.
Monte Carlo simulation of classical spin models with chaotic billiards.
Suzuki, Hideyuki
2013-11-01
It has recently been shown that the computing abilities of Boltzmann machines, or Ising spin-glass models, can be implemented by chaotic billiard dynamics without any use of random numbers. In this paper, we further numerically investigate the capabilities of the chaotic billiard dynamics as a deterministic alternative to random Monte Carlo methods by applying it to classical spin models in statistical physics. First, we verify that the billiard dynamics can yield samples that converge to the true distribution of the Ising model on a small lattice, and we show that it appears to have the same convergence rate as random Monte Carlo sampling. Second, we apply the billiard dynamics to finite-size scaling analysis of the critical behavior of the Ising model and show that the phase-transition point and the critical exponents are correctly obtained. Third, we extend the billiard dynamics to spins that take more than two states and show that it can be applied successfully to the Potts model. We also discuss the possibility of extensions to continuous-valued models such as the XY model.
Three dimensional Monte Carlo simulations of ionized nebulae
Ercolano, Barbara
2002-12-01
The study of photoionized environments is fundamental to many astrophysical problems. Up to the present most photoionization codes have numerically solved the equations of radiative transfer by making the extreme simplifying assumption of spherical symmetry. Unfortunately very few real astronomical nebulae satisfy this requirement. To remedy these shortcomings, a self-consistent, three-dimensional radiative transfer code has been developed using Monte Carlo techniques. The code, Mocassin, is designed to build realistic models of photoionized nebulae having arbitrary geometries and density distributions with both the stellar and diffuse radiation fields treated self-consistently. In addition, the code is capable of treating one or more exciting stars located at non-central locations. The gaseous region is approximated by a cuboidal Cartesian grid composed of numerous cells. The physical conditions within each grid cell are determined by solving the thermal equilibrium and ionization balance equations. This requires a knowledge of the local primary and secondary radiation fields, which are calculated self-consistently by locally simulating the individual processes of ionization and recombination. The main structure and computational methods used in the Mocassin code are described in this thesis. Mocassin has been benchmarked against established one-dimensional spherically symmetric codes for a number of standard cases, as defined by the Lexington/Meudon photoionization workshops (Pequignot, 1986; Ferland et al., 1995; Pequignot et al., 2001). The results obtained for the benchmark cases are satisfactory and are presented in this work. A performance analysis has also been carried out and is discussed here. The code has been applied to construct a realistic model of the planetary nebula NGC 3918. Three different geometric models were tried, the first being the biconical density distribution already used by Clegg et al. (1987). In this model the nebula is approximated
Burnup analysis of the VVER-1000 reactor using thorium-based fuel
Energy Technology Data Exchange (ETDEWEB)
Korkmaz, Mehmet E.; Agar, Osman; Bueyueker, Eylem [Karamanoglu Mehmetbey Univ., Karaman (Turkey). Faculty of Kamil Ozdag Science
2014-12-15
This paper aims to investigate {sup 232}Th/{sup 233}U fuel cycles in a VVER-1000 reactor through calculation by computer. The 3D core geometry of VVER-1000 system was designed using the Serpent Monte Carlo 1.1.19 Code. The Serpent Code using parallel programming interface (Message Passing Interface-MPI), was run on a workstation with 12-core and 48 GB RAM. {sup 232}Th/{sup 235}U/{sup 238}U oxide mixture was considered as fuel in the core, when the mass fraction of {sup 232}Th was increased as 0.05-0.1-0.2-0.3-0.4 respectively, the mass fraction of {sup 238}U equally was decreased. In the system, the calculations were made for 3 000 MW thermal power. For the burnup analyses, the core is assumed to deplete from initial fresh core up to a burnup of 16 MWd/kgU without refuelling considerations. In the burnup calculations, a burnup interval of 360 effective full power days (EFPDs) was defined. According to burnup, the mass changes of the {sup 232}Th, {sup 233}U, {sup 238}U, {sup 237}Np, {sup 239}Pu, {sup 241}Am and {sup 244}Cm were evaluated, and also flux and criticality of the system were calculated in dependence of the burnup rate.
Data decomposition of Monte Carlo particle transport simulations via tally servers
Energy Technology Data Exchange (ETDEWEB)
Romano, Paul K., E-mail: paul.k.romano@gmail.com [Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 77 Massachusetts Ave., Cambridge, MA 02139 (United States); Siegel, Andrew R., E-mail: siegala@mcs.anl.gov [Argonne National Laboratory, Theory and Computing Sciences, 9700 S Cass Ave., Argonne, IL 60439 (United States); Forget, Benoit, E-mail: bforget@mit.edu [Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 77 Massachusetts Ave., Cambridge, MA 02139 (United States); Smith, Kord, E-mail: kord@mit.edu [Massachusetts Institute of Technology, Department of Nuclear Science and Engineering, 77 Massachusetts Ave., Cambridge, MA 02139 (United States)
2013-11-01
An algorithm for decomposing large tally data in Monte Carlo particle transport simulations is developed, analyzed, and implemented in a continuous-energy Monte Carlo code, OpenMC. The algorithm is based on a non-overlapping decomposition of compute nodes into tracking processors and tally servers. The former are used to simulate the movement of particles through the domain while the latter continuously receive and update tally data. A performance model for this approach is developed, suggesting that, for a range of parameters relevant to LWR analysis, the tally server algorithm should perform with minimal overhead on contemporary supercomputers. An implementation of the algorithm in OpenMC is then tested on the Intrepid and Titan supercomputers, supporting the key predictions of the model over a wide range of parameters. We thus conclude that the tally server algorithm is a successful approach to circumventing classical on-node memory constraints en route to unprecedentedly detailed Monte Carlo reactor simulations.
In silico radiobiology: Have we reached the limit of Monte Carlo simulations?
Gholami, Y.; Toghyani, M.; Champion, C.; Kuncic, Z.
2014-03-01
Monte Carlo radiation transport models are increasingly being used to simulate biological damage. However, such radiation biophysics simulations require realistic molecular models for water, whereas existing Monte Carlo models are limited by their use of atomic cross-sections, which become inadequate for accurately modelling interactions of the very low-energy electrons that are responsible for biological damage. In this study, we borrow theoretical methods commonly employed in molecular dynamics simulations to model the molecular wavefunction of the water molecule as the first step towards deriving new molecular cross-sections. We calculate electron charge distributions for molecular water and find non-negligible differences between the vapor and liquid phases that can be attributed to intermolecular bonding in the condensed phase. We propose that a hybrid Monte Carlo - Molecular Dynamics (MC-MD) approach to modelling radiation biophysics will provide new insights into radiation damage and new opportunities to develop targeted molecular therapy strategies.
Directory of Open Access Journals (Sweden)
P.Orea
2003-01-01
Full Text Available We have performed Monte Carlo simulations in the canonical ensemble of a hard-sphere fluid adsorbed in microporous media. The pressure of the adsorbed fluid is calculated by using an original procedure that includes the calculations of the pressure tensor components during the simulation. In order to confirm the equivalence of bulk and adsorbed fluid pressures, we have exploited the mechanical condition of equilibrium and performed additional canonical Monte Carlo simulations in a super system "bulk fluid + adsorbed fluid". When the configuration of a model porous media permits each of its particles to be in contact with adsorbed fluid particles, we found that these pressures are equal. Unlike the grand canonical Monte Carlo method, the proposed calculation approach can be used efficiently to obtain adsorption isotherms over a wide range of fluid densities and porosities of adsorbent.
Energy Technology Data Exchange (ETDEWEB)
Seidenberger, Katrin; Wilhelm, Florian; Scholta, Joachim [Zentrum fuer Sonnenenergie- und Wasserstoff-Forschung Baden-Wuerttemberg (ZSW), Ulm (Germany)
2011-04-15
The life of a fuel cell is determined by the life of its components. A Monte Carlo model developed by Zentrum fuer Sonnenenergie- und Wasserstoff-Forschung Baden-Wuerttemberg (ZWS) focuses on the gas diffusion layer (GDL). The simulation program assumes a medium-scale water distribution, thus enabling the detection of water accumulation in the GDL. The results can be compared with experimental data, e.g. from synchrotron tomography measurements, and verified.
Combining cellular automata and Monte Carlo algorithm to simulate three-dimensional grain growth
Institute of Scientific and Technical Information of China (English)
WANG Wei; CHEN Ju-hua; GUO Pei-quan; ZHAO Ping
2006-01-01
A 3-D simulation of grain growth was conducted by utilizing cellular automata (CA) and Monte Carlo (MC) algorithm. In the simulating procedure, the three-dimensional space is divided into a large number of 2-D isometric planes. Then, each of the planes is divided into identical square cells. Finally, the cellular automata and Monte Carlo algorithm are combined together to simulate the grain growth. Through an evolutionary simulation, the recrystallized microstructure, the grain growth rate and the grain size distribution are acceptably predicted. The simulation routine can be used to simulate the real physical-metallurgy processes and to predict quantitative dynamic information of the evolution of microstructure. Further more, the method is also useful for optimization of materials properties by controlling the microstructure evolution.
PENELOPE, and algorithm and computer code for Monte Carlo simulation of electron-photon showers
Energy Technology Data Exchange (ETDEWEB)
Salvat, F.; Fernandez-Varea, J.M.; Baro, J.; Sempau, J.
1996-10-01
The FORTRAN 77 subroutine package PENELOPE performs Monte Carlo simulation of electron-photon showers in arbitrary for a wide energy range, from similar{sub t}o 1 KeV to several hundred MeV. Photon transport is simulated by means of the standard, detailed simulation scheme. Electron and positron histories are generated on the basis of a mixed procedure, which combines detailed simulation of hard events with condensed simulation of soft interactions. A simple geometry package permits the generation of random electron-photon showers in material systems consisting of homogeneous bodies limited by quadric surfaces, i.e. planes, spheres cylinders, etc. This report is intended not only to serve as a manual of the simulation package, but also to provide the user with the necessary information to understand the details of the Monte Carlo algorithm.
PENELOPE, an algorithm and computer code for Monte Carlo simulation of electron-photon showers
Energy Technology Data Exchange (ETDEWEB)
Salvat, F.; Fernandez-Varea, J.M.; Baro, J.; Sempau, J.
1996-07-01
The FORTRAN 77 subroutine package PENELOPE performs Monte Carlo simulation of electron-photon showers in arbitrary for a wide energy range, from 1 keV to several hundred MeV. Photon transport is simulated by means of the standard, detailed simulation scheme. Electron and positron histories are generated on the basis of a mixed procedure, which combines detailed simulation of hard events with condensed simulation of soft interactions. A simple geometry package permits the generation of random electron-photon showers in material systems consisting of homogeneous bodies limited by quadric surfaces, i.e. planes, spheres, cylinders, etc. This report is intended not only to serve as a manual of the simulation package, but also to provide the user with the necessary information to understand the details of the Monte Carlo algorithm. (Author) 108 refs.
Determination of IRT-2M fuel burnup by gamma spectrometry.
Koleška, Michal; Viererbl, Ladislav; Marek, Milan; Ernest, Jaroslav; Šunka, Michal; Vinš, Miroslav
2016-01-01
A spectrometric system was developed for evaluating spent fuel in the LVR-15 research reactor, which employs highly enriched (36%) IRT-2M-type fuel. Such system allows the measurement of detailed fission product profiles. Within these measurements, nuclides such as (137)Cs, (134)Cs, (144)Ce, (106)Ru and (154)Eu may be detected in fuel assemblies with different cooling times varying between 1.67 and 7.53 years. Burnup calculations using the MCNPX Monte Carlo code data showed good agreement with measurements, though some discrepancies were observed in certain regions. These discrepancies are attributed to the evaluation of irradiation history, reactor regulation pattern and buildup schemes.
Wang, Wenlong; Machta, Jonathan; Katzgraber, Helmut G.
2015-07-01
Population annealing is a Monte Carlo algorithm that marries features from simulated-annealing and parallel-tempering Monte Carlo. As such, it is ideal to overcome large energy barriers in the free-energy landscape while minimizing a Hamiltonian. Thus, population-annealing Monte Carlo can be used as a heuristic to solve combinatorial optimization problems. We illustrate the capabilities of population-annealing Monte Carlo by computing ground states of the three-dimensional Ising spin glass with Gaussian disorder, while comparing to simulated-annealing and parallel-tempering Monte Carlo. Our results suggest that population annealing Monte Carlo is significantly more efficient than simulated annealing but comparable to parallel-tempering Monte Carlo for finding spin-glass ground states.
Wang, Wenlong; Machta, Jonathan; Katzgraber, Helmut G
2015-07-01
Population annealing is a Monte Carlo algorithm that marries features from simulated-annealing and parallel-tempering Monte Carlo. As such, it is ideal to overcome large energy barriers in the free-energy landscape while minimizing a Hamiltonian. Thus, population-annealing Monte Carlo can be used as a heuristic to solve combinatorial optimization problems. We illustrate the capabilities of population-annealing Monte Carlo by computing ground states of the three-dimensional Ising spin glass with Gaussian disorder, while comparing to simulated-annealing and parallel-tempering Monte Carlo. Our results suggest that population annealing Monte Carlo is significantly more efficient than simulated annealing but comparable to parallel-tempering Monte Carlo for finding spin-glass ground states.
Monte Carlo simulation of the hysteresis phenomena on ferromagnetic nanotubes.
Salazar-Enríquez, C D; Restrepo, J; Restrepo-Parra, E
2012-06-01
In this work the hysteretic properties of single wall ferromagnetic nanotubes were studied. Hysteresis loops were computed on the basis of a classical Heisenberg model involving nearest neighbor interactions and using a Monte Carlo method implemented with a single spin movement Metropolis dynamics. Nanotubes with square and hexagonal unit cells were studied varying their diameter, temperature and magneto-crystalline anisotropy. Effects of the diameter were found stronger in the square unit cell magnetic nanotubes (SMNTs) than in the hexagonal unit cell magnetic nanotubes (HMNTs). The ferromagnetic behavior was observed in SMNTs at higher temperature than in HMNTs. Moreover in both cases, SMNTs and HMNTs, the magneto-crystalline anisotropy in the longitudinal direction showed a linear correspondence with the coercive field.
An Efficient Approach to Ab Initio Monte Carlo Simulation
Leiding, Jeff
2013-01-01
We present a Nested Markov Chain Monte Carlo (NMC) scheme for building equilibrium averages based on accurate potentials such as density functional theory. Metropolis sampling of a reference system, defined by an inexpensive but approximate potential, is used to substantially decorrelate configurations at which the potential of interest is evaluated, thereby dramatically reducing the number needed to build ensemble averages at a given level of precision. The efficiency of this procedure is maximized on-the-fly through variation of the reference system thermodynamic state (characterized here by its inverse temperature \\beta^0), which is otherwise unconstrained. Local density approximation (LDA) results are presented for shocked states in argon at pressures from 4 to 60 GPa. Depending on the quality of the reference potential, the acceptance probability is enhanced by factors of 1.2-28 relative to unoptimized NMC sampling, and the procedure's efficiency is found to be competitive with that of standard ab initio...
Random number generators tested on quantum Monte Carlo simulations.
Hongo, Kenta; Maezono, Ryo; Miura, Kenichi
2010-08-01
We have tested and compared several (pseudo) random number generators (RNGs) applied to a practical application, ground state energy calculations of molecules using variational and diffusion Monte Carlo metheds. A new multiple recursive generator with 8th-order recursion (MRG8) and the Mersenne twister generator (MT19937) are tested and compared with the RANLUX generator with five luxury levels (RANLUX-[0-4]). Both MRG8 and MT19937 are proven to give the same total energy as that evaluated with RANLUX-4 (highest luxury level) within the statistical error bars with less computational cost to generate the sequence. We also tested the notorious implementation of linear congruential generator (LCG), RANDU, for comparison.
Dynamic Partitioning of GATE Monte-Carlo Simulations on EGEE
Camarasu-Pop, S; Benoit-Cattin, Hugues; Glatard, Tristan; Sarrut, David; Camarasu-Pop, Sorina
2010-01-01
The EGEE Grid offers the necessary infrastructure and resources for reducing the running time of particle tracking Monte-Carlo applications like GATE. However, efforts are required to achieve reliable and efficient execution and to provide execution frameworks to end-users. This paper presents results obtained with porting the GATE software on the EGEE Grid, our ultimate goal being to provide reliable, user-friendly and fast execution of GATE to radiation therapy researchers. To address these requirements, we propose a new parallelization scheme based on a dynamic partitioning and its implementation in two different frameworks using pilot jobs and workflows. Results show that pilot jobs bring strong improvement w.r.t. regular gLite submission, that the proposed dynamic partitioning algorithm further reduces execution time by a factor of two and that the genericity and user-friendliness offered by the workflow implementation do not introduce significant overhead.
CloudMC: a cloud computing application for Monte Carlo simulation.
Miras, H; Jiménez, R; Miras, C; Gomà, C
2013-04-21
This work presents CloudMC, a cloud computing application-developed in Windows Azure®, the platform of the Microsoft® cloud-for the parallelization of Monte Carlo simulations in a dynamic virtual cluster. CloudMC is a web application designed to be independent of the Monte Carlo code in which the simulations are based-the simulations just need to be of the form: input files → executable → output files. To study the performance of CloudMC in Windows Azure®, Monte Carlo simulations with penelope were performed on different instance (virtual machine) sizes, and for different number of instances. The instance size was found to have no effect on the simulation runtime. It was also found that the decrease in time with the number of instances followed Amdahl's law, with a slight deviation due to the increase in the fraction of non-parallelizable time with increasing number of instances. A simulation that would have required 30 h of CPU on a single instance was completed in 48.6 min when executed on 64 instances in parallel (speedup of 37 ×). Furthermore, the use of cloud computing for parallel computing offers some advantages over conventional clusters: high accessibility, scalability and pay per usage. Therefore, it is strongly believed that cloud computing will play an important role in making Monte Carlo dose calculation a reality in future clinical practice.
Monte carlo simulation of epitaxial growth of gainassb films
Morales, Jheison Alejandro; Ríos-Olaya, Manuel Eduardo; Tirado Mejia, Liliana
2014-01-01
Material engineering finds an important support on simulation methods. The study of semiconductors growth techniques through simulation allows the determination of the influence of some growth parameters on the film properties. Experimentally, the variations of these parameters are difficult due to the high experimental demands and expenses. In this work we present the numerical simulation of the epitaxial growth of GaInAsSb by three methods. Devices based on this semiconductor material are t...
Monte Carlo simulation of a two-field effective Hamiltonian of complete wetting
Flesia, S.
1997-04-01
Recent work on the complete wetting transition for three-dimensional systems with short-ranged forces has emphasized the role played by the coupling of order-parameter fluctuations near the wall and depinning interface. It has been proposed that an effective two-field Hamiltonian, which predicts a renormalisation of the wetting parameter, could explain the controversy between the RG analysis of the capillary-wave model and Monte Carlo simulations on the Ising model. In this letter results of extensive Monte Carlo simulations of the two-field model are presented. The results are in agreement with prediction of a renormalized wetting parameter ω.
Directory of Open Access Journals (Sweden)
Yun Hsing Cheung
2012-12-01
Full Text Available The three main Value at Risk (VaR methodologies are historical, parametric and Monte Carlo Simulation.Cheung & Powell (2012, using a step-by-step teaching study, showed how a nonparametric historical VaRmodel could be constructed using Excel, thus benefitting teachers and researchers by providing them with areadily useable teaching study and an inexpensive and flexible VaR modelling option. This article extends thatwork by demonstrating how parametric and Monte Carlo Simulation VaR models can also be constructed inExcel, thus providing a total Excel modelling package encompassing all three VaR methods.
