Monte Carlo charged-particle tracking and energy deposition on a Lagrangian mesh.

Science.gov (United States)

Yuan, J; Moses, G A; McKenty, P W

2005-10-01

A Monte Carlo algorithm for alpha particle tracking and energy deposition on a cylindrical computational mesh in a Lagrangian hydrodynamics code used for inertial confinement fusion (ICF) simulations is presented. The straight line approximation is used to follow propagation of "Monte Carlo particles" which represent collections of alpha particles generated from thermonuclear deuterium-tritium (DT) reactions. Energy deposition in the plasma is modeled by the continuous slowing down approximation. The scheme addresses various aspects arising in the coupling of Monte Carlo tracking with Lagrangian hydrodynamics; such as non-orthogonal severely distorted mesh cells, particle relocation on the moving mesh and particle relocation after rezoning. A comparison with the flux-limited multi-group diffusion transport method is presented for a polar direct drive target design for the National Ignition Facility. Simulations show the Monte Carlo transport method predicts about earlier ignition than predicted by the diffusion method, and generates higher hot spot temperature. Nearly linear speed-up is achieved for multi-processor parallel simulations.

Monte Carlo Modeling of Crystal Channeling at High Energies

CERN Document Server

Schoofs, Philippe; Cerutti, Francesco

Charged particles entering a crystal close to some preferred direction can be trapped in the electromagnetic potential well existing between consecutive planes or strings of atoms. This channeling effect can be used to extract beam particles if the crystal is bent beforehand. Crystal channeling is becoming a reliable and efficient technique for collimating beams and removing halo particles. At CERN, the installation of silicon crystals in the LHC is under scrutiny by the UA9 collaboration with the goal of investigating if they are a viable option for the collimation system upgrade. This thesis describes a new Monte Carlo model of planar channeling which has been developed from scratch in order to be implemented in the FLUKA code simulating particle transport and interactions. Crystal channels are described through the concept of continuous potential taking into account thermal motion of the lattice atoms and using Moliere screening function. The energy of the particle transverse motion determines whether or n...

An improved energy-range relationship for high-energy electron beams based on multiple accurate experimental and Monte Carlo data sets

International Nuclear Information System (INIS)

Sorcini, B.B.; Andreo, P.; Hyoedynmaa, S.; Brahme, A.; Bielajew, A.F.

1995-01-01

A theoretically based analytical energy-range relationship has been developed and calibrated against well established experimental and Monte Carlo calculated energy-range data. Only published experimental data with a clear statement of accuracy and method of evaluation have been used. Besides published experimental range data for different uniform media, new accurate experimental data on the practical range of high-energy electron beams in water for the energy range 10-50 MeV from accurately calibrated racetrack microtrons have been used. Largely due to the simultaneous pooling of accurate experimental and Monte Carlo data for different materials, the fit has resulted in an increased accuracy of the resultant energy-range relationship, particularly at high energies. Up to date Monte Carlo data from the latest versions of the codes ITS3 and EGS4 for absorbers of atomic numbers between four and 92 (Be, C, H 2 O, PMMA, Al, Cu, Ag, Pb and U) and incident electron energies between 1 and 100 MeV have been used as a complement where experimental data are sparse or missing. The standard deviation of the experimental data relative to the new relation is slightly larger than that of the Monte Carlo data. This is partly due to the fact that theoretically based stopping and scattering cross-sections are used both to account for the material dependence of the analytical energy-range formula and to calculate ranges with the Monte Carlo programs. For water the deviation from the traditional energy-range relation of ICRU Report 35 is only 0.5% at 20 MeV but as high as - 2.2% at 50 MeV. An improved method for divergence and ionization correction in high-energy electron beams has also been developed to enable use of a wider range of experimental results. (Author)

Methodology of Continuous-Energy Adjoint Monte Carlo for Neutron, Photon, and Coupled Neutron-Photon Transport

International Nuclear Information System (INIS)

Hoogenboom, J. Eduard

2003-01-01

Adjoint Monte Carlo may be a useful alternative to regular Monte Carlo calculations in cases where a small detector inhibits an efficient Monte Carlo calculation as only very few particle histories will cross the detector. However, in general purpose Monte Carlo codes, normally only the multigroup form of adjoint Monte Carlo is implemented. In this article the general methodology for continuous-energy adjoint Monte Carlo neutron transport is reviewed and extended for photon and coupled neutron-photon transport. In the latter cases the discrete photons generated by annihilation or by neutron capture or inelastic scattering prevent a direct application of the general methodology. Two successive reaction events must be combined in the selection process to accommodate the adjoint analog of a reaction resulting in a photon with a discrete energy. Numerical examples illustrate the application of the theory for some simplified problems

Continuous energy Monte Carlo method based homogenization multi-group constants calculation

International Nuclear Information System (INIS)

Li Mancang; Wang Kan; Yao Dong

2012-01-01

The efficiency of the standard two-step reactor physics calculation relies on the accuracy of multi-group constants from the assembly-level homogenization process. In contrast to the traditional deterministic methods, generating the homogenization cross sections via Monte Carlo method overcomes the difficulties in geometry and treats energy in continuum, thus provides more accuracy parameters. Besides, the same code and data bank can be used for a wide range of applications, resulting in the versatility using Monte Carlo codes for homogenization. As the first stage to realize Monte Carlo based lattice homogenization, the track length scheme is used as the foundation of cross section generation, which is straight forward. The scattering matrix and Legendre components, however, require special techniques. The Scattering Event method was proposed to solve the problem. There are no continuous energy counterparts in the Monte Carlo calculation for neutron diffusion coefficients. P 1 cross sections were used to calculate the diffusion coefficients for diffusion reactor simulator codes. B N theory is applied to take the leakage effect into account when the infinite lattice of identical symmetric motives is assumed. The MCMC code was developed and the code was applied in four assembly configurations to assess the accuracy and the applicability. At core-level, A PWR prototype core is examined. The results show that the Monte Carlo based multi-group constants behave well in average. The method could be applied to complicated configuration nuclear reactor core to gain higher accuracy. (authors)

Quantum Monte Carlo for vibrating molecules

International Nuclear Information System (INIS)

Brown, W.R.; Lawrence Berkeley National Lab., CA

1996-08-01

Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies

Monte Carlo simulation of energy deposition by low-energy electrons in molecular hydrogen

Science.gov (United States)

Heaps, M. G.; Furman, D. R.; Green, A. E. S.

1975-01-01

A set of detailed atomic cross sections has been used to obtain the spatial deposition of energy by 1-20-eV electrons in molecular hydrogen by a Monte Carlo simulation of the actual trajectories. The energy deposition curve (energy per distance traversed) is quite peaked in the forward direction about the entry point for electrons with energies above the threshold of the electronic states, but the peak decreases and broadens noticeably as the electron energy decreases below 10 eV (threshold for the lowest excitable electronic state of H2). The curve also assumes a very symmetrical shape for energies below 10 eV, indicating the increasing importance of elastic collisions in determining the shape of the curve, although not the mode of energy deposition.

Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential

Science.gov (United States)

Moradi, M.; Hashemi, S.

2011-11-01

The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don't show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.

Methodology for estimating biomass energy potential and its application to Colombia

International Nuclear Information System (INIS)

Gonzalez-Salazar, Miguel Angel; Morini, Mirko; Pinelli, Michele; Spina, Pier Ruggero; Venturini, Mauro; Finkenrath, Matthias; Poganietz, Witold-Roger

2014-01-01

Highlights: • Methodology to estimate the biomass energy potential and its uncertainty at a country level. • Harmonization of approaches and assumptions in existing assessment studies. • The theoretical and technical biomass energy potential in Colombia are estimated in 2010. - Abstract: This paper presents a methodology to estimate the biomass energy potential and its associated uncertainty at a country level when quality and availability of data are limited. The current biomass energy potential in Colombia is assessed following the proposed methodology and results are compared to existing assessment studies. The proposed methodology is a bottom-up resource-focused approach with statistical analysis that uses a Monte Carlo algorithm to stochastically estimate the theoretical and the technical biomass energy potential. The paper also includes a proposed approach to quantify uncertainty combining a probabilistic propagation of uncertainty, a sensitivity analysis and a set of disaggregated sub-models to estimate reliability of predictions and reduce the associated uncertainty. Results predict a theoretical energy potential of 0.744 EJ and a technical potential of 0.059 EJ in 2010, which might account for 1.2% of the annual primary energy production (4.93 EJ)

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

International Nuclear Information System (INIS)

Kolb, Brian; Zhao, Bin; Guo, Hua; Li, Jun; Jiang, Bin

2016-01-01

The applicability and accuracy of the Behler-Parrinello atomistic neural network method for fitting reactive potential energy surfaces is critically examined in three systems, H + H 2 → H 2 + H, H + H 2 O → H 2 + OH, and H + CH 4 → H 2 + CH 3 . A pragmatic Monte Carlo method is proposed to make efficient choice of the atom-centered mapping functions. The accuracy of the potential energy surfaces is not only tested by fitting errors but also validated by direct comparison in dynamically important regions and by quantum scattering calculations. Our results suggest this method is both accurate and efficient in representing multidimensional potential energy surfaces even when dissociation continua are involved.

Novel hybrid Monte Carlo/deterministic technique for shutdown dose rate analyses of fusion energy systems

International Nuclear Information System (INIS)

Ibrahim, Ahmad M.; Peplow, Douglas E.; Peterson, Joshua L.; Grove, Robert E.

2014-01-01

Highlights: •Develop the novel Multi-Step CADIS (MS-CADIS) hybrid Monte Carlo/deterministic method for multi-step shielding analyses. •Accurately calculate shutdown dose rates using full-scale Monte Carlo models of fusion energy systems. •Demonstrate the dramatic efficiency improvement of the MS-CADIS method for the rigorous two step calculations of the shutdown dose rate in fusion reactors. -- Abstract: The rigorous 2-step (R2S) computational system uses three-dimensional Monte Carlo transport simulations to calculate the shutdown dose rate (SDDR) in fusion reactors. Accurate full-scale R2S calculations are impractical in fusion reactors because they require calculating space- and energy-dependent neutron fluxes everywhere inside the reactor. The use of global Monte Carlo variance reduction techniques was suggested for accelerating the R2S neutron transport calculation. However, the prohibitive computational costs of these approaches, which increase with the problem size and amount of shielding materials, inhibit their ability to accurately predict the SDDR in fusion energy systems using full-scale modeling of an entire fusion plant. This paper describes a novel hybrid Monte Carlo/deterministic methodology that uses the Consistent Adjoint Driven Importance Sampling (CADIS) method but focuses on multi-step shielding calculations. The Multi-Step CADIS (MS-CADIS) methodology speeds up the R2S neutron Monte Carlo calculation using an importance function that represents the neutron importance to the final SDDR. Using a simplified example, preliminary results showed that the use of MS-CADIS enhanced the efficiency of the neutron Monte Carlo simulation of an SDDR calculation by a factor of 550 compared to standard global variance reduction techniques, and that the efficiency enhancement compared to analog Monte Carlo is higher than a factor of 10,000

VIM: a continuous energy Monte Carlo code at ANL

International Nuclear Information System (INIS)

Blomquist, R.N.; Lell, R.M.; Gelbard, E.M.