Yoshizumi, Maíra T; Yoriyaz, Hélio; Caldas, Linda V E
2010-01-01
Backscattered radiation (BSR) from field-defining collimators can affect the response of a monitor chamber in X-radiation fields. This contribution must be considered since this kind of chamber is used to monitor the equipment response. In this work, the dependence of a transmission ionization chamber response on the aperture diameter of the collimators was studied experimentally and using a Monte Carlo (MC) technique. According to the results, the BSR increases the chamber response of over 4.0% in the case of a totally closed collimator and 50 kV energy beam, using both techniques. The results from Monte Carlo simulation confirm the validity of the simulated geometry.
Efficiency calibration of an extended-range Ge detector by a detailed Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Peyres, V. [Metrologia de Radiaciones Ionizantes, CIEMAT, Avda. Complutense 22, Madrid 28040 (Spain)], E-mail: Virginia.peyres@ciemat.es; Garcia-Torano, E. [Metrologia de Radiaciones Ionizantes, CIEMAT, Avda. Complutense 22, Madrid 28040 (Spain)
2007-09-21
A Monte Carlo simulation has been employed for calibrating an extended-range Ge detector in an energy range from 14 to 1800 keV. A set of sources from monoenergetic and multi-gamma emitters point were measured at 15 cm from the detector window and provided 26 experimental values to which the results of the simulations are compared. Discrepancies between simulated and experimental values are within 1 standard deviation, and relative differences are, in most cases, below 1%.
MONTE CARLO METHOD AND APPLICATION IN @RISK SIMULATION SYSTEM
Directory of Open Access Journals (Sweden)
Gabriela Ižaríková
2015-12-01
Full Text Available The article is an example of using the software simulation @Risk designed for simulation in Microsoft Excel spread sheet, demonstrated the possibility of its usage in order to show a universal method of solving problems. The simulation is experimenting with computer models based on the real production process in order to optimize the production processes or the system. The simulation model allows performing a number of experiments, analysing them, evaluating, optimizing and afterwards applying the results to the real system. A simulation model in general is presenting modelling system by using mathematical formulations and logical relations. In the model is possible to distinguish controlled inputs (for instance investment costs and random outputs (for instance demand, which are by using a model transformed into outputs (for instance mean value of profit. In case of a simulation experiment at the beginning are chosen controlled inputs and random (stochastic outputs are generated randomly. Simulations belong into quantitative tools, which can be used as a support for a decision making.
Monte Carlo simulation of photon migration in a cloud computing environment with MapReduce.
Pratx, Guillem; Xing, Lei
2011-12-01
Monte Carlo simulation is considered the most reliable method for modeling photon migration in heterogeneous media. However, its widespread use is hindered by the high computational cost. The purpose of this work is to report on our implementation of a simple MapReduce method for performing fault-tolerant Monte Carlo computations in a massively-parallel cloud computing environment. We ported the MC321 Monte Carlo package to Hadoop, an open-source MapReduce framework. In this implementation, Map tasks compute photon histories in parallel while a Reduce task scores photon absorption. The distributed implementation was evaluated on a commercial compute cloud. The simulation time was found to be linearly dependent on the number of photons and inversely proportional to the number of nodes. For a cluster size of 240 nodes, the simulation of 100 billion photon histories took 22 min, a 1258 × speed-up compared to the single-threaded Monte Carlo program. The overall computational throughput was 85,178 photon histories per node per second, with a latency of 100 s. The distributed simulation produced the same output as the original implementation and was resilient to hardware failure: the correctness of the simulation was unaffected by the shutdown of 50% of the nodes.
Estimation of background spectrum in a shielded HPGe detector using Monte Carlo simulations.
Medhat, M E; Wang, Yifang
2014-02-01
Monte Carlo simulations are powerful tools used to estimate the background γ-radiation detected by high-resolution gamma-ray spectrometry systems with a HPGe (high purity germanium) detector contained inside a lead shield. The purpose of this work was to examine the applicability of Monte Carlo simulations to predict the optimal lead thickness necessary to reduce the background effect in spectrometer measurements. GEANT4 code was applied to simulate the background radiation spectrum at different thicknesses of lead. The simulated results were compared with experimental measurements of background radiation taken at the same shielding thickness. The results show that the background radiation detected depends on the thickness, size and lining of the shield. Simulation showed that 12 cm lead thick is the optimal shielding thickness.
Souris, Kevin; Lee, John Aldo; Sterpin, Edmond
2016-04-01
Accuracy in proton therapy treatment planning can be improved using Monte Carlo (MC) simulations. However the long computation time of such methods hinders their use in clinical routine. This work aims to develop a fast multipurpose Monte Carlo simulation tool for proton therapy using massively parallel central processing unit (CPU) architectures. A new Monte Carlo, called MCsquare (many-core Monte Carlo), has been designed and optimized for the last generation of Intel Xeon processors and Intel Xeon Phi coprocessors. These massively parallel architectures offer the flexibility and the computational power suitable to MC methods. The class-II condensed history algorithm of MCsquare provides a fast and yet accurate method of simulating heavy charged particles such as protons, deuterons, and alphas inside voxelized geometries. Hard ionizations, with energy losses above a user-specified threshold, are simulated individually while soft events are regrouped in a multiple scattering theory. Elastic and inelastic nuclear interactions are sampled from ICRU 63 differential cross sections, thereby allowing for the computation of prompt gamma emission profiles. MCsquare has been benchmarked with the gate/geant4 Monte Carlo application for homogeneous and heterogeneous geometries. Comparisons with gate/geant4 for various geometries show deviations within 2%-1 mm. In spite of the limited memory bandwidth of the coprocessor simulation time is below 25 s for 10(7) primary 200 MeV protons in average soft tissues using all Xeon Phi and CPU resources embedded in a single desktop unit. MCsquare exploits the flexibility of CPU architectures to provide a multipurpose MC simulation tool. Optimized code enables the use of accurate MC calculation within a reasonable computation time, adequate for clinical practice. MCsquare also simulates prompt gamma emission and can thus be used also for in vivo range verification.
Fission-gas release at extended burnups: effect of two-dimensional heat transfer
Energy Technology Data Exchange (ETDEWEB)
Tayal, M. [Atomic Energy of Canada Limited, Mississauga, Ontario (Canada); Yu, S.D. [Ryerson Polytechnic Univ., Toronto, Ontario (Canada); Lau, J.H.K
2000-09-01
To better simulate the performance of high-burnup CANDU fuel, a two-dimensional model for heat transfer between the pellet and the sheath has been added to the computer code ELESTRES. The model covers four relative orientations of the pellet and the sheath and their impacts on heat transfer and fission-gas release. The predictions of the code were compared to a database of 27 experimental irradiations involving extended burnups and normal burnups. The calculated values of fission gas release matched the measurements to an average of 94%. Thus, the two-dimensional heat transfer model increases the versatility of the ELESTRES code to better simulate fuels at normal as well as at extended burnups. (author)
A Monte Carlo simulation model for stationary non-Gaussian processes
DEFF Research Database (Denmark)
Grigoriu, M.; Ditlevsen, Ove Dalager; Arwade, S. R.
2003-01-01
includes translation processes and is useful for both Monte Carlo simulation and analytical studies. As for translation processes, the mixture of translation processes can have a wide range of marginal distributions and correlation functions. Moreover, these processes can match a broader range of second...... athe proposed Monte Carlo algorithm and compare features of translation processes and mixture of translation processes. Keywords: Monte Carlo simulation, non-Gaussian processes, sampling theorem, stochastic processes, translation processes......A class of stationary non-Gaussian processes, referred to as the class of mixtures of translation processes, is defined by their finite dimensional distributions consisting of mixtures of finite dimensional distributions of translation processes. The class of mixtures of translation processes...
Monte Carlo simulation of the LENA detector system
Energy Technology Data Exchange (ETDEWEB)
Howard, C., E-mail: choward@unc.edu [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States); Iliadis, C.; Champagne, A.E. [Department of Physics and Astronomy, University of North Carolina, Chapel Hill, NC 27599-3255 (United States); Triangle Universities Nuclear Laboratory, Durham, NC 27708-0308 (United States)
2013-11-21
Many nuclear astrophysics experiments use the singles energy spectrum to measure nuclear cross-sections. It has been shown in previous publications that the use of a high purity germanium (HPGe) detector and a NaI(Tl) annulus in coincidence can lower the background, allowing the measurement of smaller cross-sections. In our previous work, our simulation was only capable of determining both full-energy peak relative efficiencies. Here, we present work which extends our simulation so that we can predict absolute efficiencies, and both coincidence gate efficiencies. We first show that the full-energy peak and the total energy singles efficiency of our HPGe detector simulation agrees well with calibration data. We then present the full-energy peak and total energy efficiency for the NaI(Tl) annulus. Results are presented for our coincidence efficiencies, using three examples. These examples are a comparison to the decay of the 151 keV resonance in the {sup 18}O(p, γ){sup 19}F reaction, a {sup 22}Na point-like calibration source, and {sup 26}Al nuclei distributed in a meteorite fragment. In each case, we present a comparison of data to the simulation and show that, within our uncertainties, we can accurately simulate our measured intensities. -- Highlights: •We create a simulation of our HPGe detector and NaI annulus. •We compare our model to various calibration sources. •We compare energy gating using the simulation. •The simulation predict efficiencies as observed in the data.
Lattice Boltzmann accelerated direct simulation Monte Carlo for dilute gas flow simulations.
Di Staso, G; Clercx, H J H; Succi, S; Toschi, F
2016-11-13
Hybrid particle-continuum computational frameworks permit the simulation of gas flows by locally adjusting the resolution to the degree of non-equilibrium displayed by the flow in different regions of space and time. In this work, we present a new scheme that couples the direct simulation Monte Carlo (DSMC) with the lattice Boltzmann (LB) method in the limit of isothermal flows. The former handles strong non-equilibrium effects, as they typically occur in the vicinity of solid boundaries, whereas the latter is in charge of the bulk flow, where non-equilibrium can be dealt with perturbatively, i.e. according to Navier-Stokes hydrodynamics. The proposed concurrent multiscale method is applied to the dilute gas Couette flow, showing major computational gains when compared with the full DSMC scenarios. In addition, it is shown that the coupling with LB in the bulk flow can speed up the DSMC treatment of the Knudsen layer with respect to the full DSMC case. In other words, LB acts as a DSMC accelerator.This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).
Lattice Boltzmann accelerated direct simulation Monte Carlo for dilute gas flow simulations
Di Staso, G.; Clercx, H. J. H.; Succi, S.; Toschi, F.
2016-11-01
Hybrid particle-continuum computational frameworks permit the simulation of gas flows by locally adjusting the resolution to the degree of non-equilibrium displayed by the flow in different regions of space and time. In this work, we present a new scheme that couples the direct simulation Monte Carlo (DSMC) with the lattice Boltzmann (LB) method in the limit of isothermal flows. The former handles strong non-equilibrium effects, as they typically occur in the vicinity of solid boundaries, whereas the latter is in charge of the bulk flow, where non-equilibrium can be dealt with perturbatively, i.e. according to Navier-Stokes hydrodynamics. The proposed concurrent multiscale method is applied to the dilute gas Couette flow, showing major computational gains when compared with the full DSMC scenarios. In addition, it is shown that the coupling with LB in the bulk flow can speed up the DSMC treatment of the Knudsen layer with respect to the full DSMC case. In other words, LB acts as a DSMC accelerator. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.
Improvements in Monte Carlo Simulation of Large Electron Fields
Energy Technology Data Exchange (ETDEWEB)
Faddegon, Bruce A.; /UC, San Francisco; Perl, Joseph; Asai, Makoto; /SLAC
2007-11-28
Two Monte Carlo systems, EGSnrc and Geant4, were used to calculate dose distributions in large electron fields used in radiotherapy. Source and geometry parameters were adjusted to match calculated results with measurement. Both codes were capable of accurately reproducing the measured dose distributions of the 6 electron beams available on the accelerator. Depth penetration was matched to 0.1 cm. Depth dose curves generally agreed to 2% in the build-up region, although there is an additional 2-3% experimental uncertainty in this region. Dose profiles matched to 2% at the depth of maximum dose in the central region of the beam, out to the point of the profile where the dose begins to fall rapidly. A 3%/3mm match was obtained outside the central region except for the 6 MeV beam, where dose differences reached 5%. The discrepancy observed in the bremsstrahlung tail in published results that used EGS4 is no longer evident. The different systems required different source energies, incident beam angles, thicknesses of the exit window and primary foils, and distance between the primary and secondary foil. These results underscore the requirement for an experimental benchmark of electron scatter for beam energies and foils relevant to radiotherapy.
An efficient approach to ab initio Monte Carlo simulation.
Leiding, Jeff; Coe, Joshua D
2014-01-21
We present a Nested Markov chain Monte Carlo (NMC) scheme for building equilibrium averages based on accurate potentials such as density functional theory. Metropolis sampling of a reference system, defined by an inexpensive but approximate potential, was used to substantially decorrelate configurations at which the potential of interest was evaluated, thereby dramatically reducing the number needed to build ensemble averages at a given level of precision. The efficiency of this procedure was maximized on-the-fly through variation of the reference system thermodynamic state (characterized here by its inverse temperature β(0)), which was otherwise unconstrained. Local density approximation results are presented for shocked states of argon at pressures from 4 to 60 GPa, where-depending on the quality of the reference system potential-acceptance probabilities were enhanced by factors of 1.2-28 relative to unoptimized NMC. The optimization procedure compensated strongly for reference potential shortcomings, as evidenced by significantly higher speedups when using a reference potential of lower quality. The efficiency of optimized NMC is shown to be competitive with that of standard ab initio molecular dynamics in the canonical ensemble.
Decision Assistance in Risk Assessment – Monte Carlo Simulations
Directory of Open Access Journals (Sweden)
Emil BURTESCU
2012-01-01
Full Text Available High security must be a primary and permanent concern of the leadership of an organization and it must be ensured at any time. For this, a risk analysis is compulsory and imperative to be done during the risk management cycle. Security risk analysis and security risk management components mostly use estimative data during the whole extensive process. The further evolution of the events might not be reflected in the obtained results. If we were to think about the fact that hazard must be modeled, this concern is absolutely normal. Though, we must find a way to model the events that a company is exposed to, events that damage the informational security. In the following lines of this paper we will use the Monte-Carlo method in order to model a set of security parameters that are used in security risk analysis. The frequency of unwanted events, damages and their impact will represent our main focus and will be applied to both the quantitative and qualitative security risk analysis approach. The obtained results will act as a guide for experts to better allocation of resources for decreasing or eliminating the risk and will also represent a warning for the leadership about certain absolutely necessary investments.
Zhang, P; Wang, H Y; Li, Y G; Mao, S F; Ding, Z J
2012-01-01
Monte Carlo simulation methods for the study of electron beam interaction with solids have been mostly concerned with specimens of simple geometry. In this article, we propose a simulation algorithm for treating arbitrary complex structures in a real sample. The method is based on a finite element triangular mesh modeling of sample geometry and a space subdivision for accelerating simulation. Simulation of secondary electron image in scanning electron microscopy has been performed for gold particles on a carbon substrate. Comparison of the simulation result with an experiment image confirms that this method is effective to model complex morphology of a real sample.
Energy Technology Data Exchange (ETDEWEB)
Garcia, Claudio; Costa, Artur; Bittencourt, Euclides [TRANSPETRO - PETROBRAS Transporte, Rio de Janeiro, RJ (Brazil)
2005-07-01
Due to the growing relevance of safety and environmental protection policies in PETROBRAS and its subsidiaries, as well as official regulatory agencies and population requirements, integrity management of oil and gas pipelines became a priority activity in TRANSPETRO, involving several sectors of the company's Support Management Department. Inspection activities using intelligent PIGs, field correlations and replacement of pipeline segments are known as high cost operations and request complex logistics. Thus, it is imperative the adoption of management tools that optimize the available resources. This study presents Monte Carlo simulation method as an additional tool for evaluation and management of pipeline structural integrity. The method consists in foreseeing future physical conditions of most significant defects found in intelligent PIG In Line Inspections based on a probabilistic approach. Through Monte Carlo simulation, probability functions of failure for each defect are produced, helping managers to decide which repairs should be executed in order to reach the desired or accepted risk level. The case that illustrates this study refers to the reconditioning of ORSOL 14'' (35,56 mm) pipeline. This pipeline was constructed to transfer petroleum from Urucu's production fields to Solimoes port, in Coari, city in Brazilian Amazon Region. The result of this analysis indicated critical points for repair, in addition to the results obtained by the conventional evaluation (deterministic ASME B-31G method). Due to the difficulties to mobilize staff and execute necessary repairs in remote areas like Amazon forest, the probabilistic tool was extremely useful, improving pipeline integrity level and avoiding future additional costs. (author)
Fuel burnup analysis for Thai research reactor by using MCNPX computer code
Sangkaew, S.; Angwongtrakool, T.; Srimok, B.
2017-06-01
This paper presents the fuel burnup analysis of the Thai research reactor (TRR-1/M1), TRIGA Mark-III, operated by Thailand Institute of Nuclear Technology (TINT) in Bangkok, Thailand. The modelling software used in this analysis is MCNPX (MCNP eXtended) version 2.6.0, a Fortran90 Monte Carlo radiation transport computer code. The analysis results will cover the core excess reactivity, neutron fluxes at the irradiation positions and neutron detector tubes, power distribution, fuel burnup, and fission products based on fuel cycle of first reactor core arrangement.
Modeling of hysteresis loops by Monte Carlo simulation
Directory of Open Access Journals (Sweden)
Z. Nehme
2015-12-01
Full Text Available Recent advances in MC simulations of magnetic properties are rather devoted to non-interacting systems or ultrafast phenomena, while the modeling of quasi-static hysteresis loops of an assembly of spins with strong internal exchange interactions remains limited to specific cases. In the case of any assembly of magnetic moments, we propose MC simulations on the basis of a three dimensional classical Heisenberg model applied to an isolated magnetic slab involving first nearest neighbors exchange interactions and uniaxial anisotropy. Three different algorithms were successively implemented in order to simulate hysteresis loops: the classical free algorithm, the cone algorithm and a mixed one consisting of adding some global rotations. We focus particularly our study on the impact of varying the anisotropic constant parameter on the coercive field for different temperatures and algorithms. A study of the angular acceptation move distribution allows the dynamics of our simulations to be characterized. The results reveal that the coercive field is linearly related to the anisotropy providing that the algorithm and the numeric conditions are carefully chosen. In a general tendency, it is found that the efficiency of the simulation can be greatly enhanced by using the mixed algorithm that mimic the physics of collective behavior. Consequently, this study lead as to better quantified coercive fields measurements resulting from physical phenomena of complex magnetic (nanoarchitectures with different anisotropy contributions.
Modeling of hysteresis loops by Monte Carlo simulation
Nehme, Z.; Labaye, Y.; Sayed Hassan, R.; Yaacoub, N.; Greneche, J. M.
2015-12-01
Recent advances in MC simulations of magnetic properties are rather devoted to non-interacting systems or ultrafast phenomena, while the modeling of quasi-static hysteresis loops of an assembly of spins with strong internal exchange interactions remains limited to specific cases. In the case of any assembly of magnetic moments, we propose MC simulations on the basis of a three dimensional classical Heisenberg model applied to an isolated magnetic slab involving first nearest neighbors exchange interactions and uniaxial anisotropy. Three different algorithms were successively implemented in order to simulate hysteresis loops: the classical free algorithm, the cone algorithm and a mixed one consisting of adding some global rotations. We focus particularly our study on the impact of varying the anisotropic constant parameter on the coercive field for different temperatures and algorithms. A study of the angular acceptation move distribution allows the dynamics of our simulations to be characterized. The results reveal that the coercive field is linearly related to the anisotropy providing that the algorithm and the numeric conditions are carefully chosen. In a general tendency, it is found that the efficiency of the simulation can be greatly enhanced by using the mixed algorithm that mimic the physics of collective behavior. Consequently, this study lead as to better quantified coercive fields measurements resulting from physical phenomena of complex magnetic (nano)architectures with different anisotropy contributions.