1980-01-01

The continuous-energy Monte Carlo neutron transport code VIM and its auxiliaries are briefly described. The ENDF/B cross section data processing procedure is summarized and its benchmarking against MC 2 -2 is reviewed. Several representative applications at ANL are described, including fast critical assembly benchmark calculations and STF and TREAT Upgrade benchmark calculations. 2 figures

Monte Carlo Treatment Planning for Advanced Radiotherapy

DEFF Research Database (Denmark)

Cronholm, Rickard

This Ph.d. project describes the development of a workflow for Monte Carlo Treatment Planning for clinical radiotherapy plans. The workflow may be utilized to perform an independent dose verification of treatment plans. Modern radiotherapy treatment delivery is often conducted by dynamically...... modulating the intensity of the field during the irradiation. The workflow described has the potential to fully model the dynamic delivery, including gantry rotation during irradiation, of modern radiotherapy. Three corner stones of Monte Carlo Treatment Planning are identified: Building, commissioning...... and validation of a Monte Carlo model of a medical linear accelerator (i), converting a CT scan of a patient to a Monte Carlo compliant phantom (ii) and translating the treatment plan parameters (including beam energy, angles of incidence, collimator settings etc) to a Monte Carlo input file (iii). A protocol...

Kinetic energy of solid and liquid para-hydrogen: a path integral Monte Carlo simulation

International Nuclear Information System (INIS)

Zoppi, M.; Neumann, M.

1992-01-01

The translational (center of mass) kinetic energy of solid and liquid para-hydrogen have been recently measured by means of Deep Inelastic Neutron Scattering. We have evaluated the same quantity, in similar thermodynamic conditions, by means of Path Integral Monte Carlo computer simulation, modelling the system as composed of a set of spherical molecules interacting through a pairwise additive Lennard-Jones potential. In spite of the crude approximations on the interaction potential, the agreement is excellent. The pressure was also computed by means of the same simulations. This quantity, compared with the equation of state for solid para-hydrogen given by Driessen and Silvera, gives an agreement of a lesser quality and a negative value for the liquid state. We attribute this discrepancy to the limitations of the Lennard-Jones potential. (orig.)

Monte Carlo simulation of nuclear energy study (II). Annual report on Nuclear Code Evaluation Committee

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.)

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

Energy Technology Data Exchange (ETDEWEB)

Kolb, Brian [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Zhao, Bin; Guo, Hua, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331 (China); Jiang, Bin [Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-06-14

The applicability and accuracy of the Behler-Parrinello atomistic neural network method for fitting reactive potential energy surfaces is critically examined in three systems, H + H{sub 2} → H{sub 2} + H, H + H{sub 2}O → H{sub 2} + OH, and H + CH{sub 4} → H{sub 2} + CH{sub 3}. A pragmatic Monte Carlo method is proposed to make efficient choice of the atom-centered mapping functions. The accuracy of the potential energy surfaces is not only tested by fitting errors but also validated by direct comparison in dynamically important regions and by quantum scattering calculations. Our results suggest this method is both accurate and efficient in representing multidimensional potential energy surfaces even when dissociation continua are involved.

General purpose dynamic Monte Carlo with continuous energy for transient analysis

Energy Technology Data Exchange (ETDEWEB)

Sjenitzer, B. L.; Hoogenboom, J. E. [Delft Univ. of Technology, Dept. of Radiation, Radionuclide and Reactors, Mekelweg 15, 2629JB Delft (Netherlands)

2012-07-01

For safety assessments transient analysis is an important tool. It can predict maximum temperatures during regular reactor operation or during an accident scenario. Despite the fact that this kind of analysis is very important, the state of the art still uses rather crude methods, like diffusion theory and point-kinetics. For reference calculations it is preferable to use the Monte Carlo method. In this paper the dynamic Monte Carlo method is implemented in the general purpose Monte Carlo code Tripoli4. Also, the method is extended for use with continuous energy. The first results of Dynamic Tripoli demonstrate that this kind of calculation is indeed accurate and the results are achieved in a reasonable amount of time. With the method implemented in Tripoli it is now possible to do an exact transient calculation in arbitrary geometry. (authors)

MC 93 - Proceedings of the International Conference on Monte Carlo Simulation in High Energy and Nuclear Physics

Science.gov (United States)

Dragovitsch, Peter; Linn, Stephan L.; Burbank, Mimi

1994-01-01

The Table of Contents for the book is as follows: * Preface * Heavy Fragment Production for Hadronic Cascade Codes * Monte Carlo Simulations of Space Radiation Environments * Merging Parton Showers with Higher Order QCD Monte Carlos * An Order-αs Two-Photon Background Study for the Intermediate Mass Higgs Boson * GEANT Simulation of Hall C Detector at CEBAF * Monte Carlo Simulations in Radioecology: Chernobyl Experience * UNIMOD2: Monte Carlo Code for Simulation of High Energy Physics Experiments; Some Special Features * Geometrical Efficiency Analysis for the Gamma-Neutron and Gamma-Proton Reactions * GISMO: An Object-Oriented Approach to Particle Transport and Detector Modeling * Role of MPP Granularity in Optimizing Monte Carlo Programming * Status and Future Trends of the GEANT System * The Binary Sectioning Geometry for Monte Carlo Detector Simulation * A Combined HETC-FLUKA Intranuclear Cascade Event Generator * The HARP Nucleon Polarimeter * Simulation and Data Analysis Software for CLAS * TRAP -- An Optical Ray Tracing Program * Solutions of Inverse and Optimization Problems in High Energy and Nuclear Physics Using Inverse Monte Carlo * FLUKA: Hadronic Benchmarks and Applications * Electron-Photon Transport: Always so Good as We Think? Experience with FLUKA * Simulation of Nuclear Effects in High Energy Hadron-Nucleus Collisions * Monte Carlo Simulations of Medium Energy Detectors at COSY Jülich * Complex-Valued Monte Carlo Method and Path Integrals in the Quantum Theory of Localization in Disordered Systems of Scatterers * Radiation Levels at the SSCL Experimental Halls as Obtained Using the CLOR89 Code System * Overview of Matrix Element Methods in Event Generation * Fast Electromagnetic Showers * GEANT Simulation of the RMC Detector at TRIUMF and Neutrino Beams for KAON * Event Display for the CLAS Detector * Monte Carlo Simulation of High Energy Electrons in Toroidal Geometry * GEANT 3.14 vs. EGS4: A Comparison Using the DØ Uranium/Liquid Argon

Continuous energy Neutron Transport Monte Carlo Simulator Project: Decomposition of the neutron energy spectrum by target nuclei tagging

Energy Technology Data Exchange (ETDEWEB)

Barcellos, Luiz Felipe F.C.; Bodmann, Bardo E.J.; Vilhena, Marco T.M.B., E-mail: luizfelipe.fcb@gmail.com, E-mail: bardo.bodmann@ufrgs.br, E-mail: mtmbvilhena@gmail.com [Universidade Federal do Rio Grande do Sul (UFRGS), Porto Alegre, RS (Brazil). Grupo de Estudos Nucleares; Leite, Sergio Q. Bogado, E-mail: sbogado@ibest.com.br [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil)

2017-07-01

In this work a Monte Carlo simulator with continuous energy is used. This simulator distinguishes itself by using the sum of three probability distributions to represent the neutron spectrum. Two distributions have known shape, but have varying population of neutrons in time, and these are the fission neutron spectrum (for high energy neutrons) and the Maxwell-Boltzmann distribution (for thermal neutrons). The third distribution has an a priori unknown and possibly variable shape with time and is determined from parametrizations of Monte Carlo simulation. It is common practice in neutron transport calculations, e.g. multi-group transport, to consider that the neutrons only lose energy with each scattering reaction and then to use a thermal group with a Maxwellian distribution. Such an approximation is valid due to the fact that for fast neutrons up-scattering occurrence is irrelevant, being only appreciable at low energies, i.e. in the thermal energy region, in which it can be regarded as a Maxwell-Boltzmann distribution for thermal equilibrium. In this work the possible neutron-matter interactions are simulated with exception of the up-scattering of neutrons. In order to preserve the thermal spectrum, neutrons are selected stochastically as being part of the thermal population and have an energy attributed to them taken from a Maxwellian distribution. It is then shown how this procedure can emulate the up-scattering effect by the increase in the neutron population kinetic energy. Since the simulator uses tags to identify the reactions it is possible not only to plot the distributions by neutron energy, but also by the type of interaction with matter and with the identification of the target nuclei involved in the process. This work contains some preliminary results obtained from a Monte Carlo simulator for neutron transport that is being developed at Federal University of Rio Grande do Sul. (author)

Energy deposition evaluation for ultra-low energy electron beam irradiation systems using calibrated thin radiochromic film and Monte Carlo simulations

Energy Technology Data Exchange (ETDEWEB)

Matsui, S., E-mail: smatsui@gpi.ac.jp; Mori, Y. [The Graduate School for the Creation of New Photonics Industries, 1955-1 Kurematsucho, Nishiku, Hamamatsu, Shizuoka 431-1202 (Japan); Nonaka, T.; Hattori, T.; Kasamatsu, Y.; Haraguchi, D.; Watanabe, Y.; Uchiyama, K.; Ishikawa, M. [Hamamatsu Photonics K.K. Electron Tube Division, 314-5 Shimokanzo, Iwata, Shizuoka 438-0193 (Japan)

2016-05-15

For evaluation of on-site dosimetry and process design in industrial use of ultra-low energy electron beam (ULEB) processes, we evaluate the energy deposition using a thin radiochromic film and a Monte Carlo simulation. The response of film dosimeter was calibrated using a high energy electron beam with an acceleration voltage of 2 MV and alanine dosimeters with uncertainty of 11% at coverage factor 2. Using this response function, the results of absorbed dose measurements for ULEB were evaluated from 10 kGy to 100 kGy as a relative dose. The deviation between the responses of deposit energy on the films and Monte Carlo simulations was within 15%. As far as this limitation, relative dose estimation using thin film dosimeters with response function obtained by high energy electron irradiation and simulation results is effective for ULEB irradiation processes management.

Applicability of the condensed-random-walk Monte Carlo method at low energies in high-Z materials

International Nuclear Information System (INIS)

Berger, Martin J.

1998-01-01

The predictions of several Monte Carlo codes were compared with each other and with experimental results pertaining to the penetration of through gold foils of electrons incident with energies from 128 to 8 keV. The main purpose was to demonstrate that reflection and transmission coefficients, for number and energy, can be estimated reliably with a simple Monte Carlo code based on the condensed-random-walk and continuous-slowing-down approximations

Microscopic distribution functions, structure, and kinetic energy of liquid and solid neon: Quantum Monte Carlo simulations

International Nuclear Information System (INIS)

Neumann, Martin; Zoppi, Marco

2002-01-01

We have performed extensive path integral Monte Carlo simulations of liquid and solid neon, in order to derive the kinetic energy as well as the single-particle and pair distribution functions of neon atoms in the condensed phases. From the single-particle distribution function n(r) one can derive the momentum distribution and thus obtain an independent estimate of the kinetic energy. The simulations have been carried out using mostly the semiempirical HFD-C2 pair potential by Aziz et al. [R. A. Aziz, W. J. Meath, and A. R. Allnatt, Chem. Phys. 79, 295 (1983)], but, in a few cases, we have also used the Lennard-Jones potential. The differences between the potentials, as measured by the properties investigated, are not very large, especially when compared with the actual precision of the experimental data. The simulation results have been compared with all the experimental information that is available from neutron scattering. The overall agreement with the experiments is very good

PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique.

Science.gov (United States)

Borrelli, Kenneth W; Vitalis, Andreas; Alcantara, Raul; Guallar, Victor

2005-11-01

Combining protein structure prediction algorithms and Metropolis Monte Carlo techniques, we provide a novel method to explore all-atom energy landscapes. The core of the technique is based on a steered localized perturbation followed by side-chain sampling as well as minimization cycles. The algorithm and its application to ligand diffusion are presented here. Ligand exit pathways are successfully modeled for different systems containing ligands of various sizes:  carbon monoxide in myoglobin, camphor in cytochrome P450cam, and palmitic acid in the intestinal fatty-acid-binding protein. These initial applications reveal the potential of this new technique in mapping millisecond-time-scale processes. The computational cost associated with the exploration is significantly less than that of conventional MD simulations.