OREST - The hammer-origen burnup program system
Energy Technology Data Exchange (ETDEWEB)
Hesse, U. (Gesellschaft fur Reaktorsicherheit mbH Forschungsgelande, 8046 Garching bei Munchen (DE))
1988-08-01
Reliable prediction of the characteristics of irradiated light water reactor fuels (e.g., afterheat power, neutron and gamma radiation sources, final uranium and plutonium contents) is needed for many aspects of the nuclear fuel cycle. Two main problems must be solved: the simulation of all isotopic nuclear reactions and the simulation of neutron fluxes setting the reactions in motion. In state-of-the-art computer techniques, a combination of specialized codes for lattice cell and burnup calculations is preferred to solve these cross-linked problems in time or burnup step approximation. In the program system OREST, developed for official and commercial tasks in the Federal Republic of Germany nuclear fuel cycle, the well-known codes HAMMER and ORIGEN and directly coupled with a fuel rod temperature module.
Exploring uncertainty in glacier mass balance modelling with Monte Carlo simulation
Machguth, H.; Purves, R.S.; Oerlemans, J.; Hoelzle, M.; Paul, F.
2008-01-01
By means of Monte Carlo simulations we calculated uncertainty in modelled cumulative mass balance over 400 days at one particular point on the tongue of Morteratsch Glacier, Switzerland, using a glacier energy balance model of intermediate complexity. Before uncertainty assessment, the model was tun
High-pressure high-temperature equation of state of graphite from Monte Carlo simulations
Colonna, F.; Fasolino, A.; Meijer, E.J.
2011-01-01
The thermoelastic behavior of graphite is experimentally accessible in a limited range of pressures and temperatures. Here we perform Monte Carlo simulations based on the accurate long range carbon bond-order potential (LCBOPII) in order to study graphite in a wider range of thermodynamic
Vrugt, J.A.; Braak, ter C.J.F.; Clark, M.P.; Hyman, J.M.; Robinson, B.A.
2008-01-01
There is increasing consensus in the hydrologic literature that an appropriate framework for streamflow forecasting and simulation should include explicit recognition of forcing and parameter and model structural error. This paper presents a novel Markov chain Monte Carlo (MCMC) sampler, entitled
The hard ellipsoid-of-revolution fluid. I. Monte Carlo simulations - Comment
Frenkel, D; Mulder, BM
2002-01-01
We present the results of Monte Carlo simulations on a system of hard ellipsoids of revolution with length-to-breadth ratios a/b = 3, 2.75, 2, 1.25 and b/a = 3, 2.75, 2, 1.25. We identify four distinct phases, viz. isotropic fluid, nematic fluid, ordered solid and plastic solid. The coexistence poin
The hard ellipsoid-of-revolution fluid I. Monte Carlo simulations
Frenkel, D.; Mulder, B.M.
1985-01-01
We present the results of Monte Carlo simulations on a system of hard ellipsoids of revolution with length-to-breadth ratios a/b = 3, 2·75, 2, 1·25 and b/a = 3, 2·75, 2, 1·25. We identify four distinct phases, viz. isotropic fluid, nematic fluid, ordered solid and plastic solid. The coexistence poin
Diffusion and exchange of adsorbed polymers studied by Monte Carlo simulations
Klein Wolterink, J.; Barkema, G.T.; Cohen Stuart, M.A.
2005-01-01
Monte Carlo simulations are performed of adsorbed polymers with various polymer lengths N and adsorption energies ¿s. Exchange times and the rates of lateral diffusion (along the surface) are investigated as a function of N and ¿s. Lateral diffusion is found to be a combination of reptation (diffusi
Lattice gas models and kinetic Monte Carlo simulations of epitaxial growth
Biehl, Michael; Voigt, A
2005-01-01
A brief introduction is given to Kinetic Monte Carlo (KMC) simulations of epitaxial crystal growth. Molecular Beam Epitaxy (MBE) serves as the prototype example for growth far from equilibrium. However, many of the aspects discussed here would carry over to other techniques as well. A variety of app
Vrugt, J.A.; Braak, ter C.J.F.; Clark, M.P.; Hyman, J.M.; Robinson, B.A.
2008-01-01
There is increasing consensus in the hydrologic literature that an appropriate framework for streamflow forecasting and simulation should include explicit recognition of forcing and parameter and model structural error. This paper presents a novel Markov chain Monte Carlo (MCMC) sampler, entitled di
Confronting uncertainty in model-based geostatistics using Markov Chain Monte Carlo simulation
Minasny, B.; Vrugt, J.A.; McBratney, A.B.
2011-01-01
This paper demonstrates for the first time the use of Markov Chain Monte Carlo (MCMC) simulation for parameter inference in model-based soil geostatistics. We implemented the recently developed DiffeRential Evolution Adaptive Metropolis (DREAM) algorithm to jointly summarize the posterior distributi
Lee, Anthony; Yau, Christopher; Giles, Michael B; Doucet, Arnaud; Holmes, Christopher C
2010-12-01
We present a case-study on the utility of graphics cards to perform massively parallel simulation of advanced Monte Carlo methods. Graphics cards, containing multiple Graphics Processing Units (GPUs), are self-contained parallel computational devices that can be housed in conventional desktop and laptop computers and can be thought of as prototypes of the next generation of many-core processors. For certain classes of population-based Monte Carlo algorithms they offer massively parallel simulation, with the added advantage over conventional distributed multi-core processors that they are cheap, easily accessible, easy to maintain, easy to code, dedicated local devices with low power consumption. On a canonical set of stochastic simulation examples including population-based Markov chain Monte Carlo methods and Sequential Monte Carlo methods, we nd speedups from 35 to 500 fold over conventional single-threaded computer code. Our findings suggest that GPUs have the potential to facilitate the growth of statistical modelling into complex data rich domains through the availability of cheap and accessible many-core computation. We believe the speedup we observe should motivate wider use of parallelizable simulation methods and greater methodological attention to their design.
Huh, J; Angerman, H.J; ten Brinke, G.
1996-01-01
Symmetric diblock copolymer blends A(f)B(1-f)/A(1-f)B(f) (0 less than or equal to f less than or equal to 0.5) are theoretically discussed in terms of a multiorder parameter approach and numerically investigated by Monte Carlo simulations. Theoretically, our main result is that below f congruent to
McStas 1.1: A tool for building neutron Monte Carlo simulations
DEFF Research Database (Denmark)
Lefmann, K.; Nielsen, K.; Tennant, D.A.
2000-01-01
McStas is a project to develop general tools for the creation of simulations of neutron scattering experiments. In this paper, we briefly introduce McStas and describe a particular application of the program: the Monte Carlo calculation of the resolution function of a standard triple-axis neutron...
Monte Carlo Simulation for Moderator of Compact D-T Neutron Generator
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
In order to study the neutron moderation of D-T neutron generator, moderators with diffident materials and structures are predicted by Monte Carlo simulations. Neutron generator is simplified as the diameter 20 cm, length 25 cm cylinder. The target is very
Monte Carlo Simulation of Dosimetric Parameters for HYBRID PdI Source in Brachytherapy
Institute of Scientific and Technical Information of China (English)
无
2011-01-01
A novel brachytherapy source model, ADVANTAGE HYBRID PdI, has been designed by CIAE For treatment of cancer. In this project, the purpose of this study is to obtain the dosimetric parameters of HYBRID PdI source. The Monte Carlo simulation
Steen Magnussen
2009-01-01
Areas burned annually in 29 Canadian forest fire regions show a patchy and irregular correlation structure that significantly influences the distribution of annual totals for Canada and for groups of regions. A binary Monte Carlo Markov Chain (MCMC) is constructed for the purpose of joint simulation of regional areas burned in forest fires. For each year the MCMC...
Monte Carlo simulations of in-plane stacking disorder in hard-sphere crystals
Miedema, P.S.; de Villeneuve, V.W.A.; Petukhov, A.V.
2008-01-01
On-lattice Monte Carlo simulations of colloidal random-stacking hard-sphere colloidal crystals are presented. The model yields close-packed crystals with random-stacking hexagonal structure. We find a significant amount of in-plane stacking disorder, which slowly anneals in the course of the simulat
Testing the Intervention Effect in Single-Case Experiments: A Monte Carlo Simulation Study
Heyvaert, Mieke; Moeyaert, Mariola; Verkempynck, Paul; Van den Noortgate, Wim; Vervloet, Marlies; Ugille, Maaike; Onghena, Patrick
2017-01-01
This article reports on a Monte Carlo simulation study, evaluating two approaches for testing the intervention effect in replicated randomized AB designs: two-level hierarchical linear modeling (HLM) and using the additive method to combine randomization test "p" values (RTcombiP). Four factors were manipulated: mean intervention effect,…
Exploring uncertainty in glacier mass balance modelling with Monte Carlo simulation
Machguth, H.; Purves, R.S.; Oerlemans, J.; Hoelzle, M.; Paul, F.
2008-01-01
By means of Monte Carlo simulations we calculated uncertainty in modelled cumulative mass balance over 400 days at one particular point on the tongue of Morteratsch Glacier, Switzerland, using a glacier energy balance model of intermediate complexity. Before uncertainty assessment, the model was tun
On the Assessment of Monte Carlo Error in Simulation-Based Statistical Analyses.
Koehler, Elizabeth; Brown, Elizabeth; Haneuse, Sebastien J-P A
2009-05-01
Statistical experiments, more commonly referred to as Monte Carlo or simulation studies, are used to study the behavior of statistical methods and measures under controlled situations. Whereas recent computing and methodological advances have permitted increased efficiency in the simulation process, known as variance reduction, such experiments remain limited by their finite nature and hence are subject to uncertainty; when a simulation is run more than once, different results are obtained. However, virtually no emphasis has been placed on reporting the uncertainty, referred to here as Monte Carlo error, associated with simulation results in the published literature, or on justifying the number of replications used. These deserve broader consideration. Here we present a series of simple and practical methods for estimating Monte Carlo error as well as determining the number of replications required to achieve a desired level of accuracy. The issues and methods are demonstrated with two simple examples, one evaluating operating characteristics of the maximum likelihood estimator for the parameters in logistic regression and the other in the context of using the bootstrap to obtain 95% confidence intervals. The results suggest that in many settings, Monte Carlo error may be more substantial than traditionally thought.
Quantum Monte Carlo Methods for First Principles Simulation of Liquid Water
Gergely, John Robert
2009-01-01
Obtaining an accurate microscopic description of water structure and dynamics is of great interest to molecular biology researchers and in the physics and quantum chemistry simulation communities. This dissertation describes efforts to apply quantum Monte Carlo methods to this problem with the goal of making progress toward a fully "ab initio"…
McStas 1.1: a tool for building neutron Monte Carlo simulations
Lefmann, K.; Nielsen, K.; Tennant, A.; Lake, B.
2000-03-01
McStas is a project to develop general tools for the creation of simulations of neutron scattering experiments. In this paper, we briefly introduce McStas and describe a particular application of the program: the Monte Carlo calculation of the resolution function of a standard triple-axis neutron scattering instrument. The method compares well with the analytical calculations of Popovici.
Monte Carlo simulation - a powerful tool to support experimental activities in structure reliability
Energy Technology Data Exchange (ETDEWEB)
Yuritzinn, T. [CEA Saclay, Dept. de Mecanique et de Technologie (DRN/DMT/SEMT/LISN), 91 - Gif-sur-Yvette (France); Chapuliot, S. [CEA Saclay, Dept. Modelisation de Systemes et Structures (DM2S/SEMT), 91 - Gif sur Yvette (France); Eid, M. [CEA Saclay, Dept. de Mecanique et de Technologie (DRN/DMT/SERMA/LCA), 91 - Gif-sur-Yvette (France); Masson, R.; Dahl, A.; Moinereau, D. [Electricite de France (EDF), 75 - Paris (France)
2003-07-01
Monte-Carlo Simulation (MCS) can have different uses in supporting structure reliability investigations and assessments. In this paper we focus our interest on the use of MCS as a numerical tool to support the fitting of the experimental data related to toughness experiments. (authors)
LASER-DOPPLER VELOCIMETRY AND MONTE-CARLO SIMULATIONS ON MODELS FOR BLOOD PERFUSION IN TISSUE
DEMUL, FFM; KOELINK, MH; KOK, ML; HARMSMA, PJ; GREVE, J; GRAAFF, R; AARNOUDSE, JG
1995-01-01
Laser Doppler flow measurements and Monte Carlo simulations on small blood perfusion flow models at 780 nm are presented and compared. The dimensions of the optical sample volume are investigated as functions of the distance of the laser to the detector and as functions of the angle of penetration o
Monte Carlo simulation of SU(2) Yang-Mills theory with light gluinos
Campos, I; Kirchner, R; Luckmann, S; Montvay, István; Münster, G; Spanderen, K; Westphalen, J
1999-01-01
In a numerical Monte Carlo simulation of SU(2) Yang-Mills theory with light dynamical gluinos the low energy features of the dynamics as confinement and bound state mass spectrum are investigated. The motivation is supersymmetry at vanishing gluino mass. The performance of the applied two-step multi-bosonic dynamical fermion algorithm is discussed.
Monte Carlo simulation of SU(2) Yang-Mills theory with light gluinos
Energy Technology Data Exchange (ETDEWEB)
Campos, I.; Kirchner, R.; Montvay, I. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Feo, A.; Luckmann, S.; Muenster, G.; Spanderen, K. [Muenster Univ. (Germany). Inst. fuer Theoretische Physik 1
1999-12-01
In a numerical Monte Carlo simulation of SU(2) Yang-Mills theory with light dynamical gluinos the low energy features of the dynamics as confinement and bound state mass spectrum are investigated. The motivation is supersymmetry at vanishing gluino mass. The performance of the applied two-step multi-bosonic dynamical fermion algorithm is discussed. (orig.)
Quantum Monte Carlo simulation of a dissipative chain of Josephson junctions
Energy Technology Data Exchange (ETDEWEB)
Bobbert, P.A. (Delft Univ. of Tech. (Netherlands))
1991-02-01
The phase diagram of a chain of Josephson junctions with self-capacitance and Ohmic dissipation is studied in a Monte Carlo simulation. The problem is mapped onto a generalized 2d Coulomb gas model. Apart from the expected dipole transition a theoretically predicted quadrupole transition at a critical strength of the dissipation is clearly observed. (orig.).
Decker, K. M.; Jayewardena, C.; Rehmann, R.
We describe the library lgtlib, and lgttool, the corresponding development environment for Monte Carlo simulations of lattice gauge theory on multiprocessor vector computers with shared memory. We explain why distributed memory parallel processor (DMPP) architectures are particularly appealing for compute-intensive scientific applications, and introduce the design of a general application and program development environment system for scientific applications on DMPP architectures.
Lattice gas models and kinetic Monte Carlo simulations of epitaxial growth
Biehl, Michael; Voigt, A
2005-01-01
A brief introduction is given to Kinetic Monte Carlo (KMC) simulations of epitaxial crystal growth. Molecular Beam Epitaxy (MBE) serves as the prototype example for growth far from equilibrium. However, many of the aspects discussed here would carry over to other techniques as well. A variety of app
Hydrogen analysis depth calibration by CORTEO Monte-Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Moser, M., E-mail: marcus.moser@unibw.de [Universität der Bundeswehr München, Institut für Angewandte Physik und Messtechnik LRT2, Fakultät für Luft- und Raumfahrttechnik, 85577 Neubiberg (Germany); Reichart, P.; Bergmaier, A.; Greubel, C. [Universität der Bundeswehr München, Institut für Angewandte Physik und Messtechnik LRT2, Fakultät für Luft- und Raumfahrttechnik, 85577 Neubiberg (Germany); Schiettekatte, F. [Université de Montréal, Département de Physique, Montréal, QC H3C 3J7 (Canada); Dollinger, G., E-mail: guenther.dollinger@unibw.de [Universität der Bundeswehr München, Institut für Angewandte Physik und Messtechnik LRT2, Fakultät für Luft- und Raumfahrttechnik, 85577 Neubiberg (Germany)
2016-03-15
Hydrogen imaging with sub-μm lateral resolution and sub-ppm sensitivity has become possible with coincident proton–proton (pp) scattering analysis (Reichart et al., 2004). Depth information is evaluated from the energy sum signal with respect to energy loss of both protons on their path through the sample. In first order, there is no angular dependence due to elastic scattering. In second order, a path length effect due to different energy loss on the paths of the protons causes an angular dependence of the energy sum. Therefore, the energy sum signal has to be de-convoluted depending on the matrix composition, i.e. mainly the atomic number Z, in order to get a depth calibrated hydrogen profile. Although the path effect can be calculated analytically in first order, multiple scattering effects lead to significant deviations in the depth profile. Hence, in our new approach, we use the CORTEO Monte-Carlo code (Schiettekatte, 2008) in order to calculate the depth of a coincidence event depending on the scattering angle. The code takes individual detector geometry into account. In this paper we show, that the code correctly reproduces measured pp-scattering energy spectra with roughness effects considered. With more than 100 μm thick Mylar-sandwich targets (Si, Fe, Ge) we demonstrate the deconvolution of the energy spectra on our current multistrip detector at the microprobe SNAKE at the Munich tandem accelerator lab. As a result, hydrogen profiles can be evaluated with an accuracy in depth of about 1% of the sample thickness.
Institute of Scientific and Technical Information of China (English)
罗正鸿; 詹晓力; 等
2003-01-01
Monte Carlo method is applied to investigate the kinetics of ammonia oxidative decomposition over the commercial propylene ammoxidation catalyst(Mo-Bi).The simulation is quite in agreement with experimetal results.Monte Carlo simulation proves that the process of ammonia oxidation decomposition is a two-step reaction.
Directory of Open Access Journals (Sweden)
Jingang Liang
2016-06-01
Full Text Available Because of prohibitive data storage requirements in large-scale simulations, the memory problem is an obstacle for Monte Carlo (MC codes in accomplishing pin-wise three-dimensional (3D full-core calculations, particularly for whole-core depletion analyses. Various kinds of data are evaluated and quantificational total memory requirements are analyzed based on the Reactor Monte Carlo (RMC code, showing that tally data, material data, and isotope densities in depletion are three major parts of memory storage. The domain decomposition method is investigated as a means of saving memory, by dividing spatial geometry into domains that are simulated separately by parallel processors. For the validity of particle tracking during transport simulations, particles need to be communicated between domains. In consideration of efficiency, an asynchronous particle communication algorithm is designed and implemented. Furthermore, we couple the domain decomposition method with MC burnup process, under a strategy of utilizing consistent domain partition in both transport and depletion modules. A numerical test of 3D full-core burnup calculations is carried out, indicating that the RMC code, with the domain decomposition method, is capable of pin-wise full-core burnup calculations with millions of depletion regions.
Numerical simulations of blast-impact problems using the direct simulation Monte Carlo method
Sharma, Anupam
There is an increasing need to design protective structures that can withstand or mitigate the impulsive loading due to the impact of a blast or a shock wave. A preliminary step in designing such structures is the prediction of the pressure loading on the structure. This is called the "load definition." This thesis is focused on a numerical approach to predict the load definition on arbitrary geometries for a given strength of the incident blast/shock wave. A particle approach, namely the Direct Simulation Monte Carlo (DSMC) method, is used as the numerical model. A three-dimensional, time-accurate DSMC flow solver is developed as a part of this study. Embedded surfaces, modeled as triangulations, are used to represent arbitrary-shaped structures. Several techniques to improve the computational efficiency of the algorithm of particle-structure interaction are presented. The code is designed using the Object Oriented Programming (OOP) paradigm. Domain decomposition with message passing is used to solve large problems in parallel. The solver is extensively validated against analytical results and against experiments. Two kinds of geometries, a box and an I-shaped beam are investigated for blast impact. These simulations are performed in both two- and three-dimensions. A major portion of the thesis is dedicated to studying the uncoupled fluid dynamics problem where the structure is assumed to remain stationary and intact during the simulation. A coupled, fluid-structure dynamics problem is solved in one spatial dimension using a simple, spring-mass-damper system to model the dynamics of the structure. A parametric study, by varying the mass, spring constant, and the damping coefficient, to study their effect on the loading and the displacement of the structure is also performed. Finally, the parallel performance of the solver is reported for three sample-size problems on two Beowulf clusters.
Energy Technology Data Exchange (ETDEWEB)
Bolch, W.E.; Turner, J.E.; Yoshida, H.; Jacobson, K.B.; Hamm, R.N.; Wright, H.A.; Ritchie, R.H.; Klots, C.E.
1988-07-01
A Monte Carlo computer code is developed for simulating the radiolysis of glycylglycine in both oxygenated and deoxygenated aqueous solution. Second, this model is used to calculate the yields of various products in solutions irradiated either by 250-kVp X-rays or by /sup 60/Co gamma rays. Third, calculated product yields are compared to measured yields where available. The Monte Carlo computer codes used in this study are modified and extended versions of three existing simulation codes, written at the Oak Ridge National Laboratory (ORNL), which simulate irradiations of pure liquid water. The ORNL codes calculate the formation, diffusion, and reaction of free radicals and other species along charged-particle tracks in liquid water. As part of this research, these codes are extended to simulate irradiation of pure oxygenated water, oxygenated glycylglycine solutions, and deoxygenated glycylglycine solutions. 80 refs., 38 figs., 8 tabs.
Directory of Open Access Journals (Sweden)
He Deyu
2016-09-01
Full Text Available Assessing the risks of steering system faults in underwater vehicles is a human-machine-environment (HME systematic safety field that studies faults in the steering system itself, the driver’s human reliability (HR and various environmental conditions. This paper proposed a fault risk assessment method for an underwater vehicle steering system based on virtual prototyping and Monte Carlo simulation. A virtual steering system prototype was established and validated to rectify a lack of historic fault data. Fault injection and simulation were conducted to acquire fault simulation data. A Monte Carlo simulation was adopted that integrated randomness due to the human operator and environment. Randomness and uncertainty of the human, machine and environment were integrated in the method to obtain a probabilistic risk indicator. To verify the proposed method, a case of stuck rudder fault (SRF risk assessment was studied. This method may provide a novel solution for fault risk assessment of a vehicle or other general HME system.
National Research Council Canada - National Science Library
Zimmermann, Leonard W; Amoush, Ahmad; Wilkinson, Douglas A
2015-01-01
... for an Eye Physics model EP917 eye plaque. Monte Carlo (MC) simulation using MCNPX 2.7 was used to calculate the central axis dose in water for an EP917 eye plaque fully loaded with 17 IsoAid Advantage (125)I seeds...
National Research Council Canada - National Science Library
Zimmermann, Leonard W; Amoush, Ahmad; Wilkinson, Douglas A
2015-01-01
... for an Eye Physics model EP917 eye plaque. Monte Carlo (MC) simulation using MCNPX 2.7 was used to calculate the central axis dose in water for an EP917 eye plaque fully loaded with 17 IsoAid Advantage 125 I seeds...
Deasy, Joseph O; Wickerhauser, M Victor; Picard, Mathieu
2002-10-01
The Monte Carlo dose calculation method works by simulating individual energetic photons or electrons as they traverse a digital representation of the patient anatomy. However, Monte Carlo results fluctuate until a large number of particles are simulated. We propose wavelet threshold de-noising as a postprocessing step to accelerate convergence of Monte Carlo dose calculations. A sampled rough function (such as Monte Carlo noise) gives wavelet transform coefficients which are more nearly equal in amplitude than those of a sampled smooth function. Wavelet hard-threshold de-noising sets to zero those wavelet coefficients which fall below a threshold; the image is then reconstructed. We implemented the computationally efficient 9,7-biorthogonal filters in the C language. Transform results were averaged over transform origin selections to reduce artifacts. A method for selecting best threshold values is described. The algorithm requires about 336 floating point arithmetic operations per dose grid point. We applied wavelet threshold de-noising to two two-dimensional dose distributions: a dose distribution generated by 10 MeV electrons incident on a water phantom with a step-heterogeneity, and a slice from a lung heterogeneity phantom. Dose distributions were simulated using the Integrated Tiger Series Monte Carlo code. We studied threshold selection, resulting dose image smoothness, and resulting dose image accuracy as a function of the number of source particles. For both phantoms, with a suitable value of the threshold parameter, voxel-to-voxel noise was suppressed with little introduction of bias. The roughness of wavelet de-noised dose distributions (according to a Laplacian metric) was nearly independent of the number of source electrons, though the accuracy of the de-noised dose image improved with increasing numbers of source electrons. We conclude that wavelet shrinkage de-noising is a promising method for effectively accelerating Monte Carlo dose calculations
Monte-Carlo Simulation on the Failure of Fiber in a Single Filament Composite
Institute of Scientific and Technical Information of China (English)
邢孟秋; 严灏景
2001-01-01
A Monte-Carlo method is used to simulate gradual fracture of fiber in a single filament composite with the increase of virtual stress. A simple computational algorithm is developed to judge where breaking point will happen in the composite and a probability model based on Weibull- distribution is designed to calculate the average fragment length by producing stable and uniform random number in (0, 1). Compared to the published experiment results, the simulating average fragment length is quite perfect.
Colloidal nanoparticles trapped by liquid-crystal defect lines: A lattice Monte Carlo simulation
Jose, Regina; Skačej, Gregor; Sastry, V. S. S.; Žumer, Slobodan
2014-09-01
Lattice-based Monte Carlo simulations are performed to study a confined liquid crystal system with a topological disclination line entangling a colloidal nanoparticle. In our microscopic study the disclination line is stretched by moving the colloid, as in laser tweezing experiments, which results in a restoring force attempting to minimize the disclination length. From constant-force simulations we extract the corresponding disclination line tension, estimated as ˜50 pN, and observe its decrease with increasing temperature.
Simulations of a typical CMOS amplifier circuit using the Monte Carlo method
Borges, Jacques Cousteau da Silva
2016-01-01
In the present paper of Microelectronics, some simulations of a typical circuit of amplification, using a CMOS transistor, through the computational tools were performed. At that time, PSPICE® was used, where it was possible to observe the results, which are detailed in this work. The imperfections of the component due to manufacturing processes were obtained from simulations using the Monte Carlo method. The circuit operating point, mean and standard deviation were obtained and the influence...
A measurement-based generalized source model for Monte Carlo dose simulations of CT scans
Ming, Xin; Feng, Yuanming; Liu, Ransheng; Yang, Chengwen; Zhou, Li; Zhai, Hezheng; Deng, Jun
2017-03-01
The goal of this study is to develop a generalized source model for accurate Monte Carlo dose simulations of CT scans based solely on the measurement data without a priori knowledge of scanner specifications. The proposed generalized source model consists of an extended circular source located at x-ray target level with its energy spectrum, source distribution and fluence distribution derived from a set of measurement data conveniently available in the clinic. Specifically, the central axis percent depth dose (PDD) curves measured in water and the cone output factors measured in air were used to derive the energy spectrum and the source distribution respectively with a Levenberg–Marquardt algorithm. The in-air film measurement of fan-beam dose profiles at fixed gantry was back-projected to generate the fluence distribution of the source model. A benchmarked Monte Carlo user code was used to simulate the dose distributions in water with the developed source model as beam input. The feasibility and accuracy of the proposed source model was tested on a GE LightSpeed and a Philips Brilliance Big Bore multi-detector CT (MDCT) scanners available in our clinic. In general, the Monte Carlo simulations of the PDDs in water and dose profiles along lateral and longitudinal directions agreed with the measurements within 4%/1 mm for both CT scanners. The absolute dose comparison using two CTDI phantoms (16 cm and 32 cm in diameters) indicated a better than 5% agreement between the Monte Carlo-simulated and the ion chamber-measured doses at a variety of locations for the two scanners. Overall, this study demonstrated that a generalized source model can be constructed based only on a set of measurement data and used for accurate Monte Carlo dose simulations of patients’ CT scans, which would facilitate patient-specific CT organ dose estimation and cancer risk management in the diagnostic and therapeutic radiology.
van der Graaf, E. R.; Dendooven, P.; Brandenburg, S.
2014-01-01
A detector model optimization procedure based on matching Monte Carlo simulations with measurements for two experimentally calibrated sample geometries which are frequently used in radioactivity measurement laboratories results in relative agreement within 5% between simulated and measured efficienc
Energy Technology Data Exchange (ETDEWEB)
Yun, Hyung Ju; Kim, Do Yeon; Park, Kwang Heon; Hong, Ser Gi [Dept. of Nuclear Engineering, Kyung Hee University, Seoul (Korea, Republic of)
2016-06-15
Nuclear criticality safety analyses (NCSAs) considering burnup credit were performed for the GBC-32 cask. The used nuclear fuel assemblies (UNFAs) discharged from Hanbit Nuclear Power Plant Unit 3 Cycle 6 were loaded into the cask. Their axial burnup distributions and average discharge burnups were evaluated using the DeCART and Multi-purpose Analyzer for Static and Transient Effects of Reactors (MASTER) codes, and NCSAs were performed using SCALE 6.1/STandardized Analysis of Reactivity for Burnup Credit using SCALE (STARBUCS) and Monte Carlo N-Particle transport code, version 6 (MCNP 6). The axial burnup distributions were determined for 20 UNFAs with various initial enrichments and burnups, which were applied to the criticality analysis for the cask system. The UNFAs for 20- and 30-year cooling times were assumed to be stored in the cask. The criticality analyses indicated that keff values for UNFAs with nonuniform axial burnup distributions were larger than those with a uniform distribution, that is, the end effects were positive but much smaller than those with the reference distribution. The axial burnup distributions for 20 UNFAs had shapes that were more symmetrical with a less steep gradient in the upper region than the reference ones of the United States Department of Energy. These differences in the axial burnup distributions resulted in a significant reduction in end effects compared with the reference.
A unified Monte Carlo interpretation of particle simulations and applications to nonneutral plasmas
Energy Technology Data Exchange (ETDEWEB)
Aydemir, A.Y.
1993-09-01
Using a ``Monte Carlo interpretation`` a particle simulations, a general description of low-noise techniques is developed in terms well-known Monte Carlo variance reduction methods. Some of these techniques then are applied to linear and nonlinear studies of pure electron plasmas in cylindrical geometry, with emphasis on the generation and nonlinear evolution of electron vortices. Long-lived l = 1 and l and l = 2 vortices, and others produced by unstable diocotron modes in hollow profiles, are studies. It is shown that low-noise techniques make it possible to follow the linear evolution and saturation of even the very weakly unstable resonant diocotron modes.
A Monte Carlo simulation to study the effect of surface roughness on the performance of RPC
Energy Technology Data Exchange (ETDEWEB)
Ghosh, Tapasi, E-mail: tapasi03@gmail.com [Variable Energy Cyclotron Centre, 1/AF BidhanNagar, Kolkata 700 064 (India); Chattopadhyay, Subhasis [Variable Energy Cyclotron Centre, 1/AF BidhanNagar, Kolkata 700 064 (India)
2012-01-01
The electric field inside a Resistive Plate Chamber (RPC) is likely to be influenced by the non-uniform inner surfaces of the RPC electrodes. We have studied the effect of this field perturbation on the performance of the RPC by a Monte Carlo method, which simulates the generation of signal from the detector. For the present study, we have analyzed the effect of the field variation on the time resolution and efficiency of a 0.3 mm single-gap timing RPC. Finally the results obtained from the Monte Carlo study are compared with an analytical calculation.
Monte carlo simulation of a nucleon interacting with a neutral scalar boson field
Szybisz, L.; Zabolitzky, J. G.
1985-04-01
A recently proposed Monte Carlo algorithm to solve a Schrödinger equation expressed in Fock-space representation, suitable for the case of hamiltonians describing problems in one-dimensional discrete momentum space, is now extended to the one-, two- and three-dimensional continuous k-spaces. This extension is tested by employing it for an analytically solvable hamiltonian. For this purpose the 'static source' limit of the hamiltonian corresponding to the interaction between a nucleon and a neutral, scalar boson field is simulated. The results of the Monte Carlo procedure reproduce very well the exact solution.
Monte Carlo simulation of a nucleon interacting with a neutral scalar boson field
Energy Technology Data Exchange (ETDEWEB)
Szybisz, L.; Zabolitzky, J.G.
1985-04-15
A recently proposed Monte Carlo algorithm to solve a Schroedinger equation expressed in Fock-space representation, suitable for the case of hamiltonians describing problems in one-dimensional discrete momentum space, is now extended to the one-, two- and three-dimensional continuous k-spaces. This extension is tested by employing it for an analytically solvable hamiltonian. For this purpose the static source limit of the hamiltonian corresponding to the interaction between a nucleon and a neutral, scalar boson field is simulated. The results of the Monte Carlo procedure reproduce very well the exact solution.
Monte Carlo Simulation of EDXRF Spectrometer for Uranium Ores
Institute of Scientific and Technical Information of China (English)
ZHAO; Jiang-bin
2013-01-01
Energy dispersive X-ray fluorescence spectrometry(EDXRF)is an important nondestructive analytical technology,which can be used for elements recognition and measurement.Before the design of the EDXRF spectrometer,it’s necessary to perform MC simulation with MCNP code about the X-ray tube high voltage,thickness of Beryllium window,geometry of filter and collimator,as well as the geometric
A Bifurcation Monte Carlo Scheme for Rare Event Simulation
Liu, Hongliang
2016-01-01
The bifurcation method is a way to do rare event sampling -- to estimate the probability of events that are too rare to be found by direct simulation. We describe the bifurcation method and use it to estimate the transition rate of a double well potential problem. We show that the associated constrained path sampling problem can be addressed by a combination of Crooks-Chandler sampling and parallel tempering and marginalization.
Monte Carlo Molecular Simulation with Isobaric-Isothermal and Gibbs-NPT Ensembles
Du, Shouhong
2012-05-01
This thesis presents Monte Carlo methods for simulations of phase behaviors of Lennard-Jones fluids. The isobaric-isothermal (NPT) ensemble and Gibbs-NPT ensemble are introduced in detail. NPT ensemble is employed to determine the phase diagram of pure component. The reduced simulation results are verified by comparison with the equation of state by by Johnson et al. and results with L-J parameters of methane agree considerably with the experiment measurements. We adopt the blocking method for variance estimation and error analysis of the simulation results. The relationship between variance and number of Monte Carlo cycles, error propagation and Random Number Generator performance are also investigated. We review the Gibbs-NPT ensemble employed for phase equilibrium of binary mixture. The phase equilibrium is achieved by performing three types of trial move: particle displacement, volume rearrangement and particle transfer. The simulation models and the simulation details are introduced. The simulation results of phase coexistence for methane and ethane are reported with comparison of the experimental data. Good agreement is found for a wide range of pressures. The contribution of this thesis work lies in the study of the error analysis with respect to the Monte Carlo cycles and number of particles in some interesting aspects.
Massive Parallelism of Monte-Carlo Simulation on Low-End Hardware using Graphic Processing Units
Energy Technology Data Exchange (ETDEWEB)
Mburu, Joe Mwangi; Hah, Chang Joo Hah [KEPCO International Nuclear Graduate School, Ulsan (Korea, Republic of)
2014-05-15
Within the past decade, research has been done on utilizing GPU massive parallelization in core simulation with impressive results but unfortunately, not much commercial application has been done in the nuclear field especially in reactor core simulation. The purpose of this paper is to give an introductory concept on the topic and illustrate the potential of exploiting the massive parallel nature of GPU computing on a simple monte-carlo simulation with very minimal hardware specifications. To do a comparative analysis, a simple two dimension monte-carlo simulation is implemented for both the CPU and GPU in order to evaluate performance gain based on the computing devices. The heterogeneous platform utilized in this analysis is done on a slow notebook with only 1GHz processor. The end results are quite surprising whereby high speedups obtained are almost a factor of 10. In this work, we have utilized heterogeneous computing in a GPU-based approach in applying potential high arithmetic intensive calculation. By applying a complex monte-carlo simulation on GPU platform, we have speed up the computational process by almost a factor of 10 based on one million neutrons. This shows how easy, cheap and efficient it is in using GPU in accelerating scientific computing and the results should encourage in exploring further this avenue especially in nuclear reactor physics simulation where deterministic and stochastic calculations are quite favourable in parallelization.
Role of Boundary Conditions in Monte Carlo Simulation of MEMS Devices
Nance, Robert P.; Hash, David B.; Hassan, H. A.
1997-01-01
A study is made of the issues surrounding prediction of microchannel flows using the direct simulation Monte Carlo method. This investigation includes the introduction and use of new inflow and outflow boundary conditions suitable for subsonic flows. A series of test simulations for a moderate-size microchannel indicates that a high degree of grid under-resolution in the streamwise direction may be tolerated without loss of accuracy. In addition, the results demonstrate the importance of physically correct boundary conditions, as well as possibilities for reducing the time associated with the transient phase of a simulation. These results imply that simulations of longer ducts may be more feasible than previously envisioned.
Reliability Assessment of Active Distribution System Using Monte Carlo Simulation Method
Directory of Open Access Journals (Sweden)
Shaoyun Ge
2014-01-01
Full Text Available In this paper we have treated the reliability assessment problem of low and high DG penetration level of active distribution system using the Monte Carlo simulation method. The problem is formulated as a two-case program, the program of low penetration simulation and the program of high penetration simulation. The load shedding strategy and the simulation process were introduced in detail during each FMEA process. Results indicate that the integration of DG can improve the reliability of the system if the system was operated actively.
Monte Carlo simulation for kinetic chemotaxis model: An application to the traveling population wave
Yasuda, Shugo
2017-02-01
A Monte Carlo simulation of chemotactic bacteria is developed on the basis of the kinetic model and is applied to a one-dimensional traveling population wave in a microchannel. In this simulation, the Monte Carlo method, which calculates the run-and-tumble motions of bacteria, is coupled with a finite volume method to calculate the macroscopic transport of the chemical cues in the environment. The simulation method can successfully reproduce the traveling population wave of bacteria that was observed experimentally and reveal the microscopic dynamics of bacterium coupled with the macroscopic transports of the chemical cues and bacteria population density. The results obtained by the Monte Carlo method are also compared with the asymptotic solution derived from the kinetic chemotaxis equation in the continuum limit, where the Knudsen number, which is defined by the ratio of the mean free path of bacterium to the characteristic length of the system, vanishes. The validity of the Monte Carlo method in the asymptotic behaviors for small Knudsen numbers is numerically verified.
A virtual source method for Monte Carlo simulation of Gamma Knife Model C
Energy Technology Data Exchange (ETDEWEB)
Kim, Tae Hoon; Kim, Yong Kyun [Hanyang University, Seoul (Korea, Republic of); Chung, Hyun Tai [Seoul National University College of Medicine, Seoul (Korea, Republic of)
2016-05-15
The Monte Carlo simulation method has been used for dosimetry of radiation treatment. Monte Carlo simulation is the method that determines paths and dosimetry of particles using random number. Recently, owing to the ability of fast processing of the computers, it is possible to treat a patient more precisely. However, it is necessary to increase the simulation time to improve the efficiency of accuracy uncertainty. When generating the particles from the cobalt source in a simulation, there are many particles cut off. So it takes time to simulate more accurately. For the efficiency, we generated the virtual source that has the phase space distribution which acquired a single gamma knife channel. We performed the simulation using the virtual sources on the 201 channel and compared the measurement with the simulation using virtual sources and real sources. A virtual source file was generated to reduce the simulation time of a Gamma Knife Model C. Simulations with a virtual source executed about 50 times faster than the original source code and there was no statistically significant difference in simulated results.