Study of the validity of a combined potential model using the Hybrid Reverse Monte Carlo method in Fluoride glass system

Directory of Open Access Journals (Sweden)

M. Kotbi

2013-03-01

Full Text Available The choice of appropriate interaction models is among the major disadvantages of conventional methods such as Molecular Dynamics (MD and Monte Carlo (MC simulations. On the other hand, the so-called Reverse Monte Carlo (RMC method, based on experimental data, can be applied without any interatomic and/or intermolecular interactions. The RMC results are accompanied by artificial satellite peaks. To remedy this problem, we use an extension of the RMC algorithm, which introduces an energy penalty term into the acceptance criteria. This method is referred to as the Hybrid Reverse Monte Carlo (HRMC method. The idea of this paper is to test the validity of a combined potential model of coulomb and Lennard-Jones in a Fluoride glass system BaMnMF7 (M = Fe,V using HRMC method. The results show a good agreement between experimental and calculated characteristics, as well as a meaningful improvement in partial pair distribution functions (PDFs. We suggest that this model should be used in calculating the structural properties and in describing the average correlations between components of fluoride glass or a similar system. We also suggest that HRMC could be useful as a tool for testing the interaction potential models, as well as for conventional applications.

Monte Carlo simulation on nuclear energy study. Annual report of Nuclear Code Evaluation Committee

International Nuclear Information System (INIS)

Sakurai, Kiyoshi; Yamamoto, Toshihiro

1999-03-01

In this report, research results discussed in 1998 fiscal year at Nuclear Code Evaluation Special Committee of Nuclear Code Committee were summarised. Present status of Monte Carlo calculation in high energy region investigated / discussed at Monte Carlo simulation working-group and automatic compilation system for MCNP cross sections developed at MCNP high temperature library compilation working-group were described. The 6 papers are indexed individually. (J.P.N.)

Monte Carlo calculation of the energy deposited in the KASCADE GRANDE detectors

International Nuclear Information System (INIS)

Mihai, Constantin

2004-01-01

The energy deposited by protons, electrons and positrons in the KASCADE GRANDE detectors is calculated with a simple and fast Monte Carlo method. The KASCADE GRANDE experiment (Forschungszentrum Karlsruhe, Germany), based on an array of plastic scintillation detectors, has the aim to study the energy spectrum of the primary cosmic rays around and above the 'knee' region of the spectrum. The reconstruction of the primary spectrum is achieved by comparing the data collected by the detectors with simulations of the development of the extensive air shower initiated by the primary particle combined with detailed simulations of the detector response. The simulation of the air shower development is carried out with the CORSIKA Monte Carlo code. The output file produced by CORSIKA is further processed with a program that estimates the energy deposited in the detectors by the particles of the shower. The standard method to calculate the energy deposit in the detectors is based on the Geant package from the CERN library. A new method that calculates the energy deposit by fitting the Geant based distributions with simpler functions is proposed in this work. In comparison with the method based on the Geant package this method is substantially faster. The time saving is important because the number of particles involved is large. (author)

Communication: A new ab initio potential energy surface for HCl-H2O, diffusion Monte Carlo calculations of D0 and a delocalized zero-point wavefunction.

Science.gov (United States)

Mancini, John S; Bowman, Joel M

2013-03-28

We report a global, full-dimensional, ab initio potential energy surface describing the HCl-H2O dimer. The potential is constructed from a permutationally invariant fit, using Morse-like variables, to over 44,000 CCSD(T)-F12b∕aug-cc-pVTZ energies. The surface describes the complex and dissociated monomers with a total RMS fitting error of 24 cm(-1). The normal modes of the minima, low-energy saddle point and separated monomers, the double minimum isomerization pathway and electronic dissociation energy are accurately described by the surface. Rigorous quantum mechanical diffusion Monte Carlo (DMC) calculations are performed to determine the zero-point energy and wavefunction of the complex and the separated fragments. The calculated zero-point energies together with a De value calculated from CCSD(T) with a complete basis set extrapolation gives a D0 value of 1348 ± 3 cm(-1), in good agreement with the recent experimentally reported value of 1334 ± 10 cm(-1) [B. E. Casterline, A. K. Mollner, L. C. Ch'ng, and H. Reisler, J. Phys. Chem. A 114, 9774 (2010)]. Examination of the DMC wavefunction allows for confident characterization of the zero-point geometry to be dominant at the C(2v) double-well saddle point and not the C(s) global minimum. Additional support for the delocalized zero-point geometry is given by numerical solutions to the 1D Schrödinger equation along the imaginary-frequency out-of-plane bending mode, where the zero-point energy is calculated to be 52 cm(-1) above the isomerization barrier. The D0 of the fully deuterated isotopologue is calculated to be 1476 ± 3 cm(-1), which we hope will stand as a benchmark for future experimental work.

Boiling point determination using adiabatic Gibbs ensemble Monte Carlo simulations: application to metals described by embedded-atom potentials.

Science.gov (United States)

Gelb, Lev D; Chakraborty, Somendra Nath

2011-12-14

The normal boiling points are obtained for a series of metals as described by the "quantum-corrected Sutton Chen" (qSC) potentials [S.-N. Luo, T. J. Ahrens, T. Çağın, A. Strachan, W. A. Goddard III, and D. C. Swift, Phys. Rev. B 68, 134206 (2003)]. Instead of conventional Monte Carlo simulations in an isothermal or expanded ensemble, simulations were done in the constant-NPH adabatic variant of the Gibbs ensemble technique as proposed by Kristóf and Liszi [Chem. Phys. Lett. 261, 620 (1996)]. This simulation technique is shown to be a precise tool for direct calculation of boiling temperatures in high-boiling fluids, with results that are almost completely insensitive to system size or other arbitrary parameters as long as the potential truncation is handled correctly. Results obtained were validated using conventional NVT-Gibbs ensemble Monte Carlo simulations. The qSC predictions for boiling temperatures are found to be reasonably accurate, but substantially underestimate the enthalpies of vaporization in all cases. This appears to be largely due to the systematic overestimation of dimer binding energies by this family of potentials, which leads to an unsatisfactory description of the vapor phase. © 2011 American Institute of Physics

Potential-Decomposition Strategy in Markov Chain Monte Carlo Sampling Algorithms

International Nuclear Information System (INIS)

Shangguan Danhua; Bao Jingdong

2010-01-01

We introduce the potential-decomposition strategy (PDS), which can he used in Markov chain Monte Carlo sampling algorithms. PDS can be designed to make particles move in a modified potential that favors diffusion in phase space, then, by rejecting some trial samples, the target distributions can be sampled in an unbiased manner. Furthermore, if the accepted trial samples are insufficient, they can be recycled as initial states to form more unbiased samples. This strategy can greatly improve efficiency when the original potential has multiple metastable states separated by large barriers. We apply PDS to the 2d Ising model and a double-well potential model with a large barrier, demonstrating in these two representative examples that convergence is accelerated by orders of magnitude.

Monte Carlo calculations of neutron and gamm-ray energy spectra for fusion-reactor shield design: comparison with experiment

International Nuclear Information System (INIS)

Santoro, R.T.; Barnes, J.M.

1983-08-01

Neutron and gamma-ray spectra resulting from the interactions of approx. 14-MeV neutrons in laminated slabs of stainless steel type-304 and borated polyethylene have been calculated using the Monte Carlo code MCNP. The calculated spectra are compared with measured data as a function of slab thickness and material composition and as a function of detector location behind the slabs. Comparisons of the differential energy spectra are made for neutrons with energies above 850 keV and for gamma rays with energies above 750 keV. The measured neutron spectra and those calculated using Monte Carlo methods agree within 5% to 50% depending on the slab thickness and composition and neutron energy. The agreement between the measured and calculated gamma-ray energy spectra is also within this range. The MCNP data are also in favorable agreement with attenuated data calculated previously by discrete ordinates transport methods and the Monte Carlo code SAM-CE

New sampling method in continuous energy Monte Carlo calculation for pebble bed reactors

International Nuclear Information System (INIS)

Murata, Isao; Takahashi, Akito; Mori, Takamasa; Nakagawa, Masayuki.

1997-01-01

A pebble bed reactor generally has double heterogeneity consisting of two kinds of spherical fuel element. In the core, there exist many fuel balls piled up randomly in a high packing fraction. And each fuel ball contains a lot of small fuel particles which are also distributed randomly. In this study, to realize precise neutron transport calculation of such reactors with the continuous energy Monte Carlo method, a new sampling method has been developed. The new method has been implemented in the general purpose Monte Carlo code MCNP to develop a modified version MCNP-BALL. This method was validated by calculating inventory of spherical fuel elements arranged successively by sampling during transport calculation and also by performing criticality calculations in ordered packing models. From the results, it was confirmed that the inventory of spherical fuel elements could be reproduced using MCNP-BALL within a sufficient accuracy of 0.2%. And the comparison of criticality calculations in ordered packing models between MCNP-BALL and the reference method shows excellent agreement in neutron spectrum as well as multiplication factor. MCNP-BALL enables us to analyze pebble bed type cores such as PROTEUS precisely with the continuous energy Monte Carlo method. (author)

Full-dimensional quantum calculations of the dissociation energy, zero-point, and 10 K properties of H7+/D7+ clusters using an ab initio potential energy surface.

Science.gov (United States)

Barragán, Patricia; Pérez de Tudela, Ricardo; Qu, Chen; Prosmiti, Rita; Bowman, Joel M

2013-07-14

Diffusion Monte Carlo (DMC) and path-integral Monte Carlo computations of the vibrational ground state and 10 K equilibrium state properties of the H7 (+)/D7 (+) cations are presented, using an ab initio full-dimensional potential energy surface. The DMC zero-point energies of dissociated fragments H5 (+)(D5 (+))+H2(D2) are also calculated and from these results and the electronic dissociation energy, dissociation energies, D0, of 752 ± 15 and 980 ± 14 cm(-1) are reported for H7 (+) and D7 (+), respectively. Due to the known error in the electronic dissociation energy of the potential surface, these quantities are underestimated by roughly 65 cm(-1). These values are rigorously determined for first time, and compared with previous theoretical estimates from electronic structure calculations using standard harmonic analysis, and available experimental measurements. Probability density distributions are also computed for the ground vibrational and 10 K state of H7 (+) and D7 (+). These are qualitatively described as a central H3 (+)/D3 (+) core surrounded by "solvent" H2/D2 molecules that nearly freely rotate.

Monte Carlo electron-transport calculations for clinical beams using energy grouping

Energy Technology Data Exchange (ETDEWEB)

Teng, S P; Anderson, D W; Lindstrom, D G

1986-01-01

A Monte Carlo program has been utilized to study the penetration of broad electron beams into a water phantom. The MORSE-E code, originally developed for neutron and photon transport, was chosen for adaptation to electrons because of its versatility. The electron energy degradation model employed logarithmic spacing of electron energy groups and included effects of elastic scattering, inelastic-moderate-energy-loss-processes and inelastic-large-energy-loss-processes (catastrophic). Energy straggling and angular deflections were modeled from group to group, using the Moeller cross section for energy loss, and Goudsmit-Saunderson theory to describe angular deflections. The resulting energy- and electron-deposition distributions in depth were obtained at 10 and 20 MeV and are compared with ETRAN results and broad beam experimental data from clinical accelerators.

Monte Carlo-based investigation of water-equivalence of solid phantoms at 137Cs energy

International Nuclear Information System (INIS)

Vishwakarma, Ramkrushna S.; Palani Selvam, T.; Sahoo, Sridhar; Mishra, Subhalaxmi; Chourasiya, Ghanshyam

2013-01-01

Investigation of solid phantom materials such as solid water, virtual water, plastic water, RW1, polystyrene, and polymethylmethacrylate (PMMA) for their equivalence to liquid water at 137 Cs energy (photon energy of 662 keV) under full scatter conditions is carried out using the EGSnrc Monte Carlo code system. Monte Carlo-based EGSnrc code system was used in the work to calculate distance-dependent phantom scatter corrections. The study also includes separation of primary and scattered dose components. Monte Carlo simulations are carried out using primary particle histories up to 5 x 10 9 to attain less than 0.3% statistical uncertainties in the estimation of dose. Water equivalence of various solid phantoms such as solid water, virtual water, RW1, PMMA, polystyrene, and plastic water materials are investigated at 137 Cs energy under full scatter conditions. The investigation reveals that solid water, virtual water, and RW1 phantoms are water equivalent up to 15 cm from the source. Phantom materials such as plastic water, PMMA, and polystyrene phantom materials are water equivalent up to 10 cm. At 15 cm from the source, the phantom scatter corrections are 1.035, 1.050, and 0.949 for the phantoms PMMA, plastic water, and polystyrene, respectively. (author)

Monte Carlo event generator MCMHA for high energy hadron-nucleus collisions and intranuclear cascade interactions

International Nuclear Information System (INIS)

Iga, Y.; Hamatsu, R.; Yamazaki, S.

1988-01-01

The Monte Carlo event generator for high energy hadron-nucleus (h-A) collisions has been developed which is based on the multi-chain model. The concept of formation zone and the cascade interactions of secondary particles are properly taken into account in this Monte Carlo code. Comparing the results of this code with experimental data, the importance of intranuclear cascade interactions becomes very clear. (orig.)

Kinetic Monte Carlo model of defect transport and irradiation effects in La-doped CeO2

International Nuclear Information System (INIS)

Oaks, Aaron; Yun Di; Ye Bei; Chen Weiying; Stubbins, James F.

2011-01-01

A generalized Kinetic Monte Carlo code was developed to study oxygen mobility in UO 2 type nuclear fuels, using lanthanum doped CeO 2 as a surrogate material. Molecular Statics simulations were performed using interatomic potentials for CeO 2 developed by Gotte, Minervini, and Sayle to calculate local configuration-dependent oxygen vacancy migration energies. Kinetic Monte Carlo simulations of oxygen vacancy diffusion were performed at varying lanthanum dopant concentrations using the developed generalized Kinetic Monte Carlo code and the calculated configuration-dependent migration energies. All three interatomic potentials were found to confirm the lanthanum trapping effect. The results of these simulations were compared with experimental data and the Gotte potential was concluded to yield the most realistic diffusivity curve.

Energy imparted to water slabs by photons in the energy range 5-300 keV. Calculations using a Monte Carlo photon transport model

International Nuclear Information System (INIS)

Persliden, J.; Carlsson, G.A.

1984-01-01

In diagnostic examinations of the trunk and head, the energy imparted to the patient is related to the radiation risk. In this work, the energy imparted to laterally infinite, 10-300 mm thick water slabs by 5-300 keV photons is calculated using a Monte Carlo photon transport model. The energy imparted is also derived for energy spectra of primary photons relevant to diagnostic radiology. In addition to values of energy imparted, values of backscattered and transmitted energies, quantities primarily obtained in the transport calculations, are reported. Assumptions about coherent scattering are shown to be important for values of backscattered and transmitted energies but unimportant with respect to values of energy imparted. Comparisons are made with other Monte Carlo results from the literature. Discrepancies of 10-20% in some calculated quantities can be traced back to the use of different tabulations of interaction cross-sections by various authors. (author)

Benchmarking of Monte Carlo simulation of bremsstrahlung from thick targets at radiotherapy energies

International Nuclear Information System (INIS)

Faddegon, Bruce A.; Asai, Makoto; Perl, Joseph; Ross, Carl; Sempau, Josep; Tinslay, Jane; Salvat, Francesc

2008-01-01

Several Monte Carlo systems were benchmarked against published measurements of bremsstrahlung yield from thick targets for 10-30 MV beams. The quantity measured was photon fluence at 1 m per unit energy per incident electron (spectra), and total photon fluence, integrated over energy, per incident electron (photon yield). Results were reported at 10-30 MV on the beam axis for Al and Pb targets and at 15 MV at angles out to 90 degree sign for Be, Al, and Pb targets. Beam energy was revised with improved accuracy of 0.5% using an improved energy calibration of the accelerator. Recently released versions of the Monte Carlo systems EGSNRC, GEANT4, and PENELOPE were benchmarked against the published measurements using the revised beam energies. Monte Carlo simulation was capable of calculation of photon yield in the experimental geometry to 5% out to 30 degree sign , 10% at wider angles, and photon spectra to 10% at intermediate photon energies, 15% at lower energies. Accuracy of measured photon yield from 0 to 30 degree sign was 5%, 1 s.d., increasing to 7% for the larger angles. EGSNRC and PENELOPE results were within 2 s.d. of the measured photon yield at all beam energies and angles, GEANT4 within 3 s.d. Photon yield at nonzero angles for angles covering conventional field sizes used in radiotherapy (out to 10 degree sign ), measured with an accuracy of 3%, was calculated within 1 s.d. of measurement for EGSNRC, 2 s.d. for PENELOPE and GEANT4. Calculated spectra closely matched measurement at photon energies over 5 MeV. Photon spectra near 5 MeV were underestimated by as much as 10% by all three codes. The photon spectra below 2-3 MeV for the Be and Al targets and small angles were overestimated by up to 15% when using EGSNRC and PENELOPE, 20% with GEANT4. EGSNRC results with the NIST option for the bremsstrahlung cross section were preferred over the alternative cross section available in EGSNRC and over EGS4. GEANT4 results calculated with the ''low energy

Benchmarking of Monte Carlo simulation of bremsstrahlung from thick targets at radiotherapy energies

Energy Technology Data Exchange (ETDEWEB)

Faddegon, Bruce A.; Asai, Makoto; Perl, Joseph; Ross, Carl; Sempau, Josep; Tinslay, Jane; Salvat, Francesc [Department of Radiation Oncology, University of California at San Francisco, San Francisco, California 94143 (United States); Stanford Linear Accelerator Center, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); National Research Council Canada, Institute for National Measurement Standards, 1200 Montreal Road, Building M-36, Ottawa, Ontario K1A 0R6 (Canada); Institut de Tecniques Energetiques, Universitat Politecnica de Catalunya and Centro de Investigacion Biomedica en Red en Bioingenieria, Biomateriales y Nanomedicina (CIBER-BBN), Diagonal 647, 08028 Barcelona (Spain); Stanford Linear Accelerator Center, 2575 Sand Hill Road, Menlo Park, California 94025 (United States); Facultat de Fisica (ECM), Universitat de Barcelona, Societat Catalana de Fisica (IEC), Diagonal 647, 08028 Barcelona (Spain)

2008-10-15

Several Monte Carlo systems were benchmarked against published measurements of bremsstrahlung yield from thick targets for 10-30 MV beams. The quantity measured was photon fluence at 1 m per unit energy per incident electron (spectra), and total photon fluence, integrated over energy, per incident electron (photon yield). Results were reported at 10-30 MV on the beam axis for Al and Pb targets and at 15 MV at angles out to 90 degree sign for Be, Al, and Pb targets. Beam energy was revised with improved accuracy of 0.5% using an improved energy calibration of the accelerator. Recently released versions of the Monte Carlo systems EGSNRC, GEANT4, and PENELOPE were benchmarked against the published measurements using the revised beam energies. Monte Carlo simulation was capable of calculation of photon yield in the experimental geometry to 5% out to 30 degree sign , 10% at wider angles, and photon spectra to 10% at intermediate photon energies, 15% at lower energies. Accuracy of measured photon yield from 0 to 30 degree sign was 5%, 1 s.d., increasing to 7% for the larger angles. EGSNRC and PENELOPE results were within 2 s.d. of the measured photon yield at all beam energies and angles, GEANT4 within 3 s.d. Photon yield at nonzero angles for angles covering conventional field sizes used in radiotherapy (out to 10 degree sign ), measured with an accuracy of 3%, was calculated within 1 s.d. of measurement for EGSNRC, 2 s.d. for PENELOPE and GEANT4. Calculated spectra closely matched measurement at photon energies over 5 MeV. Photon spectra near 5 MeV were underestimated by as much as 10% by all three codes. The photon spectra below 2-3 MeV for the Be and Al targets and small angles were overestimated by up to 15% when using EGSNRC and PENELOPE, 20% with GEANT4. EGSNRC results with the NIST option for the bremsstrahlung cross section were preferred over the alternative cross section available in EGSNRC and over EGS4. GEANT4 results calculated with the &apos

Monte Carlo calculations for intermediate-energy standard neutron field

International Nuclear Information System (INIS)

Joneja, O.P.; Subbukutty, K.; Iyengar, S.B.D.; Navalkar, M.P.

Intermediate-Energy Standard Neutron Field (ISNF) which produces a well characterised spectrum in the energy range of interest for fast reactors including breeders, has been set up at NBS using thin enriched 235 U fission sources. A proposal has been made for setting up a similar facility at BARC using however, easily available natural U instead of enriched U sources, to start with. In order to simulate the neutronics of such a facility Monte Carlo method of calculations has been adopted and developed. The results of these calculations have been compared with those of NBS and it is found that there may be a maximum difference of 10% in spectrum characteristics for the two cases of using thick and thin fission sources. (K.B.)

MCB. A continuous energy Monte Carlo burnup simulation code

International Nuclear Information System (INIS)

Cetnar, J.; Wallenius, J.; Gudowski, W.

1999-01-01

A code for integrated simulation of neutrinos and burnup based upon continuous energy Monte Carlo techniques and transmutation trajectory analysis has been developed. Being especially well suited for studies of nuclear waste transmutation systems, the code is an extension of the well validated MCNP transport program of Los Alamos National Laboratory. Among the advantages of the code (named MCB) is a fully integrated data treatment combined with a time-stepping routine that automatically corrects for burnup dependent changes in reaction rates, neutron multiplication, material composition and self-shielding. Fission product yields are treated as continuous functions of incident neutron energy, using a non-equilibrium thermodynamical model of the fission process. In the present paper a brief description of the code and applied methods are given. (author)

Detailed balance method for chemical potential determination in Monte Carlo and molecular dynamics simulations

International Nuclear Information System (INIS)

Fay, P.J.; Ray, J.R.; Wolf, R.J.

1994-01-01

We present a new, nondestructive, method for determining chemical potentials in Monte Carlo and molecular dynamics simulations. The method estimates a value for the chemical potential such that one has a balance between fictitious successful creation and destruction trials in which the Monte Carlo method is used to determine success or failure of the creation/destruction attempts; we thus call the method a detailed balance method. The method allows one to obtain estimates of the chemical potential for a given species in any closed ensemble simulation; the closed ensemble is paired with a ''natural'' open ensemble for the purpose of obtaining creation and destruction probabilities. We present results for the Lennard-Jones system and also for an embedded atom model of liquid palladium, and compare to previous results in the literature for these two systems. We are able to obtain an accurate estimate of the chemical potential for the Lennard-Jones system at higher densities than reported in the literature

Quasi Monte Carlo methods for optimization models of the energy industry with pricing and load processes; Quasi-Monte Carlo Methoden fuer Optimierungsmodelle der Energiewirtschaft mit Preis- und Last-Prozessen

Energy Technology Data Exchange (ETDEWEB)

Leoevey, H.; Roemisch, W. [Humboldt-Univ., Berlin (Germany)

2015-07-01

We discuss progress in quasi Monte Carlo methods for numerical calculation integrals or expected values and justify why these methods are more efficient than the classic Monte Carlo methods. Quasi Monte Carlo methods are found to be particularly efficient if the integrands have a low effective dimension. That's why We also discuss the concept of effective dimension and prove on the example of a stochastic Optimization model of the energy industry that such models can posses a low effective dimension. Modern quasi Monte Carlo methods are therefore for such models very promising. [German] Wir diskutieren Fortschritte bei Quasi-Monte Carlo Methoden zur numerischen Berechnung von Integralen bzw. Erwartungswerten und begruenden warum diese Methoden effizienter sind als die klassischen Monte Carlo Methoden. Quasi-Monte Carlo Methoden erweisen sich als besonders effizient, falls die Integranden eine geringe effektive Dimension besitzen. Deshalb diskutieren wir auch den Begriff effektive Dimension und weisen am Beispiel eines stochastischen Optimierungsmodell aus der Energiewirtschaft nach, dass solche Modelle eine niedrige effektive Dimension besitzen koennen. Moderne Quasi-Monte Carlo Methoden sind deshalb fuer solche Modelle sehr erfolgversprechend.