PhyloSim - Monte Carlo simulation of sequence evolution in the R statistical computing environment
Directory of Open Access Journals (Sweden)
Massingham Tim
2011-04-01
Full Text Available Abstract Background The Monte Carlo simulation of sequence evolution is routinely used to assess the performance of phylogenetic inference methods and sequence alignment algorithms. Progress in the field of molecular evolution fuels the need for more realistic and hence more complex simulations, adapted to particular situations, yet current software makes unreasonable assumptions such as homogeneous substitution dynamics or a uniform distribution of indels across the simulated sequences. This calls for an extensible simulation framework written in a high-level functional language, offering new functionality and making it easy to incorporate further complexity. Results PhyloSim is an extensible framework for the Monte Carlo simulation of sequence evolution, written in R, using the Gillespie algorithm to integrate the actions of many concurrent processes such as substitutions, insertions and deletions. Uniquely among sequence simulation tools, PhyloSim can simulate arbitrarily complex patterns of rate variation and multiple indel processes, and allows for the incorporation of selective constraints on indel events. User-defined complex patterns of mutation and selection can be easily integrated into simulations, allowing PhyloSim to be adapted to specific needs. Conclusions Close integration with R and the wide range of features implemented offer unmatched flexibility, making it possible to simulate sequence evolution under a wide range of realistic settings. We believe that PhyloSim will be useful to future studies involving simulated alignments.
Monte Carlo Simulation of Magnetic System in the Tsallis Statistics
1999-01-01
We apply the Broad Histogram Method to an Ising system in the context of the recently reformulated Generalized Thermostatistics, and we claim it to be a very efficient simulation tool for this non-extensive statistics. Results are obtained for the nearest-neighbour version of the Ising model for a range of values of the $q$ parameter of Generalized Thermostatistics. We found an evidence that the 2D-Ising model does not undergo phase transitions at finite temperatures except for the extensive ...
MULTILEVEL MONTE CARLO (MLMC) SIMULATIONS: PERFORMANCE RESULTS FOR SPE10 (XY SLICES)
Energy Technology Data Exchange (ETDEWEB)
Kalchev, Delyan [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Vassilevski, Panayot S. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
2016-02-26
In this report we first describe a generic multilevel Monte Carlo method and then illustrate its superior performance over a traditional single-level Monte Carlo method for second order elliptic PDEs corresponding to two-dimensional layers in (x, y)-direction of the Tenth SPE Comparative Solution project (SPE 10) which gives high-contrast permeability coefficients. The SPE10 data set is used as a coarse level in the Monte Carlo method and the respective permeability coefficient k (provided in the SPE10 dataset) is used as a mean in the simulation. The actual coefficients are drawn based on a KL-expansion assuming that the log-mean is perturbed by a log-normal distributed samples.
Meaningful timescales from Monte Carlo simulations of particle systems with hard-core interactions
Costa, Liborio I.
2016-12-01
A new Markov Chain Monte Carlo method for simulating the dynamics of particle systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is associated with minima in the energy landscape, in the proposed method, the state of the system is associated with the set of paths traveled by the atoms and the transition probabilities for an atom to be displaced are proportional to the corresponding velocities. In this way, the number of possible state-to-state transitions is reduced to a discrete set, and a direct link between the Monte Carlo time step and true physical time is naturally established. The resulting rejection-free algorithm is validated against event-driven molecular dynamics: the equilibrium and non-equilibrium dynamics of hard disks converge to the exact results with decreasing displacement size.
Inclusion of Quantum Confinement Effects in Self-Consistent Monte Carlo Device Simulations
Directory of Open Access Journals (Sweden)
R. W. Kelsall
1998-01-01
Full Text Available The design of Monte Carlo FET simulations is discussed, with specific attention to the methods used to describe quantum confinement effects. A new model is presented, which employs self-consistent coupling of Schrodinger, Poisson and Monte Carlo algorithms, and explicit calculation of the scattering rates between confined and unconfined states. Comparisons between the new model and a standard semi-classical Monte Carlo model are presented for a 0.1 μm gate-length In0.52Al0.48As/In0.53 Ga0.47As/InP MODFET. Whilst the quantum model yields minor corrections in the predicted output characteristics, it is found that these results can be achieved without repeated iterations of the Schrodinger equation.
Synchrotron stereotactic radiotherapy: dosimetry by Fricke gel and Monte Carlo simulations.
Boudou, Caroline; Biston, Marie-Claude; Corde, Stéphanie; Adam, Jean-François; Ferrero, Claudio; Estève, François; Elleaume, Hélène
2004-11-21
Synchrotron stereotactic radiotherapy (SSR) consists in loading the tumour with a high atomic number element (Z), and exposing it to monochromatic x-rays from a synchrotron source (50-100 keV), in stereotactic conditions. The dose distribution results from both the stereotactic monochromatic x-ray irradiation and the presence of the high Z element. The purpose of this preliminary study was to evaluate the two-dimensional dose distribution resulting solely from the irradiation geometry, using Monte Carlo simulations and a Fricke gel dosimeter. The verification of a Monte Carlo-based dosimetry was first assessed by depth dose measurements in a water tank. We thereafter used a Fricke dosimeter to compare Monte Carlo simulations with dose measurements. The Fricke dosimeter is a solution containing ferrous ions which are oxidized to ferric ions under ionizing radiation, proportionally to the absorbed dose. A cylindrical phantom filled with Fricke gel was irradiated in stereotactic conditions over several slices with a continuous beam (beam section = 0.1 x 1 cm2). The phantom and calibration vessels were then imaged by nuclear magnetic resonance. The measured doses were fairly consistent with those predicted by Monte Carlo simulations. However, the measured maximum absolute dose was 10% underestimated regarding calculation. The loss of information in the higher region of dose is explained by the diffusion of ferric ions. Monte Carlo simulation is the most accurate tool for dosimetry including complex geometries made of heterogeneous materials. Although the technique requires improvements, gel dosimetry remains an essential tool for the experimental verification of dose distribution in SSR with millimetre precision.
Overcoming Critical Slowing Down in Quantum Monte Carlo Simulations
Evertz, Hans Gerd; Marcu, Mihai
The classical d+1-dimensional spin systems used for the simulation of quantum spin systems in d dimensions are, quite generally, vertex models. Standard simulation methods for such models strongly suffer from critical slowing down. Recently, we developed the loop algorithm, a new type of cluster algorithm that to a large extent overcomes critical slowing down for vertex models. We present the basic ideas on the example of the F model, a special case of the 6-vertex model. Numerical results clearly demonstrate the effectiveness of the loop algorithm. Then, using the framework for cluster algorithms developed by Kandel and Domany, we explain how to adapt our algorithm to the cases of the 6-vertex model and the 8-vertex model, which are relevant for spin 1/2 systems. The techniqes presented here can be applied without modification to 2-dimensional spin 1/2 systems, provided that in the Suzuki-Trotter formula the Hamiltonian is broken up into 4 sums of link terms. Generalizations to more complicated situations (higher spins, different uses of the Suzuki-Trotter formula) are, at least in principle, straightforward.
Gabrieli, Andrea; Demontis, Pierfranco; Pazzona, Federico G; Suffritti, Giuseppe B
2011-05-01
Understanding the behaviors of molecules in tight confinement is a challenging task. Standard simulation tools like kinetic Monte Carlo have proven to be very effective in the study of adsorption and diffusion phenomena in microporous materials, but they turn out to be very inefficient when simulation time and length scales are extended. In this paper we have explored the possibility of application of a discrete version of the synchronous parallel kinetic Monte Carlo algorithm introduced by Martínez et al. [J. Comput. Phys. 227, 3804 (2008)] to the study of aromatic hydrocarbons diffusion in zeolites. The efficiency of this algorithm is investigated as a function of the number of processors and domain size. We show that with an accurate choice of domains size it is possible to achieve very good efficiencies thus permitting us to effectively extend space and time scales of the simulated system. © 2011 American Physical Society
Comparison of Geant4-DNA simulation of S-values with other Monte Carlo codes
Energy Technology Data Exchange (ETDEWEB)
André, T. [Université Bordeaux 1, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Morini, F. [Research Group of Theoretical Chemistry and Molecular Modelling, Hasselt University, Agoralaan Gebouw D, B-3590 Diepenbeek (Belgium); Karamitros, M. [Université Bordeaux 1, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, INCIA, UMR 5287, F-33400 Talence (France); Delorme, R. [LPSC, Université Joseph Fourier Grenoble 1, CNRS/IN2P3, Grenoble INP, 38026 Grenoble (France); CEA, LIST, F-91191 Gif-sur-Yvette (France); Le Loirec, C. [CEA, LIST, F-91191 Gif-sur-Yvette (France); Campos, L. [Departamento de Física, Universidade Federal de Sergipe, São Cristóvão (Brazil); Champion, C. [Université Bordeaux 1, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Groetz, J.-E.; Fromm, M. [Université de Franche-Comté, Laboratoire Chrono-Environnement, UMR CNRS 6249, Besançon (France); Bordage, M.-C. [Laboratoire Plasmas et Conversion d’Énergie, UMR 5213 CNRS-INPT-UPS, Université Paul Sabatier, Toulouse (France); Perrot, Y. [Laboratoire de Physique Corpusculaire, UMR 6533, Aubière (France); Barberet, Ph. [Université Bordeaux 1, CENBG, UMR 5797, F-33170 Gradignan (France); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); and others
2014-01-15
Monte Carlo simulations of S-values have been carried out with the Geant4-DNA extension of the Geant4 toolkit. The S-values have been simulated for monoenergetic electrons with energies ranging from 0.1 keV up to 20 keV, in liquid water spheres (for four radii, chosen between 10 nm and 1 μm), and for electrons emitted by five isotopes of iodine (131, 132, 133, 134 and 135), in liquid water spheres of varying radius (from 15 μm up to 250 μm). The results have been compared to those obtained from other Monte Carlo codes and from other published data. The use of the Kolmogorov–Smirnov test has allowed confirming the statistical compatibility of all simulation results.
Yasuda, Shugo
2015-01-01
A Monte Carlo simulation for the chemotactic bacteria is developed on the basis of the kinetic modeling, i.e., the Boltzmann transport equation, and applied to the one-dimensional traveling population wave in a micro channel.In this method, the Monte Carlo method, which calculates the run-and-tumble motions of bacteria, is coupled with a finite volume method to solve the macroscopic transport of the chemical cues in the field. The simulation method can successfully reproduce the traveling population wave of bacteria which was observed experimentally. The microscopic dynamics of bacteria, e.g., the velocity autocorrelation function and velocity distribution function of bacteria, are also investigated. It is found that the bacteria which form the traveling population wave create quasi-periodic motions as well as a migratory movement along with the traveling population wave. Simulations are also performed with changing the sensitivity and modulation parameters in the response function of bacteria. It is found th...
Large-scale Monte Carlo simulations for the depinning transition in Ising-type lattice models
Si, Lisha; Liao, Xiaoyun; Zhou, Nengji
2016-12-01
With the developed "extended Monte Carlo" (EMC) algorithm, we have studied the depinning transition in Ising-type lattice models by extensive numerical simulations, taking the random-field Ising model with a driving field and the driven bond-diluted Ising model as examples. In comparison with the usual Monte Carlo method, the EMC algorithm exhibits greater efficiency of the simulations. Based on the short-time dynamic scaling form, both the transition field and critical exponents of the depinning transition are determined accurately via the large-scale simulations with the lattice size up to L = 8912, significantly refining the results in earlier literature. In the strong-disorder regime, a new universality class of the Ising-type lattice model is unveiled with the exponents β = 0.304(5) , ν = 1.32(3) , z = 1.12(1) , and ζ = 0.90(1) , quite different from that of the quenched Edwards-Wilkinson equation.
Numerical Study of Light Transport in Apple Models Based on Monte Carlo Simulations
Directory of Open Access Journals (Sweden)
Mohamed Lamine Askoura
2015-12-01
Full Text Available This paper reports on the quantification of light transport in apple models using Monte Carlo simulations. To this end, apple was modeled as a two-layer spherical model including skin and flesh bulk tissues. The optical properties of both tissue types used to generate Monte Carlo data were collected from the literature, and selected to cover a range of values related to three apple varieties. Two different imaging-tissue setups were simulated in order to show the role of the skin on steady-state backscattering images, spatially-resolved reflectance profiles, and assessment of flesh optical properties using an inverse nonlinear least squares fitting algorithm. Simulation results suggest that apple skin cannot be ignored when a Visible/Near-Infrared (Vis/NIR steady-state imaging setup is used for investigating quality attributes of apples. They also help to improve optical inspection techniques in the horticultural products.
MCViNE -- An object oriented Monte Carlo neutron ray tracing simulation package
Lin, Jiao Y Y; Granroth, Garrett E; Abernathy, Douglas L; Lumsden, Mark D; Winn, Barry; Aczel, Adam A; Aivazis, Michael; Fultz, Brent
2015-01-01
MCViNE (Monte-Carlo VIrtual Neutron Experiment) is a versatile Monte Carlo (MC) neutron ray-tracing program that provides researchers with tools for performing computer modeling and simulations that mirror real neutron scattering experiments. By adopting modern software engineering practices such as using composite and visitor design patterns for representing and accessing neutron scatterers, and using recursive algorithms for multiple scattering, MCViNE is flexible enough to handle sophisticated neutron scattering problems including, for example, neutron detection by complex detector systems, and single and multiple scattering events in a variety of samples and sample environments. In addition, MCViNE can take advantage of simulation components in linear-chain-based MC ray tracing packages widely used in instrument design and optimization, as well as NumPy-based components that make prototypes useful and easy to develop. These developments have enabled us to carry out detailed simulations of neutron scatteri...
Vexler, Albert; Kim, Young Min; Yu, Jihnhee; Lazar, Nicole A; Hutson, Aland
2014-12-01
Various exact tests for statistical inference are available for powerful and accurate decision rules provided that corresponding critical values are tabulated or evaluated via Monte Carlo methods. This article introduces a novel hybrid method for computing p-values of exact tests by combining Monte Carlo simulations and statistical tables generated a priori. To use the data from Monte Carlo generations and tabulated critical values jointly, we employ kernel density estimation within Bayesian-type procedures. The p-values are linked to the posterior means of quantiles. In this framework, we present relevant information from the Monte Carlo experiments via likelihood-type functions, whereas tabulated critical values are used to reflect prior distributions. The local maximum likelihood technique is employed to compute functional forms of prior distributions from statistical tables. Empirical likelihood functions are proposed to replace parametric likelihood functions within the structure of the posterior mean calculations to provide a Bayesian-type procedure with a distribution-free set of assumptions. We derive the asymptotic properties of the proposed nonparametric posterior means of quantiles process. Using the theoretical propositions, we calculate the minimum number of needed Monte Carlo resamples for desired level of accuracy on the basis of distances between actual data characteristics (e.g. sample sizes) and characteristics of data used to present corresponding critical values in a table. The proposed approach makes practical applications of exact tests simple and rapid. Implementations of the proposed technique are easily carried out via the recently developed STATA and R statistical packages.
Monte Carlo simulations of precise timekeeping in the Milstar communication satellite system
Camparo, James C.; Frueholz, R. P.
1995-01-01
The Milstar communications satellite system will provide secure antijam communication capabilities for DOD operations into the next century. In order to accomplish this task, the Milstar system will employ precise timekeeping on its satellites and at its ground control stations. The constellation will consist of four satellites in geosynchronous orbit, each carrying a set of four rubidium (Rb) atomic clocks. Several times a day, during normal operation, the Mission Control Element (MCE) will collect timing information from the constellation, and after several days use this information to update the time and frequency of the satellite clocks. The MCE will maintain precise time with a cesium (Cs) atomic clock, synchronized to UTC(USNO) via a GPS receiver. We have developed a Monte Carlo simulation of Milstar's space segment timekeeping. The simulation includes the effects of: uplink/downlink time transfer noise; satellite crosslink time transfer noise; satellite diurnal temperature variations; satellite and ground station atomic clock noise; and also quantization limits regarding satellite time and frequency corrections. The Monte Carlo simulation capability has proven to be an invaluable tool in assessing the performance characteristics of various timekeeping algorithms proposed for Milstar, and also in highlighting the timekeeping capabilities of the system. Here, we provide a brief overview of the basic Milstar timekeeping architecture as it is presently envisioned. We then describe the Monte Carlo simulation of space segment timekeeping, and provide examples of the simulation's efficacy in resolving timekeeping issues.
Naglič, Peter; Pernuš, Franjo; Likar, Boštjan; Bürmen, Miran
2017-01-01
Analytical expressions for sampling the scattering angle from a phase function in Monte Carlo simulations of light propagation are available only for a limited number of phase functions. Consequently, numerical sampling methods based on tabulated values are often required instead. By using Monte Carlo simulated reflectance, we compare two existing and propose an improved numerical sampling method and show that both the number of the tabulated values and the numerical sampling method significantly influence the accuracy of the simulated reflectance. The provided results and guidelines should serve as a good starting point for conducting computationally efficient Monte Carlo simulations with numerical phase function sampling. PMID:28663872
Dynamic Monte Carlo simulation for reactive sputtering of aluminium
Energy Technology Data Exchange (ETDEWEB)
Chen, Z.Y. E-mail: chen@uia.ua.ac.be; Bogaerts, A.; Depla, D.; Ignatova, V
2003-08-01
We have applied TRIDYN to simulate the transition from the metallic sputtering to the reactive sputtering mode during magnetron sputtering for an Al target when oxygen is added to argon plasma. Changes in the thickness and composition of multicomponent targets are investigated. The results basically confirm the reactive ion implantation mechanism together with chemical reaction in the subsurface. When oxygen mole fraction x<0.14, the target surface never becomes fully oxidized, even for very long sputtering times. When x>0.14 the target surface can be more or less fully oxidized. Furthermore, an abrupt change in the surface erosion rate at x=0.03 is observed. This corresponds to the avalanche phenomenon indicating the sputtering mode transition.