Monte carlo study of MOSFET packaging, optimised for improved energy response: single MOSFET filtration.

Science.gov (United States)

Othman, M A R; Cutajar, D L; Hardcastle, N; Guatelli, S; Rosenfeld, A B

2010-09-01

Monte Carlo simulations of the energy response of a conventionally packaged single metal-oxide field effect transistors (MOSFET) detector were performed with the goal of improving MOSFET energy dependence for personal accident or military dosimetry. The MOSFET detector packaging was optimised. Two different 'drop-in' design packages for a single MOSFET detector were modelled and optimised using the GEANT4 Monte Carlo toolkit. Absorbed photon dose simulations of the MOSFET dosemeter placed in free-air response, corresponding to the absorbed doses at depths of 0.07 mm (D(w)(0.07)) and 10 mm (D(w)(10)) in a water equivalent phantom of size 30 x 30 x 30 cm(3) for photon energies of 0.015-2 MeV were performed. Energy dependence was reduced to within + or - 60 % for photon energies 0.06-2 MeV for both D(w)(0.07) and D(w)(10). Variations in the response for photon energies of 15-60 keV were 200 and 330 % for D(w)(0.07) and D(w)(10), respectively. The obtained energy dependence was reduced compared with that for conventionally packaged MOSFET detectors, which usually exhibit a 500-700 % over-response when used in free-air geometry.

Monte Carlo simulations used to calculate the energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy.

Science.gov (United States)

Hocine, Nora; Meignan, Michel; Masset, Hélène

2018-04-01

To better understand the risks of cumulative medical X-ray investigations and the possible causal role of contrast agent on the coronary artery wall, the correlation between iodinated contrast media and the increase of energy deposited in the coronary artery lumen as a function of iodine concentration and photon energy is investigated. The calculations of energy deposition have been performed using Monte Carlo (MC) simulation codes, namely PENetration and Energy LOss of Positrons and Electrons (PENELOPE) and Monte Carlo N-Particle eXtended (MCNPX). Exposure of a cylinder phantom, artery and a metal stent (AISI 316L) to several X-ray photon beams were simulated. For the energies used in cardiac imaging the energy deposited in the coronary artery lumen increases with the quantity of iodine. Monte Carlo calculations indicate a strong dependence of the energy enhancement factor (EEF) on photon energy and iodine concentration. The maximum value of EEF is equal to 25; this factor is showed for 83 keV and for 400 mg Iodine/mL. No significant impact of the stent is observed on the absorbed dose in the artery for incident X-ray beams with mean energies of 44, 48, 52 and 55 keV. A strong correlation was shown between the increase in the concentration of iodine and the energy deposited in the coronary artery lumen for the energies used in cardiac imaging and over the energy range between 44 and 55 keV. The data provided by this study could be useful for creating new medical imaging protocols to obtain better diagnostic information with a lower level of radiation exposure.

Estimation of ex-core detector responses by adjoint Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Hoogenboom, J. E. [Delft Univ. of Technology, Mekelweg 15, 2629 JB Delft (Netherlands)

2006-07-01

Ex-core detector responses can be efficiently calculated by combining an adjoint Monte Carlo calculation with the converged source distribution of a forward Monte Carlo calculation. As the fission source distribution from a Monte Carlo calculation is given only as a collection of discrete space positions, the coupling requires a point flux estimator for each collision in the adjoint calculation. To avoid the infinite variance problems of the point flux estimator, a next-event finite-variance point flux estimator has been applied, witch is an energy dependent form for heterogeneous media of a finite-variance estimator known from the literature. To test the effects of this combined adjoint-forward calculation a simple geometry of a homogeneous core with a reflector was adopted with a small detector in the reflector. To demonstrate the potential of the method the continuous-energy adjoint Monte Carlo technique with anisotropic scattering was implemented with energy dependent absorption and fission cross sections and constant scattering cross section. A gain in efficiency over a completely forward calculation of the detector response was obtained, which is strongly dependent on the specific system and especially the size and position of the ex-core detector and the energy range considered. Further improvements are possible. The method works without problems for small detectors, even for a point detector and a small or even zero energy range. (authors)

Methods for coupling radiation, ion, and electron energies in grey Implicit Monte Carlo

International Nuclear Information System (INIS)

Evans, T.M.; Densmore, J.D.

2007-01-01

We present three methods for extending the Implicit Monte Carlo (IMC) method to treat the time-evolution of coupled radiation, electron, and ion energies. The first method splits the ion and electron coupling and conduction from the standard IMC radiation-transport process. The second method recasts the IMC equations such that part of the coupling is treated during the Monte Carlo calculation. The third method treats all of the coupling and conduction in the Monte Carlo simulation. We apply modified equation analysis (MEA) to simplified forms of each method that neglects the errors in the conduction terms. Through MEA we show that the third method is theoretically the most accurate. We demonstrate the effectiveness of each method on a series of 0-dimensional, nonlinear benchmark problems where the accuracy of the third method is shown to be up to ten times greater than the other coupling methods for selected calculations

Energy-depth relation of electrons in bulk targets by Monte-Carlo calculations

International Nuclear Information System (INIS)

Gaber, M.; Fitting, H.J.

1984-01-01

Monte-Carlo calculations are used to calculate the energy of penetrating electrons as a function of the depth in thick targets of Ti, Fe, Cu, As, In, and Au. It is shown that the mean energy ratio anti E(z)/E 0 decays exponentially with depth z and depends on the backscattering coefficient eta/sub B/ of the bulk material and the maximum range R(E 0 ) of the primary electrons with initial energy E 0 . Thereby a normalized plot anti E/E 0 as a function of the reduced depth z/R becomes possible. (author)

Annealing evolutionary stochastic approximation Monte Carlo for global optimization

KAUST Repository

Liang, Faming

2010-04-08

In this paper, we propose a new algorithm, the so-called annealing evolutionary stochastic approximation Monte Carlo (AESAMC) algorithm as a general optimization technique, and study its convergence. AESAMC possesses a self-adjusting mechanism, whose target distribution can be adapted at each iteration according to the current samples. Thus, AESAMC falls into the class of adaptive Monte Carlo methods. This mechanism also makes AESAMC less trapped by local energy minima than nonadaptive MCMC algorithms. Under mild conditions, we show that AESAMC can converge weakly toward a neighboring set of global minima in the space of energy. AESAMC is tested on multiple optimization problems. The numerical results indicate that AESAMC can potentially outperform simulated annealing, the genetic algorithm, annealing stochastic approximation Monte Carlo, and some other metaheuristics in function optimization. © 2010 Springer Science+Business Media, LLC.

ALICE EMCal Reconstructable Energy Non-Linearity From Test Beam Monte Carlo

CERN Document Server

Carter, Thomas Michael

2017-01-01

Calorimeters play many important roles in modern high energy physics detectors, such as event selection, triggering, and precision energy measurements. EMCal, in the case of the ALICE experiment provides triggering on high energy jets, improves jet quenching study measurement bias and jet energy resolution, and improves electron and photon measurements [3]. With the EMCal detector in the ALICE experiment taking on so many important roles, it is important to fully understand, characterize and model its interactions with particles. In 2010 SPS and PS electron test beam measurements were performed on an EMCal mini-module [2]. Alongside this, the test beam setup and geometry was recreated in Geant4 by Nico [1]. Figure 1 shows the reconstructable energy linearity for the SPS test beam data and that obtained from the test beam monte carlo, indicating the amount of energy deposit as hits in the EMCal module. It can be seen that for energies above ∼ 100 GeV there is a significant drop in the reconstructableenergym...

Collimator and energy window optimization for 90Y bremsstrahlung SPECT imaging: A SIMIND Monte Carlo study

International Nuclear Information System (INIS)

Roshan, Hoda Rezaei; Mahmoudian, Babak; Gharepapagh, Esmaeil; Azarm, Ahmadreza; Pirayesh Islamian, Jalil

2016-01-01

Treatment efficacy of radioembolization using Yttrium-90 ( 90 Y) microspheres is assessed by the 90 Y bremsstrahlung single photon emission computed tomography (SPECT) imaging following radioembolization. The radioisotopic image has the potential of providing reliable activity map of 90 Y microspheres distribution. One of the main reasons of the poor image quality in 90 Y bremsstrahlung SPECT imaging is the continuous and broad energy spectrum of the related bremsstrahlung photons. Furthermore, collimator geometry plays an impressive role in the spatial resolution, sensitivity and image contrast. Due to the relatively poor quality of the 90 Y bremsstrahlung SPECT images, we intend to optimize the medium-energy (ME) parallel-hole collimator and energy window. The Siemens e.cam gamma camera equipped with a ME collimator and a voxelized phantom was simulated by the SImulating Medical Imaging Nuclear Detectors (SIMIND) program. We used the SIMIND Monte Carlo program to generate the 90 Y bremsstrahlung SPECT projection of the digital Jaszczak phantom. The phantom consist of the six hot spheres ranging from 9.5 to 31.8 mm in diameter, which are used to evaluate the image contrast. In order to assess the effect of the energy window on the image contrast, three energy windows ranging from 60 to 160 KeV, 160 to 400 KeV, and 60 to 400 KeV were set on a 90 Y bremsstrahlung spectrum. As well, the effect of the hole diameter of a ME collimator on the image contrast and bremsstrahlung spectrum were investigated. For the fixed collimator and septa thickness values (3.28 cm and 1.14 mm, respectively), a hole diameter range (2.35–3.3 mm) was chosen based on the appropriate balance between the spatial resolution and sensitivity. The optimal energy window for 90 Y bremsstrahlung SPECT imaging was extended energy window from 60 to 400 KeV. Besides, The optimal value of the hole diameter of ME collimator was obtained 3.3 mm. Geometry of the ME parallel-hole collimator and energy

Molecular physics and chemistry applications of quantum Monte Carlo

International Nuclear Information System (INIS)

Reynolds, P.J.; Barnett, R.N.; Hammond, B.L.; Lester, W.A. Jr.

1985-09-01

We discuss recent work with the diffusion quantum Monte Carlo (QMC) method in its application to molecular systems. The formal correspondence of the imaginary time Schroedinger equation to a diffusion equation allows one to calculate quantum mechanical expectation values as Monte Carlo averages over an ensemble of random walks. We report work on atomic and molecular total energies, as well as properties including electron affinities, binding energies, reaction barriers, and moments of the electronic charge distribution. A brief discussion is given on how standard QMC must be modified for calculating properties. Calculated energies and properties are presented for a number of molecular systems, including He, F, F - , H 2 , N, and N 2 . Recent progress in extending the basic QMC approach to the calculation of ''analytic'' (as opposed to finite-difference) derivatives of the energy is presented, together with an H 2 potential-energy curve obtained using analytic derivatives. 39 refs., 1 fig., 2 tabs

Monte Carlo simulations for stereotactic radiotherapy system with various kilo-voltage x-ray energy

International Nuclear Information System (INIS)

Deloar, H.M.; Kunieda, E.; Kawase, T.; Kubo, Atsushi; Saitoh, H.; Myojoyama, A.; Ozaki, M.; Fujisaki, T.; Saito, K.

2005-01-01

Stereotactic radiotherapy (SRT) of lung tumors with a narrow and precise medium energy x-ray beam where the homogeneous high dose area will be confined within the tumors are desirable. A conventional x-ray CT with medium energy x-ray has been modified to develop a radiotherapy system for lung SRT. A cylindrical collimator (0.3 cm φ) made of tungsten was introduced to collimate the X-ray beam. The system was simulated with BEAMnrc(EGS4) Monte Carlo code and various x-ray energy spectra were generated to investigate the dose distributions with our kilo-voltage SRT system. Experiments were performed to acquire the energy spectra of 100, 120 and 135 kVp (kilo-voltage peak) from CT measurements and those results were compared with the spectra obtained from Monte Carlo simulations. Verifications of percentage of dose depth (PDD) for 120 and 147.5 kVp were investigated in a water phantom with experiments and Monte Carlo simulations. Finally dose distributions of 120, 135, 147.5, 200, 250, 300, 350, 400, 500 kVp spectra were investigated with lung phantom and human lung. The Percentage of Depth Dose (PDD) in the water phantom calculated from the experimental and simulated spectra of 120 and 147.5 kVp show good agreement with each other. The PDD of 147.5 and 120 kVp spectra at 9 cm depth was approximately 10% and 9%, respectively. Dose distributions around the lung tumor in the phantom and human for all x-ray energies were almost uniform but in the case of the human lung absorptions of dose at ribs for the energy lower than 135 kVp was more than 35% and those absorptions for the energy spectra of 147.5 kVp and above was less than 30%. This absorption gradually decreases with increasing x-ray energies. Uniform dose distributions in the lung region of human and thorax phantom demonstrated the possibility of SRT system with medium energy X-ray. A detail performance of this system as a kilo-voltage conformal radiotherapy is under investigations. (author)

Monte Carlo calculations of few-body and light nuclei

International Nuclear Information System (INIS)

Wiringa, R.B.

1992-01-01

A major goal in nuclear physics is to understand how nuclear structure comes about from the underlying interactions between nucleons. This requires modelling nuclei as collections of strongly interacting particles. Using realistic nucleon-nucleon potentials, supplemented with consistent three-nucleon potentials and two-body electroweak current operators, variational Monte Carlo methods are used to calculate nuclear ground-state properties, such as the binding energy, electromagnetic form factors, and momentum distributions. Other properties such as excited states and low-energy reactions are also calculable with these methods

Monte carlo calculation of energy deposition and ionization yield for high energy protons

International Nuclear Information System (INIS)

Wilson, W.E.; McDonald, J.C.; Coyne, J.J.; Paretzke, H.G.

1985-01-01

Recent calculations of event size spectra for neutrons use a continuous slowing down approximation model for the energy losses experienced by secondary charged particles (protons and alphas) and thus do not allow for straggling effects. Discrepancies between the calculations and experimental measurements are thought to be, in part, due to the neglect of straggling. A tractable way of including stochastics in radiation transport calculations is via the Monte Carlo method and a number of efforts directed toward simulating positive ion track structure have been initiated employing this technique. Recent results obtained with our updated and extended MOCA code for charged particle track structure are presented here. Major emphasis has been on calculating energy deposition and ionization yield spectra for recoil proton crossers since they are the most prevalent event type at high energies (>99% at 14 MeV) for small volumes. Neutron event-size spectra can be obtained from them by numerical summing and folding techniques. Data for ionization yield spectra are presented for simulated recoil protons up to 20 MeV in sites of diameters 2-1000 nm

Development of a prediction model for the cost saving potentials in implementing the building energy efficiency rating certification

International Nuclear Information System (INIS)

Jeong, Jaewook; Hong, Taehoon; Ji, Changyoon; Kim, Jimin; Lee, Minhyun; Jeong, Kwangbok; Koo, Choongwan

2017-01-01

Highlights: • This study evaluates the building energy efficiency rating (BEER) certification. • Prediction model was developed for cost saving potentials by the BEER certification. • Prediction model was developed using LCC analysis, ROV, and Monte Carlo simulation. • Cost saving potential was predicted to be 2.78–3.77% of the construction cost. • Cost saving potential can be used for estimating the investment value of BEER. - Abstract: Building energy efficiency rating (BEER) certification is an energy performance certificates (EPCs) in South Korea. It is critical to examine the cost saving potentials of the BEER-certification in advance. This study aimed to develop a prediction model for the cost saving potentials in implementing the BEER-certification, in which the cost saving potentials included the energy cost savings of the BEER-certification and the relevant CO_2 emissions reduction as well as the additional construction cost for the BEER-certification. The prediction model was developed by using data mining, life cycle cost analysis, real option valuation, and Monte Carlo simulation. The database were established with 437 multi-family housing complexes (MFHCs), including 116 BEER-certified MFHCs and 321 non-certified MFHCs. The case study was conducted to validate the developed prediction model using 321 non-certified MFHCs, which considered 20-year life cycle. As a result, compared to the additional construction cost, the average cost saving potentials of the 1st-BEER-certified MFHCs in Groups 1, 2, and 3 were predicted to be 3.77%, 2.78%, and 2.87%, respectively. The cost saving potentials can be used as a guideline for the additional construction cost of the BEER-certification in the early design phase.

Diffusion Monte Carlo study on temporal evolution of entropy and free energy in nonequilibrium processes.

Science.gov (United States)

Tanaka, Shigenori

2016-03-07

A computational scheme to describe the temporal evolution of thermodynamic functions in stochastic nonequilibrium processes of isothermal classical systems is proposed on the basis of overdamped Langevin equation under given potential and temperature. In this scheme the associated Fokker-Planck-Smoluchowski equation for the probability density function is transformed into the imaginary-time Schrödinger equation with an effective Hamiltonian. The propagator for the time-dependent wave function is expressed in the framework of the path integral formalism, which can thus represent the dynamical behaviors of nonequilibrium molecular systems such as those conformational changes observed in protein folding and ligand docking. The present study then employs the diffusion Monte Carlo method to efficiently simulate the relaxation dynamics of wave function in terms of random walker distribution, which in the long-time limit reduces to the ground-state eigenfunction corresponding to the equilibrium Boltzmann distribution. Utilizing this classical-quantum correspondence, we can describe the relaxation processes of thermodynamic functions as an approach to the equilibrium state with the lowest free energy. Performing illustrative calculations for some prototypical model potentials, the temporal evolutions of enthalpy, entropy, and free energy of the classical systems are explicitly demonstrated. When the walkers initially start from a localized configuration in one- or two-dimensional harmonic or double well potential, the increase of entropy usually dominates the relaxation dynamics toward the equilibrium state. However, when they start from a broadened initial distribution or go into a steep valley of potential, the dynamics are driven by the decrease of enthalpy, thus causing the decrease of entropy associated with the spatial localization. In the cases of one- and two-dimensional asymmetric double well potentials with two minimal points and an energy barrier between them

Solar Feasibility Study May 2013 - San Carlos Apache Tribe

Energy Technology Data Exchange (ETDEWEB)

Rapp, Jim [Parametrix; Duncan, Ken [San Carlos Apache Tribe; Albert, Steve [Parametrix

2013-05-01

The San Carlos Apache Tribe (Tribe) in the interests of strengthening tribal sovereignty, becoming more energy self-sufficient, and providing improved services and economic opportunities to tribal members and San Carlos Apache Reservation (Reservation) residents and businesses, has explored a variety of options for renewable energy development. The development of renewable energy technologies and generation is consistent with the Tribe’s 2011 Strategic Plan. This Study assessed the possibilities for both commercial-scale and community-scale solar development within the southwestern portions of the Reservation around the communities of San Carlos, Peridot, and Cutter, and in the southeastern Reservation around the community of Bylas. Based on the lack of any commercial-scale electric power transmission between the Reservation and the regional transmission grid, Phase 2 of this Study greatly expanded consideration of community-scale options. Three smaller sites (Point of Pines, Dudleyville/Winkleman, and Seneca Lake) were also evaluated for community-scale solar potential. Three building complexes were identified within the Reservation where the development of site-specific facility-scale solar power would be the most beneficial and cost-effective: Apache Gold Casino/Resort, Tribal College/Skill Center, and the Dudleyville (Winkleman) Casino.

Cosmic rays Monte Carlo simulations for the Extreme Energy Events Project

CERN Document Server

Abbrescia, M; Aiola, S; Antolini, R; Avanzini, C; Baldini Ferroli, R; Bencivenni, G; Bossini, E; Bressan, E; Chiavassa, A; Cicalò, C; Cifarelli, L; Coccia, E; De Gruttola, D; De Pasquale, S; Di Giovanni, A; D'Incecco, M; Dreucci, M; Fabbri, F L; Frolov, V; Garbini, M; Gemme, G; Gnesi, I; Gustavino, C; Hatzifotiadou, D; La Rocca, P; Li, S; Librizzi, F; Maggiora, A; Massai, M; Miozzi, S; Panareo, M; Paoletti, R; Perasso, L; Pilo, F; Piragino, G; Regano, A; Riggi, F; Righini, G C; Sartorelli, G; Scapparone, E; Scribano, A; Selvi, M; Serci, S; Siddi, E; Spandre, G; Squarcia, S; Taiuti, M; Tosello, F; Votano, L; Williams, M C S; Yánez, G; Zichichi, A; Zuyeuski, R

2014-01-01

The Extreme Energy Events Project (EEE Project) is an innovative experiment to study very high energy cosmic rays by means of the detection of the associated air shower muon component. It consists of a network of tracking detectors installed inside Italian High Schools. Each tracking detector, called EEE telescope, is composed of three Multigap Resistive Plate Chambers (MRPCs). At present, 43 telescopes are installed and taking data, opening the way for the detection of far away coincidences over a total area of about 3 × 10 5 km 2 . In this paper we present the Monte Carlo simulations that have been performed to predict the expected coincidence rate between distant EEE telescopes.

Linear-scaling evaluation of the local energy in quantum Monte Carlo

International Nuclear Information System (INIS)

Austin, Brian; Aspuru-Guzik, Alan; Salomon-Ferrer, Romelia; Lester, William A. Jr.

2006-01-01

For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size

On the use of stochastic approximation Monte Carlo for Monte Carlo integration

KAUST Repository

Liang, Faming

2009-03-01

The stochastic approximation Monte Carlo (SAMC) algorithm has recently been proposed as a dynamic optimization algorithm in the literature. In this paper, we show in theory that the samples generated by SAMC can be used for Monte Carlo integration via a dynamically weighted estimator by calling some results from the literature of nonhomogeneous Markov chains. Our numerical results indicate that SAMC can yield significant savings over conventional Monte Carlo algorithms, such as the Metropolis-Hastings algorithm, for the problems for which the energy landscape is rugged. © 2008 Elsevier B.V. All rights reserved.

A reverse Monte Carlo method for deriving optical constants of solids from reflection electron energy-loss spectroscopy spectra

International Nuclear Information System (INIS)

Da, B.; Sun, Y.; Ding, Z. J.; Mao, S. F.; Zhang, Z. M.; Jin, H.; Yoshikawa, H.; Tanuma, S.