Energy Technology Data Exchange (ETDEWEB)
Thiam, Ch.O
2007-10-15
Accurate radiotherapy treatment requires the delivery of a precise dose to the tumour volume and a good knowledge of the dose deposit to the neighbouring zones. Computation of the treatments is usually carried out by a Treatment Planning System (T.P.S.) which needs to be precise and fast. The G.A.T.E. platform for Monte-Carlo simulation based on G.E.A.N.T.4 is an emerging tool for nuclear medicine application that provides functionalities for fast and reliable dosimetric calculations. In this thesis, we studied in parallel a validation of the G.A.T.E. platform for the modelling of electrons and photons low energy sources and the optimized use of grid infrastructures to reduce simulations computing time. G.A.T.E. was validated for the dose calculation of point kernels for mono-energetic electrons and compared with the results of other Monte-Carlo studies. A detailed study was made on the energy deposit during electrons transport in G.E.A.N.T.4. In order to validate G.A.T.E. for very low energy photons (<35 keV), three models of radioactive sources used in brachytherapy and containing iodine 125 (2301 of Best Medical International; Symmetra of Uro- Med/Bebig and 6711 of Amersham) were simulated. Our results were analyzed according to the recommendations of task group No43 of American Association of Physicists in Medicine (A.A.P.M.). They show a good agreement between G.A.T.E., the reference studies and A.A.P.M. recommended values. The use of Monte-Carlo simulations for a better definition of the dose deposited in the tumour volumes requires long computing time. In order to reduce it, we exploited E.G.E.E. grid infrastructure where simulations are distributed using innovative technologies taking into account the grid status. Time necessary for the computing of a radiotherapy planning simulation using electrons was reduced by a factor 30. A Web platform based on G.E.N.I.U.S. portal was developed to make easily available all the methods to submit and manage G
A high burnup model developed for the DIONISIO code
Energy Technology Data Exchange (ETDEWEB)
Soba, A. [U.A. Combustibles Nucleares, Comisión Nacional de Energía Atómica, Avenida del Libertador 8250, 1429 Buenos Aires (Argentina); Denis, A., E-mail: denis@cnea.gov.ar [U.A. Combustibles Nucleares, Comisión Nacional de Energía Atómica, Avenida del Libertador 8250, 1429 Buenos Aires (Argentina); Romero, L. [U.A. Reactores Nucleares, Comisión Nacional de Energía Atómica, Avenida del Libertador 8250, 1429 Buenos Aires (Argentina); Villarino, E.; Sardella, F. [Departamento Ingeniería Nuclear, INVAP SE, Comandante Luis Piedra Buena 4950, 8430 San Carlos de Bariloche, Río Negro (Argentina)
2013-02-15
A group of subroutines, designed to extend the application range of the fuel performance code DIONISIO to high burn up, has recently been included in the code. The new calculation tools, which are tuned for UO{sub 2} fuels in LWR conditions, predict the radial distribution of power density, burnup, and concentration of diverse nuclides within the pellet. The balance equations of all the isotopes involved in the fission process are solved in a simplified manner, and the one-group effective cross sections of all of them are obtained as functions of the radial position in the pellet, burnup, and enrichment in {sup 235}U. In this work, the subroutines are described and the results of the simulations performed with DIONISIO are presented. The good agreement with the data provided in the FUMEX II/III NEA data bank can be easily recognized.
A high burnup model developed for the DIONISIO code
Soba, A.; Denis, A.; Romero, L.; Villarino, E.; Sardella, F.
2013-02-01
A group of subroutines, designed to extend the application range of the fuel performance code DIONISIO to high burn up, has recently been included in the code. The new calculation tools, which are tuned for UO2 fuels in LWR conditions, predict the radial distribution of power density, burnup, and concentration of diverse nuclides within the pellet. The balance equations of all the isotopes involved in the fission process are solved in a simplified manner, and the one-group effective cross sections of all of them are obtained as functions of the radial position in the pellet, burnup, and enrichment in 235U. In this work, the subroutines are described and the results of the simulations performed with DIONISIO are presented. The good agreement with the data provided in the FUMEX II/III NEA data bank can be easily recognized.
Fuel burnup calculation of a research reactor plate element
Energy Technology Data Exchange (ETDEWEB)
Santos, Nadia Rodrigues dos; Lima, Zelmo Rodrigues de; Moreira, Maria de Lourdes, E-mail: nadiasam@gmail.com, E-mail: zrlima@ien.gov.br, E-mail: malu@ien.gov.br [Instituto de Engenharia Nuclear (IEN/CNEN-RJ), Rio de Janeiro, RJ (Brazil)
2013-07-01
This work consists in simulating the burnup of two different plate type fuel elements, where one is the benchmark MTR of the IAEA, which is made of an alloy of uranium and aluminum, while the other belonging to a typical multipurpose reactor is composed of an alloy of uranium and silicon. The simulation is performed using the WIMSD-5B computer code, which makes use of deterministic methods for solving neutron transport. In developing this task, fuel element equivalent cells were calculated representing each of the reactors to obtain the initial concentrations of each isotope constituent element of the fuel cell and the thicknesses corresponding to each region of the cell, since this information is part of the input data. The compared values of the k∞ showed a similar behavior for the case of the MTR calculated with the WIMSD-5B and EPRI-CELL codes. Relating the graphs of the concentrations in the burnup of both reactors, there are aspects very similar to each isotope selected. The application WIMSD-5B code to calculate isotopic concentrations and burnup of the fuel element, proved to be satisfactory for the fulfillment of the objective of this work. (author)
Energy Technology Data Exchange (ETDEWEB)
Gonzalez, Jorge A. Carrazana; Ferrera, Eduardo A. Capote; Gomez, Isis M. Fernandez; Castro, Gloria V. Rodriguez; Ricardo, Niury Martinez, E-mail: cphr@cphr.edu.cu [Centro de Proteccion e Higiene de las Radiaciones (CPHR), La Habana (Cuba)
2013-07-01
This work shows how is established the traceability of the analytical determinations using this calibration method. Highlights the advantages offered by Monte Carlo simulation for the application of corrections by differences in chemical composition, density and height of the samples analyzed. Likewise, the results obtained by the LVRA in two exercises organized by the International Agency for Atomic Energy (IAEA) are presented. In these exercises (an intercomparison and a proficiency test) all reported analytical results were obtained based on calibrations in efficiency by Monte Carlo simulation using the DETEFF program.
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles
Energy Technology Data Exchange (ETDEWEB)
McGrath, M; Siepmann, J I; Kuo, I W; Mundy, C J; Vandevondele, J; Sprik, M; Hutter, J; Mohamed, F; Krack, M; Parrinello, M
2004-10-20
Efficient Monte Carlo algorithms are combined with the Quickstep energy routines of CP2K to develop a program that allows for Monte Carlo simulations in the canonical, isobaric-isothermal, and Gibbs ensembles using a first principles description of the physical system. Configurational-bias Monte Carlo techniques and pre-biasing using an inexpensive approximate potential are employed to increase the sampling efficiency and to reduce the frequency of expensive ab initio energy evaluations. The new Monte Carlo program has been validated through extensive comparison with molecular dynamics simulations using the programs CPMD and CP2K. Preliminary results for the vapor-liquid coexistence properties (T = 473 K) of water using the Becke-Lee-Yang-Parr exchange and correlation energy functionals, a triple-zeta valence basis set augmented with two sets of d-type or p-type polarization functions, and Goedecker-Teter-Hutter pseudopotentials are presented. The preliminary results indicate that this description of water leads to an underestimation of the saturated liquid density and heat of vaporization and, correspondingly, an overestimation of the saturated vapor pressure.
Impact of Weather Conditions on the Construction of the Terminal - Monte Carlo Simulation
Directory of Open Access Journals (Sweden)
Tatjana Stanivuk
2013-03-01
Full Text Available A simulation model is developed for the potential planned Patagonia and Tierra del Fuego terminals. The purpose is to identify reliability and availability of loading operations at the terminal. The harsh weather conditions, technical reliability and concurrent traffic affect LNG (Liquefied Natural Gas Carriers during approaching or loading. Probabilistic simulation method is created and Monte Carlo simulations are carried out for several cases, with varied production, number of jetties and terminal storage. The results indicate high importance of weather restrictions and are used to present a recommendation with two loading jetties and a larger volume of storage capacity.
A Monte Carlo simulation of the packing and segregation of spheres in cylinders
Directory of Open Access Journals (Sweden)
C. R. A. ABREU
1999-12-01
Full Text Available In this work, the Monte Carlo method (MC was extended to simulate the packing and segregation of particles subjected to a gravitational field and confined inside rigid walls. The method was used in systems containing spheres inside cylinders. The calculation of void fraction profiles in both the axial and radial directions was formulated, and some results are presented. In agreement with experimental data, the simulations show that the packed beds present structural ordering near the cylindrical walls up to a distance of about 4 particle diameters. The simulations also indicate that the presence of the cylindrical wall does not seem to have a strong effect on the gravitational segregation phenomenon.
Prediction of beam hardening artefacts in computed tomography using Monte Carlo simulations
DEFF Research Database (Denmark)
Thomsen, M.; Bergbäck Knudsen, Erik; Willendrup, Peter Kjær
2015-01-01
We show how radiological images of both single and multi material samples can be simulated using the Monte Carlo simulation tool McXtrace and how these images can be used to make a three dimensional reconstruction. Good numerical agreement between the X-ray attenuation coefficient in experimental......, illustrated with an example. Linearisation requires knowledge about the X-ray transmission at varying sample thickness, but in some cases homogeneous calibration phantoms are hard to manufacture, which affects the accuracy of the calibration. Using simulated data overcomes the manufacturing problems...
Monte Carlo Simulation on Coordinated Movement of Kinesin and Dynein Motors
Institute of Scientific and Technical Information of China (English)
WANG Hong; DOU Shuo-Xing; WANG Peng-Ye
2008-01-01
Kinesin and dynein are two important classes of molecular motors which are responsible for active organelle trafficking and cell division.They call work together to carry a cargo,moving along the microtubule in a coordinated way.We use Monte Carlo method to simulate the dynamics of this coordinated movement.Based on four essential assumptions,our simulations reproduce some features of the recent in vivo experiments.The fast moving speed of the cargo js simulated and the speed distribution is presented.
Monte Carlo simulation for the micellar behavior of amphiphilic comb-like copolymers
Institute of Scientific and Technical Information of China (English)
冯莺; 隋家贤; 赵季若; 陈欣方
2000-01-01
Micellar behaviors in 2D and 3D lattice models for amphiphilic comb-like copolymers in water phase and in water/oil mixtures were simulated. A dynamical algorithm together with chain reptation movements was used in the simulation. Three-dimension displaying program was pro-grammed and free energy was estimated by Monte Carlo technigue. The results demonstrate that reduced interaction energy influences morphological structures of micelle and emulsion ??stems greatly; 3D simulation showing can display more direct images of morphological structures; the amphiphilic comb-like polymers with a hydrophobic main chain and hydrophilic side chains have lower energy in water than in oil.
Monte Carlo simulations of SOHO/EPHIN instrument response to hydrogen and helium isotopes
Gómez-Herrero, R; Rodríguez-Friás, M D; Gutíerrez, J; Hernández-Encinas, L; Yetim, F
2002-01-01
Numerical simulations are a valuable tool when designing and characterizing particle telescopes. Simulation results can be used to improve the quality of experimental data analysis. In this work a Monte Carlo simulation code based on CERN tool GEANT 3.21 has been used to follow the SOHO/EPHIN instrument response to the detection of hydrogen and helium nuclei. Energy-dependent geometric factors and energy intervals of effective detection have been obtained separately for each isotope (/sup 1/H, /sup 2/H, /sup 3/He, and /sup 4/He). Energy measurement exactitude and incident directions have also been studied. (5 refs).
Gan, Zecheng
2013-01-01
Computer simulation with Monte Carlo is an important tool to investigate the function and equilibrium properties of many systems with biological and soft matter materials solvable in solvents. The appropriate treatment of long-range electrostatic interaction is essential for these charged systems, but remains a challenging problem for large-scale simulations. We have developed an efficient Barnes-Hut treecode algorithm for electrostatic evaluation in Monte Carlo simulations of Coulomb many-body systems. The algorithm is based on a divide-and-conquer strategy and fast update of the octree data structure in each trial move through a local adjustment procedure. We test the accuracy of the tree algorithm, and use it to computer simulations of electric double layer near a spherical interface. It has been shown that the computational cost of the Monte Carlo method with treecode acceleration scales as $\\log N$ in each move. For a typical system with ten thousand particles, by using the new algorithm, the speed has b...
The proton therapy nozzles at Samsung Medical Center: A Monte Carlo simulation study using TOPAS
Chung, Kwangzoo; Kim, Jinsung; Kim, Dae-Hyun; Ahn, Sunghwan; Han, Youngyih
2015-07-01
To expedite the commissioning process of the proton therapy system at Samsung Medical Center (SMC), we have developed a Monte Carlo simulation model of the proton therapy nozzles by using TOol for PArticle Simulation (TOPAS). At SMC proton therapy center, we have two gantry rooms with different types of nozzles: a multi-purpose nozzle and a dedicated scanning nozzle. Each nozzle has been modeled in detail following the geometry information provided by the manufacturer, Sumitomo Heavy Industries, Ltd. For this purpose, the novel features of TOPAS, such as the time feature or the ridge filter class, have been used, and the appropriate physics models for proton nozzle simulation have been defined. Dosimetric properties, like percent depth dose curve, spreadout Bragg peak (SOBP), and beam spot size, have been simulated and verified against measured beam data. Beyond the Monte Carlo nozzle modeling, we have developed an interface between TOPAS and the treatment planning system (TPS), RayStation. An exported radiotherapy (RT) plan from the TPS is interpreted by using an interface and is then translated into the TOPAS input text. The developed Monte Carlo nozzle model can be used to estimate the non-beam performance, such as the neutron background, of the nozzles. Furthermore, the nozzle model can be used to study the mechanical optimization of the design of the nozzle.
Exploring fluctuations and phase equilibria in fluid mixtures via Monte Carlo simulation
Denton, Alan R.; Schmidt, Michael P.
2013-03-01
Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo (GEMC), which allows direct computation of phase coexistence curves of model fluids by assigning each phase to its own simulation cell. When one or both of the phases can be modelled virtually via an analytic free energy function (Mehta and Kofke 1993 Mol. Phys. 79 39), the GEMC method takes on new pedagogical significance as an efficient means of analysing fluctuations and illuminating the statistical foundation of phase behaviour in finite systems. Here we extend this virtual GEMC method to binary fluid mixtures and demonstrate its implementation and instructional value with two applications: (1) a lattice model of simple mixtures and polymer blends and (2) a free-volume model of a complex mixture of colloids and polymers. We present algorithms for performing Monte Carlo trial moves in the virtual Gibbs ensemble, validate the method by computing fluid demixing phase diagrams, and analyse the dependence of fluctuations on system size. Our open-source simulation programs, coded in the platform-independent Java language, are suitable for use in classroom, tutorial, or computational laboratory settings.
Modeling weight variability in a pan coating process using Monte Carlo simulations.
Pandey, Preetanshu; Katakdaunde, Manoj; Turton, Richard
2006-10-06
The primary objective of the current study was to investigate process variables affecting weight gain mass coating variability (CV(m) ) in pan coating devices using novel video-imaging techniques and Monte Carlo simulations. Experimental information such as the tablet location, circulation time distribution, velocity distribution, projected surface area, and spray dynamics was the main input to the simulations. The data on the dynamics of tablet movement were obtained using novel video-imaging methods. The effects of pan speed, pan loading, tablet size, coating time, spray flux distribution, and spray area and shape were investigated. CV(m) was found to be inversely proportional to the square root of coating time. The spray shape was not found to affect the CV(m) of the process significantly, but an increase in the spray area led to lower CV(m) s. Coating experiments were conducted to verify the predictions from the Monte Carlo simulations, and the trends predicted from the model were in good agreement. It was observed that the Monte Carlo simulations underpredicted CV(m) s in comparison to the experiments. The model developed can provide a basis for adjustments in process parameters required during scale-up operations and can be useful in predicting the process changes that are needed to achieve the same CV(m) when a variable is altered.
GPU-accelerated Monte Carlo simulation of particle coagulation based on the inverse method
Wei, J.; Kruis, F. E.
2013-09-01
Simulating particle coagulation using Monte Carlo methods is in general a challenging computational task due to its numerical complexity and the computing cost. Currently, the lowest computing costs are obtained when applying a graphic processing unit (GPU) originally developed for speeding up graphic processing in the consumer market. In this article we present an implementation of accelerating a Monte Carlo method based on the Inverse scheme for simulating particle coagulation on the GPU. The abundant data parallelism embedded within the Monte Carlo method is explained as it will allow an efficient parallelization of the MC code on the GPU. Furthermore, the computation accuracy of the MC on GPU was validated with a benchmark, a CPU-based discrete-sectional method. To evaluate the performance gains by using the GPU, the computing time on the GPU against its sequential counterpart on the CPU were compared. The measured speedups show that the GPU can accelerate the execution of the MC code by a factor 10-100, depending on the chosen particle number of simulation particles. The algorithm shows a linear dependence of computing time with the number of simulation particles, which is a remarkable result in view of the n2 dependence of the coagulation.
Number of iterations needed in Monte Carlo Simulation using reliability analysis for tunnel supports
Directory of Open Access Journals (Sweden)
E. Bukaçi
2016-06-01
Full Text Available There are many methods in geotechnical engineering which could take advantage of Monte Carlo Simulation to establish probability of failure, since closed form solutions are almost impossible to use in most cases. The problem that arises with using Monte Carlo Simulation is the number of iterations needed for a particular simulation.This article will show why it’s important to calculate number of iterations needed for Monte Carlo Simulation used in reliability analysis for tunnel supports using convergence – confinement method. Number if iterations needed will be calculated with two methods. In the first method, the analyst has to accept a distribution function for the performance function. The other method suggested by this article is to calculate number of iterations based on the convergence of the factor the analyst is interested in the calculation. Reliability analysis will be performed for the diversion tunnel in Rrëshen, Albania, by using both methods mentioned and results will be confronted
Energy Technology Data Exchange (ETDEWEB)
Mendes, Hitalo R.; Tomal, Alessandra [Universidade Estadual de Campinas (UNICAMP), Campinas, SP (Brazil). Instituto de Fisica Gleb Wataghin
2016-07-01
The dosimetry in pediatric radiology is essential due to the higher risk that children have in comparison to adults. The focus of this study is to present how the dose varies depending on the depth in a 10 year old and a newborn, for this purpose simulations are made using the Monte Carlo method. Potential differences were considered 70 and 90 kVp for the 10 year old and 70 and 80 kVp for the newborn. The results show that in both cases, the dose at the skin surface is larger for smaller potential value, however, it decreases faster for larger potential values. Another observation made is that because the newborn is less thick the ratio between the initial dose and the final is lower compared to the case of a 10 year old, showing that it is possible to make an image using a smaller entrance dose in the skin, keeping the same level of exposure at the detector. (author)
Energy Technology Data Exchange (ETDEWEB)
Oramas Polo, I.
2014-07-01
This paper presents the simulation of the gamma camera Park Isocam II by Monte Carlo code SIMIND. This simulation allows detailed assessment of the functioning of the gamma camera. The parameters evaluated by means of the simulation are: the intrinsic uniformity with different window amplitudes, the system uniformity, the extrinsic spatial resolution, the maximum rate of counts, the intrinsic sensitivity, the system sensitivity, the energy resolution and the pixel size. The results of the simulation are compared and evaluated against the specifications of the manufacturer of the gamma camera and taking into account the National Protocol for Quality Control of Nuclear Medicine Instruments of the Cuban Medical Equipment Control Center. The simulation reported here demonstrates the validity of the SIMIND Monte Carlo code to evaluate the performance of the gamma camera Park Isocam II and as result a computational model of the camera has been obtained. (Author)
The adaptation method in the Monte Carlo simulation for computed tomography
Energy Technology Data Exchange (ETDEWEB)
Lee, Hyoung Gun; Yoon, Chang Yeon; Lee, Won Ho [Dept. of Bio-convergence Engineering, Korea University, Seoul (Korea, Republic of); Cho, Seung Ryong [Dept. of Nuclear and Quantum Engineering, Korea Advanced Institute of Science and Technology, Daejeon (Korea, Republic of); Park, Sung Ho [Dept. of Neurosurgery, Ulsan University Hospital, Ulsan (Korea, Republic of)
2015-06-15
The patient dose incurred from diagnostic procedures during advanced radiotherapy has become an important issue. Many researchers in medical physics are using computational simulations to calculate complex parameters in experiments. However, extended computation times make it difficult for personal computers to run the conventional Monte Carlo method to simulate radiological images with high-flux photons such as images produced by computed tomography (CT). To minimize the computation time without degrading imaging quality, we applied a deterministic adaptation to the Monte Carlo calculation and verified its effectiveness by simulating CT image reconstruction for an image evaluation phantom (Catphan; Phantom Laboratory, New York NY, USA) and a human-like voxel phantom (KTMAN-2) (Los Alamos National Laboratory, Los Alamos, NM, USA). For the deterministic adaptation, the relationship between iteration numbers and the simulations was estimated and the option to simulate scattered radiation was evaluated. The processing times of simulations using the adaptive method were at least 500 times faster than those using a conventional statistical process. In addition, compared with the conventional statistical method, the adaptive method provided images that were more similar to the experimental images, which proved that the adaptive method was highly effective for a simulation that requires a large number of iterations-assuming no radiation scattering in the vicinity of detectors minimized artifacts in the reconstructed image.