2013-01-01

A reverse Monte Carlo (RMC) method is developed to obtain the energy loss function (ELF) and optical constants from a measured reflection electron energy-loss spectroscopy (REELS) spectrum by an iterative Monte Carlo (MC) simulation procedure. The method combines the simulated annealing method, i.e., a Markov chain Monte Carlo (MCMC) sampling of oscillator parameters, surface and bulk excitation weighting factors, and band gap energy, with a conventional MC simulation of electron interaction with solids, which acts as a single step of MCMC sampling in this RMC method. To examine the reliability of this method, we have verified that the output data of the dielectric function are essentially independent of the initial values of the trial parameters, which is a basic property of a MCMC method. The optical constants derived for SiO 2 in the energy loss range of 8-90 eV are in good agreement with other available data, and relevant bulk ELFs are checked by oscillator strength-sum and perfect-screening-sum rules. Our results show that the dielectric function can be obtained by the RMC method even with a wide range of initial trial parameters. The RMC method is thus a general and effective method for determining the optical properties of solids from REELS measurements.

Evaluation of Monte Carlo tools for high energy atmospheric physics

Directory of Open Access Journals (Sweden)

C. Rutjes

2016-11-01

Full Text Available The emerging field of high energy atmospheric physics (HEAP includes terrestrial gamma-ray flashes, electron–positron beams and gamma-ray glows from thunderstorms. Similar emissions of high energy particles occur in pulsed high voltage discharges. Understanding these phenomena requires appropriate models for the interaction of electrons, positrons and photons of up to 40 MeV energy with atmospheric air. In this paper, we benchmark the performance of the Monte Carlo codes Geant4, EGS5 and FLUKA developed in other fields of physics and of the custom-made codes GRRR and MC-PEPTITA against each other within the parameter regime relevant for high energy atmospheric physics. We focus on basic tests, namely on the evolution of monoenergetic and directed beams of electrons, positrons and photons with kinetic energies between 100 keV and 40 MeV through homogeneous air in the absence of electric and magnetic fields, using a low energy cutoff of 50 keV. We discuss important differences between the results of the different codes and provide plausible explanations. We also test the computational performance of the codes. The Supplement contains all results, providing a first benchmark for present and future custom-made codes that are more flexible in including electrodynamic interactions.

Monte Carlo calculations of energy and angular distributions of transmitted and backscattered neutrons of 15 MeV incident energy

International Nuclear Information System (INIS)

Gaber, M.; Faied, A.

1994-01-01

The Monte Carlo technique was used to generate both energy and angular distributions of transmitted and backscattered neutrons incident on infinite graphite slabs of thicknesses ranging from 1-90 cm. Point isotropic and parallel beams of 15 MeV neutrons were used. A computer program was developed to simulate collisions by fast neutrons. (author)

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.

Transport calculation of medium-energy protons and neutrons by Monte Carlo method

International Nuclear Information System (INIS)

Ban, Syuuichi; Hirayama, Hideo; Katoh, Kazuaki.

1978-09-01

A Monte Carlo transport code, ARIES, has been developed for protons and neutrons at medium energy (25 -- 500 MeV). Nuclear data provided by R.G. Alsmiller, Jr. were used for the calculation. To simulate the cascade development in the medium, each generation was represented by a single weighted particle and an average number of emitted particles was used as the weight. Neutron fluxes were stored by the collisions density method. The cutoff energy was set to 25 MeV. Neutrons below the cutoff were stored to be used as the source for the low energy neutron transport calculation upon the discrete ordinates method. Then transport calculations were performed for both low energy neutrons (thermal -- 25 MeV) and secondary gamma-rays. Energy spectra of emitted neutrons were calculated and compared with those of published experimental and calculated results. The agreement was good for the incident particles of energy between 100 and 500 MeV. (author)

Optimization of the energy response of radiographic films by Monte Carlo method

Energy Technology Data Exchange (ETDEWEB)

Moslehi, A. [Physics Department, Faculty of Science, Arak University, Shariati Square, Arak 38156 (Iran, Islamic Republic of); Hamidi, S., E-mail: s-hamidi@araku.ac.i [Physics Department, Faculty of Science, Arak University, Shariati Square, Arak 38156 (Iran, Islamic Republic of); Raisali, G. [Radiation Application Research School, Nuclear Science and Technology Research Institute, Atomic Energy Organization of Iran (Iran, Islamic Republic of); Gheshlaghi, F. [Film Badge Dosimetry Laboratory, National Radiation Protection Department, Iranian Nuclear Regulatory Authority, Atomic Energy Organization of Iran (Iran, Islamic Republic of)

2010-01-15

In the present work a simple model for calculation of the energy response of radiographic films was introduced. According to the model the energy response of a radiographic film is directly proportional to the optical density on the film and thus to the number of developed grains in the emulsion. The model was simulated by Monte Carlo method using MCNP code and the relative energy response of Kodak type 2 film under a few filters of A.E.R.E./R.P.S. film badge was calculated. The simulated responses were in agreement with the experimental data in the region of 30 keV-1.5 MeV. In the next stage a multi-element filter was simulated to optimize the energy response in the above energies. The energy response varied by 25% between 40 keV and 1.5 MeV. So the dose received by the film is equivalent to the desired true dose and there would be no need to the correction factors.

Optimization of the energy response of radiographic films by Monte Carlo method

International Nuclear Information System (INIS)

Moslehi, A.; Hamidi, S.; Raisali, G.; Gheshlaghi, F.

2010-01-01

In the present work a simple model for calculation of the energy response of radiographic films was introduced. According to the model the energy response of a radiographic film is directly proportional to the optical density on the film and thus to the number of developed grains in the emulsion. The model was simulated by Monte Carlo method using MCNP code and the relative energy response of Kodak type 2 film under a few filters of A.E.R.E./R.P.S. film badge was calculated. The simulated responses were in agreement with the experimental data in the region of 30 keV-1.5 MeV. In the next stage a multi-element filter was simulated to optimize the energy response in the above energies. The energy response varied by 25% between 40 keV and 1.5 MeV. So the dose received by the film is equivalent to the desired true dose and there would be no need to the correction factors.

MONTE CARLO CALCULATION OF THE ENERGY RESPONSE OF THE NARF HURST-TYPE FAST- NEUTRON DOSIMETER

Energy Technology Data Exchange (ETDEWEB)

De Vries, T. W.

1963-06-15

The response function for the fast-neutron dosimeter was calculated by the Monte Carlo technique (Code K-52) and compared with a calculation based on the Bragg-Gray principle. The energy deposition spectra so obtained show that the response spectra become softer with increased incident neutron energy ahove 3 Mev. The K-52 calculated total res nu onse is more nearly constant with energy than the BraggGray response. The former increases 70 percent from 1 Mev to 14 Mev while the latter increases 135 percent over this energy range. (auth)

Electron energy and charge albedos - calorimetric measurement vs Monte Carlo theory

International Nuclear Information System (INIS)

Lockwood, G.J.; Ruggles, L.E.; Miller, G.H.; Halbleib, J.A.

1981-11-01

A new calorimetric method has been employed to obtain saturated electron energy albedos for Be, C, Al, Ti, Mo, Ta, U, and UO 2 over the range of incident energies from 0.1 to 1.0 MeV. The technique was so designed to permit the simultaneous measurement of saturated charge albedos. In the cases of C, Al, Ta, and U the measurements were extended down to about 0.025 MeV. The angle of incidence was varied from 0 0 (normal) to 75 0 in steps of 15 0 , with selected measurements at 82.5 0 in Be and C. In each case, state-of-the-art predictions were obtained from a Monte Carlo model. The generally good agreement between theory and experiment over this extensive parameter space represents a strong validation of both the theoretical model and the new experimental method. Nevertheless, certain discrepancies at low incident energies, especially in high-atomic-number materials, and at all energies in the case of the U energy albedos are not completely understood

Assessment of probabilistic distributed factors influencing renewable energy supply for hotels using Monte-Carlo methods

International Nuclear Information System (INIS)

Meschede, Henning; Dunkelberg, Heiko; Stöhr, Fabian; Peesel, Ron-Hendrik; Hesselbach, Jens

2017-01-01

This paper investigates the use of renewable energies to supply hotels in island regions. The aim is to evaluate the effect of weather and occupancy fluctuations on the sensitivity of investment criteria. The sensitivity of the chosen energy system is examined using a Monte Carlo simulation considering stochastic weather data, occupancy rates and energy needs. For this purpose, algorithms based on measured data are developed and applied to a case study on the Canary Islands. The results underline that electricity use in hotels is by far the largest contributor to their overall energy cost. For the invested hotel on the Canary Islands, the optimal share of renewable electricity generation is found to be 63%, split into 67% photovoltaic and 33% wind power. Furthermore, a battery is used to balance the differences between day and night. It is found, that the results are sensitive to weather fluctuations as well as economic parameters to about the same degree. The results underline the risk caused by using reference time series for designing energy systems. The Monte Carlo method helps to define the mean of the annuity more precisely and to rate the risk of fluctuating weather and occupancy better. - Highlights: • An approach to generate synthetic weather data was pointed out. • A methodology to create synthetic energy demand data for hotels was developed. • The influence to the sensitivity of renewable energy systems was analysed. • Fluctuations in weather data have a greater impact on the economy than occupancy.

Quantum Monte Carlo study of the singlet-triplet transition in ethylene

International Nuclear Information System (INIS)

El Akramine, Ouafae; Kollias, Alexander C.; Lester, William A. Jr.

2003-01-01

A theoretical study is reported of the transition between the ground state ( 1 A g ) and the lowest triplet state (1 3 B 1u ) of ethylene based on the diffusion Monte Carlo (DMC) variant of the quantum Monte Carlo method. Using DMC trial functions constructed from Hartree-Fock, complete active space self-consistent field and multi-configuration self-consistent field wave functions, we have computed the atomization energy and the heat of formation of both states, and adiabatic and vertical energy differences between these states using both all-electron and effective core potential DMC. The ground state atomization energy and heat of formation are found to agree with experiment to within the error bounds of the computation and experiment. Predictions by DMC of the triplet state atomization energy and heat of formation are presented. The adiabatic singlet-triplet energy difference is found to differ by 5 kcal/mol from the value obtained in a recent photodissociation experiment

Accuracy estimation for intermediate and low energy neutron transport calculation with Monte Carlo code MCNP

International Nuclear Information System (INIS)

Kotegawa, Hiroshi; Sasamoto, Nobuo; Tanaka, Shun-ichi

1987-02-01

Both ''measured radioactive inventory due to neutron activation in the shield concrete of JPDR'' and ''measured intermediate and low energy neutron spectra penetrating through a graphite sphere'' are analyzed using a continuous energy model Monte Carlo code MCNP so as to estimate calculational accuracy of the code for neutron transport in thermal and epithermal energy regions. Analyses reveal that MCNP calculates thermal neutron spectra fairly accurately, while it apparently over-estimates epithermal neutron spectra (of approximate 1/E distribution) as compared with the measurements. (author)

A Monte Carlo track structure code for low energy protons

CERN Document Server

Endo, S; Nikjoo, H; Uehara, S; Hoshi, M; Ishikawa, M; Shizuma, K

2002-01-01

A code is described for simulation of protons (100 eV to 10 MeV) track structure in water vapor. The code simulates molecular interaction by interaction for the transport of primary ions and secondary electrons in the form of ionizations and excitations. When a low velocity ion collides with the atoms or molecules of a target, the ion may also capture or lose electrons. The probabilities for these processes are described by the quantity cross-section. Although proton track simulation at energies above Bragg peak (>0.3 MeV) has been achieved to a high degree of precision, simulations at energies near or below the Bragg peak have only been attempted recently because of the lack of relevant cross-section data. As the hydrogen atom has a different ionization cross-section from that of a proton, charge exchange processes need to be considered in order to calculate stopping power for low energy protons. In this paper, we have used state-of-the-art Monte Carlo track simulation techniques, in conjunction with the pub...