Evaluation of effective dose with chest digital tomosynthesis system using Monte Carlo simulation
Kim, Dohyeon; Jo, Byungdu; Lee, Youngjin; Park, Su-Jin; Lee, Dong-Hoon; Kim, Hee-Joung
2015-03-01
Chest digital tomosynthesis (CDT) system has recently been introduced and studied. This system offers the potential to be a substantial improvement over conventional chest radiography for the lung nodule detection and reduces the radiation dose with limited angles. PC-based Monte Carlo program (PCXMC) simulation toolkit (STUK, Helsinki, Finland) is widely used to evaluate radiation dose in CDT system. However, this toolkit has two significant limits. Although PCXMC is not possible to describe a model for every individual patient and does not describe the accurate X-ray beam spectrum, Geant4 Application for Tomographic Emission (GATE) simulation describes the various size of phantom for individual patient and proper X-ray spectrum. However, few studies have been conducted to evaluate effective dose in CDT system with the Monte Carlo simulation toolkit using GATE. The purpose of this study was to evaluate effective dose in virtual infant chest phantom of posterior-anterior (PA) view in CDT system using GATE simulation. We obtained the effective dose at different tube angles by applying dose actor function in GATE simulation which was commonly used to obtain the medical radiation dosimetry. The results indicated that GATE simulation was useful to estimate distribution of absorbed dose. Consequently, we obtained the acceptable distribution of effective dose at each projection. These results indicated that GATE simulation can be alternative method of calculating effective dose in CDT applications.
The adaptation method in the Monte Carlo simulation for computed tomography
Directory of Open Access Journals (Sweden)
Hyounggun Lee
2015-06-01
Full Text Available The patient dose incurred from diagnostic procedures during advanced radiotherapy has become an important issue. Many researchers in medical physics are using computational simulations to calculate complex parameters in experiments. However, extended computation times make it difficult for personal computers to run the conventional Monte Carlo method to simulate radiological images with high-flux photons such as images produced by computed tomography (CT. To minimize the computation time without degrading imaging quality, we applied a deterministic adaptation to the Monte Carlo calculation and verified its effectiveness by simulating CT image reconstruction for an image evaluation phantom (Catphan; Phantom Laboratory, New York NY, USA and a human-like voxel phantom (KTMAN-2 (Los Alamos National Laboratory, Los Alamos, NM, USA. For the deterministic adaptation, the relationship between iteration numbers and the simulations was estimated and the option to simulate scattered radiation was evaluated. The processing times of simulations using the adaptive method were at least 500 times faster than those using a conventional statistical process. In addition, compared with the conventional statistical method, the adaptive method provided images that were more similar to the experimental images, which proved that the adaptive method was highly effective for a simulation that requires a large number of iterations—assuming no radiation scattering in the vicinity of detectors minimized artifacts in the reconstructed image.
Direct Measurement of Power Dissipated by Monte Carlo Simulations on CPU and FPGA Platforms
DEFF Research Database (Denmark)
Albicocco, Pietro; Papini, Davide; Nannarelli, Alberto
In this technical report, we describe how power dissipation measurements on different computing platforms (a desktop computer and an FPGA board) are performed by using a Hall effectbased current sensor. The chosen application is a Monte Carlo simulation for European option pricing which is a popu......In this technical report, we describe how power dissipation measurements on different computing platforms (a desktop computer and an FPGA board) are performed by using a Hall effectbased current sensor. The chosen application is a Monte Carlo simulation for European option pricing which...... is a popular algorithm used in financial computations. The Hall effect probe measurements complement the measurements performed on the core of the FPGA by a built-in Xilinx power monitoring system....
Monte Carlo Simulation of the Potts Model on a Dodecagonal Quasiperiodic Structure
Institute of Scientific and Technical Information of China (English)
WEN Zhang-Bin; HOU Zhi-Lin; FU Xiu-Jun
2011-01-01
By means of a Monte Carlo simulation, we study the three-state Potts model on a two-dimensional quasiperiodic structure based on a dodecagonal cluster covering pattern. The critical temperature and exponents are obtained from finite-size scaling analysis. It is shown that the Potts model on the quasiperiodic lattice belongs to the same universal class as those on periodic ones.%@@ By means of a Monte Carlo simulation, we study the three-state Potts model on a two-dimensional quasiperiodic structure based on a dodecagonal cluster covering pattern.The critical temperature and exponents are obtained from finite-size scaling analysis.It is shown that the Potts model on the quasiperiodic lattice belongs to the same universal class as those on periodic ones.
MONTE CARLO SIMULATION OF SPIN-POLARIZED SECONDARY ELECTRONS FROM IRON
Institute of Scientific and Technical Information of China (English)
X. Sun; Z.J. Ding; H.M Li; K. Salma; Z.M. Zhang; W.S. Tan
2005-01-01
A Monte Carlo model considering the electron spin direction and spin asymmetry has been developed. The energy distribution of the secondary electron polarization and the primary energy dependence of the polarization from Fe are studied. The simulation results show that:(1) the intensity of the spin-up secondary electrons is larger thanvthat of thevspin-down secondary electrons, suggesting the secondary electrons are spin polarized; (2) the spin polarization of secondary electrons with nearly zero kinetic energy is higher than the average valance spin polarization, Pb=27% for Fe. With increasing kinetic energy, the spin polarization of the secondary electrons decreases to the value of Pb remaining constant at higher kinetic energies;(3) the spin polarization increases with an increase in the primary energy and reaches a saturation value at higher primary energy in both the Monte Carlo simulation and experimental results.
Probabilistic power flow using improved Monte Carlo simulation method with correlated wind sources
Bie, Pei; Zhang, Buhan; Li, Hang; Deng, Weisi; Wu, Jiasi
2017-01-01
Probabilistic Power Flow (PPF) is a very useful tool for power system steady-state analysis. However, the correlation among different random injection power (like wind power) brings great difficulties to calculate PPF. Monte Carlo simulation (MCS) and analytical methods are two commonly used methods to solve PPF. MCS has high accuracy but is very time consuming. Analytical method like cumulants method (CM) has high computing efficiency but the cumulants calculating is not convenient when wind power output does not obey any typical distribution, especially when correlated wind sources are considered. In this paper, an Improved Monte Carlo simulation method (IMCS) is proposed. The joint empirical distribution is applied to model different wind power output. This method combines the advantages of both MCS and analytical method. It not only has high computing efficiency, but also can provide solutions with enough accuracy, which is very suitable for on-line analysis.
Monte Carlo Simulation of Laser-Ablated Particle Splitting Dynamic in a Low Pressure Inert Gas
Ding, Xuecheng; Zhang, Zicai; Liang, Weihua; Chu, Lizhi; Deng, Zechao; Wang, Yinglong
2016-06-01
A Monte Carlo simulation method with an instantaneous density dependent mean-free-path of the ablated particles and the Ar gas is developed for investigating the transport dynamics of the laser-ablated particles in a low pressure inert gas. The ablated-particle density and velocity distributions are analyzed. The force distributions acting on the ablated particles are investigated. The influence of the substrate on the ablated-particle velocity distribution and the force distribution acting on the ablated particles are discussed. The Monte Carlo simulation results approximately agree with the experimental data at the pressure of 8 Pa to 17 Pa. This is helpful to investigate the gas phase nucleation and growth mechanism of nanoparticles. supported by the Natural Science Foundation of Hebei Province, China (No. A2015201166) and the Natural Science Foundation of Hebei University, China (No. 2013-252)
Lucena, Sebastião M P; Mileo, Paulo G M; Silvino, Pedro F G; Cavalcante, Célio L
2011-12-01
The adsorption equilibrium of methane in PCN-14 was simulated by the Monte Carlo technique in the grand canonical ensemble. A new force field was proposed for the methane/PCN-14 system, and the temperature dependence of the molecular siting was investigated. A detailed study of the statistics of the center of mass and potential energy showed a surprising site behavior with no energy barriers between weak and strong sites, allowing open metal sites to guide methane molecules to other neighboring sites. Moreover, this study showed that a model assuming weakly adsorbing open metal clusters in PCN-14, densely populated only at low temperatures (below 150 K), can explain published experimental data. These results also explain previously observed discrepancies between neutron diffraction experiments and Monte Carlo simulations.
Kinetic Monte Carlo and Cellular Particle Dynamics Simulations of Multicellular Systems
Flenner, Elijah; Barz, Bogdan; Neagu, Adrian; Forgacs, Gabor; Kosztin, Ioan
2011-01-01
Computer modeling of multicellular systems has been a valuable tool for interpreting and guiding in vitro experiments relevant to embryonic morphogenesis, tumor growth, angiogenesis and, lately, structure formation following the printing of cell aggregates as bioink particles. Computer simulations based on Metropolis Monte Carlo (MMC) algorithms were successful in explaining and predicting the resulting stationary structures (corresponding to the lowest adhesion energy state). Here we introduce two alternatives to the MMC approach for modeling cellular motion and self-assembly: (1) a kinetic Monte Carlo (KMC), and (2) a cellular particle dynamics (CPD) method. Unlike MMC, both KMC and CPD methods are capable of simulating the dynamics of the cellular system in real time. In the KMC approach a transition rate is associated with possible rearrangements of the cellular system, and the corresponding time evolution is expressed in terms of these rates. In the CPD approach cells are modeled as interacting cellular ...
Using high performance computing and Monte Carlo simulation for pricing american options
Cvetanoska, Verche
2012-01-01
High performance computing (HPC) is a very attractive and relatively new area of research, which gives promising results in many applications. In this paper HPC is used for pricing of American options. Although the American options are very significant in computational finance; their valuation is very challenging, especially when the Monte Carlo simulation techniques are used. For getting the most accurate price for these types of options we use Quasi Monte Carlo simulation, which gives the best convergence. Furthermore, this algorithm is implemented on both GPU and CPU. Additionally, the CUDA architecture is used for harnessing the power and the capability of the GPU for executing the algorithm in parallel which is later compared with the serial implementation on the CPU. In conclusion this paper gives the reasons and the advantages of applying HPC in computational finance.
The effect of variability in body segment parameters on joint moment using Monte Carlo simulations.
Nguyen, Tam C; Reynolds, Karen J
2014-01-01
This study used Monte Carlo methods to simulate the effects of variability and uncertainty in inertial body segment parameters (BSPs) on joint torques calculated using inverse dynamics. The average and standard deviation values of BSPs from previously published studies were used as inputs into the Monte Carlo simulation. Data from five groups were evaluated: cadaveric subjects; living subjects (Caucasian only); female living subjects (Caucasian only); male living subjects (Caucasian only); and living subjects (non-Caucasian). The differences in BSPs observed between the different groups were statistically significant; however, using BSP variability data from these groups made little difference to the calculated joint torques. This suggests that for slow and repeatable movement such as walking, BSPs have little effect on joint moments, except for the swing phase. Even then, the magnitude of difference in the swing phase due to variability in BSPs is not much greater than the inter-trial variability. As expected, distal BSPs have little effect on proximal joint moment.
Monte Carlo Simulations of Synchrotron Radiation and Vacuum Performance of the MAX IV Light Sources
Ady, M; Grabski, M
2014-01-01
In the 3 GeV ring of MAX IV light source in Lund, Sweden, the intense synchrotron radiation (SR) distributed along the ring generates important thermal and vacuum effects. By means of a Monte Carlo simulation package, which is currently developed at CERN, both thermal and vacuum effects are quantitatively analysed, in particular near the crotch absorbers and the surrounding NEG-coated vacuum chambers. Using SynRad+, the beam trajectory of the upstream bending magnet is calculated; SR photons are generated and traced through the geometry until their absorption. This allows an analysis of the incident power density on the absorber, and to calculate the photon induced outgassing. The results are imported to Molflow+, a Monte Carlo vacuum simulator that works in the molecular flow regime, and the pressure in the vacuum system and the saturation length of the NEG coating are determined using iterations.
Energy Technology Data Exchange (ETDEWEB)
Villafan-Vidales, H.I.; Arancibia-Bulnes, C.A.; Dehesa-Carrasco, U. [Centro de Investigacion en Energia, Universidad Nacional Autonoma de Mexico, Privada Xochicalco s/n, Col. Centro, A.P. 34, Temixco, Morelos 62580 (Mexico); Romero-Paredes, H. [Departamento de Ingenieria de Procesos e Hidraulica, Universidad Autonoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco No.186, Col. Vicentina, A.P. 55-534, Mexico D.F 09340 (Mexico)
2009-01-15
Radiative heat transfer in a solar thermochemical reactor for the thermal reduction of cerium oxide is simulated with the Monte Carlo method. The directional characteristics and the power distribution of the concentrated solar radiation that enters the cavity is obtained by carrying out a Monte Carlo ray tracing of a paraboloidal concentrator. It is considered that the reactor contains a gas/particle suspension directly exposed to concentrated solar radiation. The suspension is treated as a non-isothermal, non-gray, absorbing, emitting, and anisotropically scattering medium. The transport coefficients of the particles are obtained from Mie-scattering theory by using the optical properties of cerium oxide. From the simulations, the aperture radius and the particle concentration were optimized to match the characteristics of the considered concentrator. (author)
Coarse-grained stochastic processes and Monte Carlo simulations in lattice systems
Katsoulakis, M A; Vlachos, D G
2003-01-01
In this paper we present a new class of coarse-grained stochastic processes and Monte Carlo simulations, derived directly from microscopic lattice systems and describing mesoscopic length scales. As our primary example, we mainly focus on a microscopic spin-flip model for the adsorption and desorption of molecules between a surface adjacent to a gas phase, although a similar analysis carries over to other processes. The new model can capture large scale structures, while retaining microscopic information on intermolecular forces and particle fluctuations. The requirement of detailed balance is utilized as a systematic design principle to guarantee correct noise fluctuations for the coarse-grained model. We carry out a rigorous asymptotic analysis of the new system using techniques from large deviations and present detailed numerical comparisons of coarse-grained and microscopic Monte Carlo simulations. The coarse-grained stochastic algorithms provide large computational savings without increasing programming ...
Energy Technology Data Exchange (ETDEWEB)
Matsumiya, T. [Nippon Steel Corporation, Tokyo (Japan)
1996-08-20
The Monte Carlo method was used to simulate an equilibrium diagram, and structural formation of transformation and recrystallization. In simulating the Cu-A equilibrium diagram, the calculation was performed by laying 24 face centered cubic lattices including four lattice points in all of the three directions, and using a simulation cell consisting of lattice points of a total of 24{sup 3}{times}4 points. Although this method has a possibility to discover existence of an unknown phase as a result of the calculation, problems were found left in handling of lattice mitigation, and in simulation of phase diagrams over phases with different crystal structures. In simulation of the transformation and recrystallization, discussions were given on correspondence of 1MCS to time when the lattice point size is increased, and on handling of nucleus formation. As a result, it was estimated that in three-dimensional grain growth, the average grain size is proportional to 1/3 power of the MCS number, and the real time against 1MCS is proportional to three power of the lattice point size. 11 refs., 8 figs., 2 tabs.
Monte-Carlo simulations of strongly interacting dipolar fluids between two conducting walls
Klapp, Sabine H. L.
2006-01-01
Abstract We report Monte-Carlo simulation results for a strongly interacting dipolar soft-sphere (DSS) fluid confined between two conducting, planar walls. The long-range dipolar interactions, including contributions from the ``image dipoles'' in the metal, are handled by mapping onto a problem with three-dimensional periodicity which can be treated by conventional Ewald summation methods. Considering two different wall separationsour results indicate the occurence of wall...
Large-scale Monte Carlo simulations of the isotropic three-dimensional Heisenberg spin glass
Lee, L W; Young, A. P.
2007-01-01
We study the Heisenberg spin glass by large-scale Monte Carlo simulations for sizes up to 32^3, down to temperatures below the transition temperature claimed in earlier work. The data for the larger sizes show more marginal behavior than that for the smaller sizes, indicating the lower critical dimension is close to, and possibly equal to three. We find that the spins and chiralities behave in a quite similar manner.
Radiation hydrodynamics simulations of massive star formation using Monte Carlo radiation transfer
Harries, Tim J; Acreman, David
2012-01-01
We present a radiation hydrodynamics simulation of the formation of a massive star using a Monte Carlo treatment for the radiation field. We find that strong, high speed bipolar cavities are driven by the radiation from the protostar, and that accretion occurs stochastically from a circumstellar disc. We have computed spectral energy distributions and images at each timestep, which may in future be used to compare our models with photometric, spectroscopic, and interferometric observations of young massive stellar objects.
Monte Carlo simulation of a two-field effective Hamiltonian of complete wetting
Flesia, S.
1997-01-01
Recent work on the complete wetting transition for three dimensional systems with short-ranged forces has emphasized the role played by the coupling of order-parameter fluctuations near the wall and depinning interface. It has been proposed that an effective two-field Hamiltonian, which predicts a renormalisation of the wetting parameter, could explain the controversy between RG analysis of the capillary-wave model and Monte Carlo simulations on the Ising model. In this letter results of exte...
A Monte Carlo Simulation for the Ion Transport in Glow Discharges with Dusts
Institute of Scientific and Technical Information of China (English)
SUN Ai-Ping; PU Wei; QIU Xiao-Ming
2001-01-01
We use the Monte Carlo method to simulate theion transport in the rf parallel plate glow discharge with a negative-voltage pulse connected to the electrode. It is found that self-consistent field, dust charge, dust concentration,and dust size influence the energy distribution and the density of the ions arriving at the target, and in particular, the latter two make significant influence. As dust concentration or dust size increases, the number of ions arriving at the target reduces greatly.
Shahla Ahmadi; Hossein Rajabi; Farshid Babapoor; Faraz Kalantari
2011-01-01
Introduction: The main goal of SPECT imaging is to determine activity distribution inside the organs of the body. However, due to photon attenuation, it is almost impossible to do a quantitative study. In this paper, we suggest a mathematical relationship between activity distribution and its corresponding projections using a transfer matrix. Monte Carlo simulation was used to find a precise transfer matrix including the effects of photon attenuation. Material and Methods: List mode output o...
Energy Technology Data Exchange (ETDEWEB)
Tholomier, M.; Vicario, E.; Doghmane, N.
1987-10-01
The contribution of backscattered electrons to Auger electrons yield was studied with a multiple scattering Monte-Carlo simulation. The Auger backscattering factor has been calculated in the 5 keV-60 keV energy range. The dependence of the Auger backscattering factor on the primary energy and the beam incidence angle were determined. Spatial distributions of backscattered electrons and Auger electrons are presented for a point incident beam. Correlations between these distributions are briefly investigated.
Deposition at glancing angle, surface roughness, and protein adsorption: Monte Carlo simulations.
Zhdanov, Vladimir P; Rechendorff, Kristian; Hovgaard, Mads B; Besenbacher, Flemming
2008-06-19
To generate rough surfaces in Monte Carlo simulations, we use the 2 + 1 solid-on-solid model of deposition with rapid transient diffusion of newly arrived atoms supplied at glancing angle. The surfaces generated are employed to scrutinize the effect of surface roughness on adsorption of globular and anisotropic rodlike proteins. The obtained results are compared with the available experimental data for Ta deposition at glancing angle and for the bovine serum albumin and fibrinogen uptake on the corresponding Ta films.
REX: A Monte Carlo simulation of thick gas target resonant scattering reactions
Energy Technology Data Exchange (ETDEWEB)
Curtis, N., E-mail: n.curtis@bham.ac.uk; Walshe, J.
2015-10-11
A Monte Carlo code has been developed to simulate resonant scattering reactions using the thick gas target technique in inverse kinematics. Results are presented for the {sup 4}He({sup 20}Ne,α){sup 20}Ne reaction at 70 MeV, and compared to an experimental measurement which utilised an array of segmented silicon strip detectors. In the case studied, angular straggling in the chamber window is found to dominate the excitation energy resolution.
Kinetic Monte Carlo simulation of physical vapor deposition of thin Cu film
Institute of Scientific and Technical Information of China (English)
WANG Jun; CHEN Chang-qi; ZHU Wu
2004-01-01
A two-dimensional Kinetic Monte Carlo method has been developed for simulating the physical vapor deposition of thin Cu films on Cu substrate. An improved embedded atom method was used to calculate the interatomic potential and determine the diffusion barrier energy and residence time. Parameters, including incident angle,deposition rate and substrate temperature, were investigated and discussed in order to find their influences on the thin film morphology.
Energy Technology Data Exchange (ETDEWEB)
Nomura, Yasushi [Department of Fuel Cycle Safety Research, Nuclear Safety Research Center, Tokai Research Establishment, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan); Tamaki, Hitoshi [Department of Safety Research Technical Support, Tokai Research Establishment, Japan Atomic Energy Research Institute, Tokai, Ibaraki (Japan); Kanai, Shigeru [Fuji Research Institute Corporation, Tokyo (Japan)
2000-04-01
In a plant system consisting of complex equipments and components for a reprocessing facility, there might be grace time between an initiating event and a resultant serious accident, allowing operating personnel to take remedial actions, thus, terminating the ongoing accident sequence. A component Monte Carlo simulation computer program TITAN has been developed to analyze such a complex reliability model including the grace time without any difficulty to obtain an accident occurrence frequency. Firstly, basic methods for the component Monte Carlo simulation is introduced to obtain an accident occurrence frequency, and then, the basic performance such as precision, convergence, and parallelization of calculation, is shown through calculation of a prototype accident sequence model. As an example to illustrate applicability to a real scale plant model, a red oil explosion in a German reprocessing plant model is simulated to show that TITAN can give an accident occurrence frequency with relatively good accuracy. Moreover, results of uncertainty analyses by TITAN are rendered to show another performance, and a proposal is made for introducing of a new input-data format to adapt the component Monte Carlo simulation. The present paper describes the calculational method, performance, applicability to a real scale, and new proposal for the TITAN code. In the Appendixes, a conventional analytical method is shown to avoid complex and laborious calculation to obtain a strict solution of accident occurrence frequency, compared with Monte Carlo method. The user's manual and the list/structure of program are also contained in the Appendixes to facilitate TITAN computer program usage. (author)
Monte Carlo Simulation of the Coaxial Electrons Backscattering from Thin Films
Institute of Scientific and Technical Information of China (English)
无
2002-01-01
By using the Monte Carlo method, we simulated the trajectories of coaxial backscattering electrons corresponding to a new type of scanning electron microscope. From the calculated results, we obtain a universal expression, which describes with good accuracy the backscattering coefficient versus film thickness under all conditions used. By measuring the coaxial backscattering coefficient and using this universal formula, the thickness of thin films can be determined if the composition is known.
Energy Technology Data Exchange (ETDEWEB)
Battaile, C.C.; Buchheit, T.E.; Holm, E.A.; Neilsen, M.K.; Wellman, G.W.
1999-01-12
The microstructural evolution of heavily deformed polycrystalline Cu is simulated by coupling a constitutive model for polycrystal plasticity with the Monte Carlo Potts model for grain growth. The effects of deformation on boundary topology and grain growth kinetics are presented. Heavy deformation leads to dramatic strain-induced boundary migration and subsequent grain fragmentation. Grain growth is accelerated in heavily deformed microstructures. The implications of these results for the thermomechanical fatigue failure of eutectic solder joints are discussed.
Monte Carlo Simulation of Siemens ONCOR Linear Accelerator with BEAMnrc and DOSXYZnrc Code.
Jabbari, Keyvan; Anvar, Hossein Saberi; Tavakoli, Mohammad Bagher; Amouheidari, Alireza
2013-07-01
The Monte Carlo method is the most accurate method for simulation of radiation therapy equipment. The linear accelerators (linac) are currently the most widely used machines in radiation therapy centers. In this work, a Monte Carlo modeling of the Siemens ONCOR linear accelerator in 6 MV and 18 MV beams was performed. The results of simulation were validated by measurements in water by ionization chamber and extended dose range (EDR2) film in solid water. The linac's X-ray particular are so sensitive to the properties of primary electron beam. Square field size of 10 cm × 10 cm produced by the jaws was compared with ionization chamber and film measurements. Head simulation was performed with BEAMnrc and dose calculation with DOSXYZnrc for film measurements and 3ddose file produced by DOSXYZnrc analyzed used homemade MATLAB program. At 6 MV, the agreement between dose calculated by Monte Carlo modeling and direct measurement was obtained to the least restrictive of 1%, even in the build-up region. At 18 MV, the agreement was obtained 1%, except for in the build-up region. In the build-up region, the difference was 1% at 6 MV and 2% at 18 MV. The mean difference between measurements and Monte Carlo simulation is very small in both of ONCOR X-ray energy. The results are highly accurate and can be used for many applications such as patient dose calculation in treatment planning and in studies that model this linac with small field size like intensity-modulated radiation therapy technique.
Parallel J-W Monte Carlo Simulations of Thermal Phase Changes in Finite-size Systems
Radev, R
2002-01-01
The thermodynamic properties of 59 TeF6 clusters that undergo temperature-driven phase transitions have been calculated with a canonical J-walking Monte Carlo technique. A parallel code for simulations has been developed and optimized on SUN3500 and CRAY-T3E computers. The Lindemann criterion shows that the clusters transform from liquid to solid and then from one solid structure to another in the temperature region 60-130 K.
Energy Technology Data Exchange (ETDEWEB)
Zaim, A. [LPMMS, Faculte des Sciences, B.P. 11201, Zitoune, Meknes (Morocco); LPSMS, FST Errachidia, B.P. 509, Boutalamine, Errachidia (Morocco); Kerouad, M. [LPMMS, Faculte des Sciences, B.P. 11201, Zitoune, Meknes (Morocco)], E-mail: kerouad@fs-umi.ac.ma; EL Amraoui, Y. [LPSMS, FST Errachidia, B.P. 509, Boutalamine, Errachidia (Morocco)
2009-04-15
Monte Carlo simulation has been used to study the magnetic properties and hysteresis loops of a single nanocube, consisting of a ferromagnetic core of spin-1/2 surrounded by a ferromagnetic shell of spin-1 with antiferromagnetic interface coupling. We find a number of characteristic phenomena. In particular, the effects of the shell coupling and the interface coupling on both the compensation temperature and the magnetization profiles are investigated. The effects of the interface coupling on the hysteresis loops are also examined.
Magnetic ordering in GaAlAs:Mn heterostructures: Monte Carlo simulation
Energy Technology Data Exchange (ETDEWEB)
Boselli, M.A.; Ghazali, A.; Cunha Lima, I.C. da E-mail: ivan@uerj.br
2001-05-01
The magnetic order resulting from a confinement-adapted Ruderman-Kittel-Kasuya-Yosida indirect exchange between magnetic moments in the metallic phase of AlAs/Ga{sub 1-x}Mn{sub x} As structures is studied by Monte Carlo simulation. This coupling mechanism leads to a paramagnetic, ferromagnetic, or canted spin phase, depending on the carrier concentration, and on the magnetic layer width.
Classical Heisenberg antiferromagnet on a garnet lattice: a Monte Carlo simulation
2000-01-01
We have studied a classical antiferromagnet on a garnet lattice by means of Monte Carlo simulations in an attempt to examine the role of geometrical frustration in Gadolinium Gallium Garnet, Gd3Ga5O12 (GGG). Low-temperature specific heat, magnetisation, susceptibility, the autocorrelation function A(t) and the neutron scattering function S(Q) have been calculated for several models including different types of magnetic interactions and with the presence of an external magnetic field applied a...
Quantum Monte Carlo simulation of a two-dimensional Majorana lattice model
Hayata, Tomoya; Yamamoto, Arata
2017-07-01
We study interacting Majorana fermions in two dimensions as a low-energy effective model of a vortex lattice in two-dimensional time-reversal-invariant topological superconductors. For that purpose, we implement ab initio quantum Monte Carlo simulation to the Majorana fermion system in which the path-integral measure is given by a semipositive Pfaffian. We discuss spontaneous breaking of time-reversal symmetry at finite temperatures.
PeneloPET, a Monte Carlo PET simulation tool based on PENELOPE: features and validation
Energy Technology Data Exchange (ETDEWEB)
Espana, S; Herraiz, J L; Vicente, E; Udias, J M [Grupo de Fisica Nuclear, Departmento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, Madrid (Spain); Vaquero, J J; Desco, M [Unidad de Medicina y CirugIa Experimental, Hospital General Universitario Gregorio Maranon, Madrid (Spain)], E-mail: jose@nuc2.fis.ucm.es
2009-03-21
Monte Carlo simulations play an important role in positron emission tomography (PET) imaging, as an essential tool for the research and development of new scanners and for advanced image reconstruction. PeneloPET, a PET-dedicated Monte Carlo tool, is presented and validated in this work. PeneloPET is based on PENELOPE, a Monte Carlo code for the simulation of the transport in matter of electrons, positrons and photons, with energies from a few hundred eV to 1 GeV. PENELOPE is robust, fast and very accurate, but it may be unfriendly to people not acquainted with the FORTRAN programming language. PeneloPET is an easy-to-use application which allows comprehensive simulations of PET systems within PENELOPE. Complex and realistic simulations can be set by modifying a few simple input text files. Different levels of output data are available for analysis, from sinogram and lines-of-response (LORs) histogramming to fully detailed list mode. These data can be further exploited with the preferred programming language, including ROOT. PeneloPET simulates PET systems based on crystal array blocks coupled to photodetectors and allows the user to define radioactive sources, detectors, shielding and other parts of the scanner. The acquisition chain is simulated in high level detail; for instance, the electronic processing can include pile-up rejection mechanisms and time stamping of events, if desired. This paper describes PeneloPET and shows the results of extensive validations and comparisons of simulations against real measurements from commercial acquisition systems. PeneloPET is being extensively employed to improve the image quality of commercial PET systems and for the development of new ones.
Energy Technology Data Exchange (ETDEWEB)
Kim, Hyun Suk; Ye, Sung Joon [Seoul National University, Seoul (Korea, Republic of); Smith, Martin B.; Koslowsky, Martin R. [Bubble Technology Industries Inc., Chalk River (Canada); Kwak, Sung Woo [Korea Institute of Nuclear Nonproliferation And Control (KINAC), Daejeon (Korea, Republic of); Kim Gee Hyun [Sejong University, Seoul (Korea, Republic of)
2017-03-15
Simultaneous detection of neutrons and gamma rays have become much more practicable, by taking advantage of good gamma-ray discrimination properties using pulse shape discrimination (PSD) technique. Recently, we introduced a commercial CLYC system in Korea, and performed an initial characterization and simulation studies for the CLYC detector system to provide references for the future implementation of the dual-mode scintillator system in various studies and applications. We evaluated a CLYC detector with 95% 6Li enrichment using various gamma-ray sources and a 252Cf neutron source, with validation of our Monte Carlo simulation results via measurement experiments. Absolute full-energy peak efficiency values were calculated for gamma-ray sources and neutron source using MCNP6 and compared with measurement experiments of the calibration sources. In addition, behavioral characteristics of neutrons were validated by comparing simulations and experiments on neutron moderation with various polyethylene (PE) moderator thicknesses. Both results showed good agreements in overall characteristics of the gamma and neutron detection efficiencies, with consistent ⁓20% discrepancy. Furthermore, moderation of neutrons emitted from {sup 252}Cf showed similarities between the simulation and the experiment, in terms of their relative ratios depending on the thickness of the PE moderator. A CLYC detector system was characterized for its energy resolution and detection efficiency, and Monte Carlo simulations on the detector system was validated experimentally. Validation of the simulation results in overall trend of the CLYC detector behavior will provide the fundamental basis and validity of follow-up Monte Carlo simulation studies for the development of our dual-particle imager using a rotational modulation collimator.
Directory of Open Access Journals (Sweden)
M. S. Mayeed
2014-01-01
Full Text Available Applying the reptation algorithm to a simplified perfluoropolyether Z off-lattice polymer model an NVT Monte Carlo simulation has been performed. Bulk condition has been simulated first to compare the average radius of gyration with the bulk experimental results. Then the model is tested for its ability to describe dynamics. After this, it is applied to observe the replenishment of nanoscale ultrathin liquid films on solid flat carbon surfaces. The replenishment rate for trenches of different widths (8, 12, and 16 nms for several molecular weights between two films of perfluoropolyether Z from the Monte Carlo simulation is compared to that obtained solving the diffusion equation using the experimental diffusion coefficients of Ma et al. (1999, with room condition in both cases. Replenishment per Monte Carlo cycle seems to be a constant multiple of replenishment per second at least up to 2 nm replenished film thickness of the trenches over the carbon surface. Considerable good agreement has been achieved here between the experimental results and the dynamics of molecules using reptation moves in the ultrathin liquid films on solid surfaces.
Risk Consideration and Cost Estimation in Construction Projects Using Monte Carlo Simulation
Directory of Open Access Journals (Sweden)
Claudius A. Peleskei
2015-06-01
Full Text Available Construction projects usually involve high investments. It is, therefore, a risky adventure for companies as actual costs of construction projects nearly always exceed the planed scenario. This is due to the various risks and the large uncertainty existing within this industry. Determination and quantification of risks and their impact on project costs within the construction industry is described to be one of the most difficult areas. This paper analyses how the cost of construction projects can be estimated using Monte Carlo Simulation. It investigates if the different cost elements in a construction project follow a specific probability distribution. The research examines the effect of correlation between different project costs on the result of the Monte Carlo Simulation. The paper finds out that Monte Carlo Simulation can be a helpful tool for risk managers and can be used for cost estimation of construction projects. The research has shown that cost distributions are positively skewed and cost elements seem to have some interdependent relationships.
Kuu, Wei Y; Chilamkurti, Rao
2003-01-01
The purpose of this study is to utilize Monte Carlo Simulation methodology to determine the in-process limits for the parenteral solution manufacturing process. The Monte Carlo Simulation predicts the distribution of a dependable variable (such as drug concentration) in a naturally occurring process through random value generation considering the variability associated with the depended variable. The propagation of variation in drug concentration from batch to batch is cascading in nature during the following four formulation steps: 1) determination of drug raw material potency (or purity), 2) weighing of drug raw material, 3) measurement of batch volume, and 4) determination of drug concentration in the mix tank. The coefficients of variation for these four steps are denoted as CV1, CV2, CV3, and CV4, respectively. The Monte Carlo Simulation was performed for each of the above four cascading steps. The results of the simulation demonstrate that the in-process limits of the drug can be successfully determined using the Monte Carlo Simulation. Once the specification limits are determined, the Monte Carlo Simulation can be used to study the effect of each variability on the percent out of specification limits (OOL) for the in-process testing. Demonstrations were performed using the acceptance criterion of less than 5% of OOL batches, and the typical values of CV2 and CV3 being equal to 0.03% and 0.5%, respectively. The results show that for the in-process limits of +/- 1%, the values of CV1 and CV4 should not be greater than 0.1%. These assay requirements appear to be difficult to achieve for a given chemical analytical method. By comparison, for the In-process limits of +/- 4%, the requirements are much easier to achieve. The values of CV1 and CV4 should not be greater than 1.38%. In addition, the relationship between the percent OOL versus CV1 or CV4 is nonlinear per se. The number of OOL batches increases rapidly with increasing variability of CV1 or CV4.
Monte Carlo simulations for the optimisation of low-background Ge detector designs
Energy Technology Data Exchange (ETDEWEB)
Hakenmueller, Janina; Heusser, Gerd; Maneschg, Werner; Schreiner, Jochen; Simgen, Hardy; Stolzenburg, Dominik; Strecker, Herbert; Weber, Marc; Westernmann, Jonas [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, 69117 Heidelberg (Germany); Laubenstein, Matthias [Laboratori Nazionali del Gran Sasso, Via G. Acitelli 22, 67100 Assergi L' Aquila (Italy)
2015-07-01
Monte Carlo simulations for the low-background Ge spectrometer Giove at the underground laboratory of MPI-K, Heidelberg, are presented. In order to reduce the cosmogenic background at the present shallow depth (15 m w.e.) the shielding of the spectrometer includes an active muon veto and a passive shielding (lead and borated PE layers). The achieved background suppression is comparable to Ge spectrometers operated in much greater depth. The geometry of the detector and the shielding were implemented using the Geant4-based toolkit MaGe. The simulations were successfully optimised by determining the correct diode position and active volume. With the help of the validated Monte Carlo simulation the contribution of the single components to the overall background can be examined. This includes a comparison between simulated results and measurements with different fillings of the sample chamber. Having reproduced the measured detector background in the simulation provides the possibility to improve the background by reverse engineering of the passive and active shield layers in the simulation.
Deharak, B. A.; Savich, J. L.; Roberts, H. M.; Brown, E. G.; McGill, M. R.; Kim, B. N.; Weaver, C. M.; Martin, N. L. S.
2016-05-01
We have conducted a series of Monte Carlo simulations of laser assisted free-free scattering experiments. The simulations make use of Kroll-Watson approximation to account for the effects of the laser field on the scattering process. The parameters for these simulations are believed to mimic the experimental conditions of the work reported by Wallbank and Holmes, particularly the target number density. The simulations account for the effects multiple scattering (i.e., the scattering of a single incident electron from multiple target atoms). We present a comparison of the results of these simulations to the experimental results of Wallbank and Holmes. This work was supported by the National Science Foundation under Grants Nos. PHY-0855040 (NLSM) and PHY-1402899 (BAd).
Direct simulation Monte Carlo investigation of the Rayleigh-Taylor instability
Gallis, M. A.; Koehler, T. P.; Torczynski, J. R.; Plimpton, S. J.
2016-08-01
The Rayleigh-Taylor instability (RTI) is investigated using the direct simulation Monte Carlo (DSMC) method of molecular gas dynamics. Here, fully resolved two-dimensional DSMC RTI simulations are performed to quantify the growth of flat and single-mode perturbed interfaces between two atmospheric-pressure monatomic gases as a function of the Atwood number and the gravitational acceleration. The DSMC simulations reproduce many qualitative features of the growth of the mixing layer and are in reasonable quantitative agreement with theoretical and empirical models in the linear, nonlinear, and self-similar regimes. In some of the simulations at late times, the instability enters the self-similar regime, in agreement with experimental observations. For the conditions simulated, diffusion can influence the initial instability growth significantly.
Dick, Thomas J.; Wierzbicki, Andrzej; Madura, Jeffry D.
Free energy perturbation Monte Carlo (FEP/MC) simulations are performed for both the liquid and solid phases of water to determine the melting temperature of several popular three and four-site water models. Gibbs free energy vs. temperature plots are constructed from the simulations to determine the melting temperature. For the liquid phase, standard FEP/MC simulations are used to calculate the free energy relative to the gas phase at multiple temperatures. The free energy of the solid phase relative to the gas phase is calculated at multiple temperatures using the lattice-coupling method. The intersection of the free energy regression lines determines the estimate of the melting temperature. Additionally, simulations were carried out for simple salt solutions to determine the freezing point depressions (FPD). The simulations reproduce the FPD as a function of salt concentration for solutions of NaCl, KCl, CaCl2, and MgCl2.