Comparison of analytical and Monte Carlo calculations of multi-photon effects in bremsstrahlung emission by high-energy electrons

DEFF Research Database (Denmark)

Mangiarotti, Alessio; Sona, Pietro; Ballestrero, Sergio

2012-01-01

Approximate analytical calculations of multi-photon effects in the spectrum of total radiated energy by high-energy electrons crossing thin targets are compared to the results of Monte Carlo type simulations. The limits of validity of the analytical expressions found in the literature are establi...

Speed-Up of the Monte Carlo Method by Using a Physical Model of the Dempster-Shafer Theory

NARCIS (Netherlands)

Resconi, G.; Wal, A.J. van der; Ruan, D.

1998-01-01

By using the Monte Carlo method, we can obtain the minimum value of a function V(r) that is generally associated with the potential energy. In this paper we present a method that makes it possible to speed up the classical Monte Carlo method. The new method is based on the observation that the

Guideline of Monte Carlo calculation. Neutron/gamma ray transport simulation by Monte Carlo method

CERN Document Server

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.

Cumulative percent energy deposition of photon beam incident on different targets, simulated by Monte Carlo

International Nuclear Information System (INIS)

Kandic, A.; Jevremovic, T.; Boreli, F.

1989-01-01

Monte Carlo simulation (without secondary radiation) of the standard photon interactions (Compton scattering, photoelectric absorption and pair protection) for the complex slab's geometry is used in numerical code ACCA. A typical ACCA run will yield: (a) transmission of primary photon radiation differential in energy, (b) the spectrum of energy deposited in the target as a function of position and (c) the cumulative percent energy deposition as a function of position. A cumulative percent energy deposition of photon monoenergetic beam incident on simplest and complexity tissue slab and Fe slab are presented in this paper. (author). 5 refs.; 2 figs

A hybrid Genetic Algorithm and Monte Carlo simulation approach to predict hourly energy consumption and generation by a cluster of Net Zero Energy Buildings

International Nuclear Information System (INIS)

Garshasbi, Samira; Kurnitski, Jarek; Mohammadi, Yousef

2016-01-01

Graphical abstract: The energy consumption and renewable generation in a cluster of NZEBs are modeled by a novel hybrid Genetic Algorithm and Monte Carlo simulation approach and used for the prediction of instantaneous and cumulative net energy balances and hourly amount of energy taken from and supplied to the central energy grid. - Highlights: • Hourly energy consumption and generation by a cluster of NZEBs was simulated. • Genetic Algorithm and Monte Carlo simulation approach were employed. • Dampening effect of energy used by a cluster of buildings was demonstrated. • Hourly amount of energy taken from and supplied to the grid was simulated. • Results showed that NZEB cluster was 63.5% grid dependant on annual bases. - Abstract: Employing a hybrid Genetic Algorithm (GA) and Monte Carlo (MC) simulation approach, energy consumption and renewable energy generation in a cluster of Net Zero Energy Buildings (NZEBs) was thoroughly investigated with hourly simulation. Moreover, the cumulative energy consumption and generation of the whole cluster and each individual building within the simulation space were accurately monitored and reported. The results indicate that the developed simulation algorithm is able to predict the total instantaneous and cumulative amount of energy taken from and supplied to the central energy grid over any time period. During the course of simulation, about 60–100% of total daily generated renewable energy was consumed by NZEBs and up to 40% of that was fed back into the central energy grid as surplus energy. The minimum grid dependency of the cluster was observed in June and July where 11.2% and 9.9% of the required electricity was supplied from the central energy grid, respectively. On the other hand, the NZEB cluster was strongly grid dependant in January and December by importing 70.7% and 76.1% of its required energy demand via the central energy grid, in the order given. Simulation results revealed that the cluster was 63

Quantum Mechanical Single Molecule Partition Function from PathIntegral Monte Carlo Simulations

Energy Technology Data Exchange (ETDEWEB)

Chempath, Shaji; Bell, Alexis T.; Predescu, Cristian

2006-10-01

An algorithm for calculating the partition function of a molecule with the path integral Monte Carlo method is presented. Staged thermodynamic perturbation with respect to a reference harmonic potential is utilized to evaluate the ratio of partition functions. Parallel tempering and a new Monte Carlo estimator for the ratio of partition functions are implemented here to achieve well converged simulations that give an accuracy of 0.04 kcal/mol in the reported free energies. The method is applied to various test systems, including a catalytic system composed of 18 atoms. Absolute free energies calculated by this method lead to corrections as large as 2.6 kcal/mol at 300 K for some of the examples presented.

Evaluation of the Neutron Detector Response for Cosmic Ray Energy Spectrum by Monte Carlo Transport Simulation

International Nuclear Information System (INIS)

Pazianotto, Mauricio T.; Carlson, Brett V.; Federico, Claudio A.; Gonzalez, Odair L.

2011-01-01

Neutrons generated by the interaction of cosmic rays with the atmosphere make an important contribution to the dose accumulated in electronic circuits and aircraft crew members at flight altitude. High-energy neutrons are produced in spallation reactions and intranuclear cascade processes by primary cosmic-ray particle interactions with atoms in the atmosphere. These neutrons can produce secondary neutrons and also undergo a moderation process due to atmosphere interactions, resulting in a wider energy spectrum, ranging from thermal energies (0.025 eV) to energies of several hundreds of MeV. The Long-Counter (LC) detector is a widely used neutron detector designed to measure the directional flux of neutrons with about constant response over a wide energy range (thermal to 20 MeV). ). Its calibration process and the determination of its energy response for the wide-energy of cosmic ray induced neutron spectrum is a very difficult process due to the lack of installations with these capabilities. The goal of this study is to assess the behavior of the response of a Long Counter using the Monte Carlo (MC) computational code MCNPX (Monte Carlo N-Particle eXtended). The dependence of the Long Counter response on the angle of incidence, as well as on the neutron energy, will be carefully investigated, compared with the experimental data previously obtained with 241 Am-Be and 252 Cf neutron sources and extended to the neutron spectrum produced by cosmic rays. (Author)

Development and applications of Super Monte Carlo Simulation Program for Advanced Nuclear Energy Systems

Energy Technology Data Exchange (ETDEWEB)

Wu, Y., E-mail: yican.wu@fds.org.cn [Inst. of Nuclear Energy Safety Technology, Hefei, Anhui (China)

2015-07-01

'Full text:' Super Monte Carlo Simulation Program for Advanced Nuclear Energy Systems (SuperMC) is a CAD-based Monte Carlo (MC) program for integrated simulation of nuclear system by making use of hybrid MC-deterministic method and advanced computer technologies. The main usability features are automatic modeling of geometry and physics, visualization and virtual simulation and cloud computing service. SuperMC 2.3, the latest version, can perform coupled neutron and photon transport calculation. SuperMC has been verified by more than 2000 benchmark models and experiments, and has been applied in tens of major nuclear projects, such as the nuclear design and analysis of International Thermonuclear Experimental Reactor (ITER) and China Lead-based reactor (CLEAR). Development and applications of SuperMC are introduced in this presentation. (author)

Development and applications of Super Monte Carlo Simulation Program for Advanced Nuclear Energy Systems

International Nuclear Information System (INIS)

Wu, Y.

2015-01-01

'Full text:' Super Monte Carlo Simulation Program for Advanced Nuclear Energy Systems (SuperMC) is a CAD-based Monte Carlo (MC) program for integrated simulation of nuclear system by making use of hybrid MC-deterministic method and advanced computer technologies. The main usability features are automatic modeling of geometry and physics, visualization and virtual simulation and cloud computing service. SuperMC 2.3, the latest version, can perform coupled neutron and photon transport calculation. SuperMC has been verified by more than 2000 benchmark models and experiments, and has been applied in tens of major nuclear projects, such as the nuclear design and analysis of International Thermonuclear Experimental Reactor (ITER) and China Lead-based reactor (CLEAR). Development and applications of SuperMC are introduced in this presentation. (author)

A NEW MONTE CARLO METHOD FOR TIME-DEPENDENT NEUTRINO RADIATION TRANSPORT

International Nuclear Information System (INIS)

Abdikamalov, Ernazar; Ott, Christian D.; O'Connor, Evan; Burrows, Adam; Dolence, Joshua C.; Löffler, Frank; Schnetter, Erik

2012-01-01

Monte Carlo approaches to radiation transport have several attractive properties such as simplicity of implementation, high accuracy, and good parallel scaling. Moreover, Monte Carlo methods can handle complicated geometries and are relatively easy to extend to multiple spatial dimensions, which makes them potentially interesting in modeling complex multi-dimensional astrophysical phenomena such as core-collapse supernovae. The aim of this paper is to explore Monte Carlo methods for modeling neutrino transport in core-collapse supernovae. We generalize the Implicit Monte Carlo photon transport scheme of Fleck and Cummings and gray discrete-diffusion scheme of Densmore et al. to energy-, time-, and velocity-dependent neutrino transport. Using our 1D spherically-symmetric implementation, we show that, similar to the photon transport case, the implicit scheme enables significantly larger timesteps compared with explicit time discretization, without sacrificing accuracy, while the discrete-diffusion method leads to significant speed-ups at high optical depth. Our results suggest that a combination of spectral, velocity-dependent, Implicit Monte Carlo and discrete-diffusion Monte Carlo methods represents a robust approach for use in neutrino transport calculations in core-collapse supernovae. Our velocity-dependent scheme can easily be adapted to photon transport.

A NEW MONTE CARLO METHOD FOR TIME-DEPENDENT NEUTRINO RADIATION TRANSPORT

Energy Technology Data Exchange (ETDEWEB)

Abdikamalov, Ernazar; Ott, Christian D.; O' Connor, Evan [TAPIR, California Institute of Technology, MC 350-17, 1200 E California Blvd., Pasadena, CA 91125 (United States); Burrows, Adam; Dolence, Joshua C. [Department of Astrophysical Sciences, Princeton University, Peyton Hall, Ivy Lane, Princeton, NJ 08544 (United States); Loeffler, Frank; Schnetter, Erik, E-mail: abdik@tapir.caltech.edu [Center for Computation and Technology, Louisiana State University, 216 Johnston Hall, Baton Rouge, LA 70803 (United States)

2012-08-20

Monte Carlo approaches to radiation transport have several attractive properties such as simplicity of implementation, high accuracy, and good parallel scaling. Moreover, Monte Carlo methods can handle complicated geometries and are relatively easy to extend to multiple spatial dimensions, which makes them potentially interesting in modeling complex multi-dimensional astrophysical phenomena such as core-collapse supernovae. The aim of this paper is to explore Monte Carlo methods for modeling neutrino transport in core-collapse supernovae. We generalize the Implicit Monte Carlo photon transport scheme of Fleck and Cummings and gray discrete-diffusion scheme of Densmore et al. to energy-, time-, and velocity-dependent neutrino transport. Using our 1D spherically-symmetric implementation, we show that, similar to the photon transport case, the implicit scheme enables significantly larger timesteps compared with explicit time discretization, without sacrificing accuracy, while the discrete-diffusion method leads to significant speed-ups at high optical depth. Our results suggest that a combination of spectral, velocity-dependent, Implicit Monte Carlo and discrete-diffusion Monte Carlo methods represents a robust approach for use in neutrino transport calculations in core-collapse supernovae. Our velocity-dependent scheme can easily be adapted to photon transport.

HEPWEB - WEB-portal for Monte Carlo simulations in high-energy physics

International Nuclear Information System (INIS)

Aleksandrov, E.I.; Kotov, V.M.; Uzhinsky, V.V.; Zrelov, P.V.

2011-01-01

A WEB-portal HepWeb allows users to perform the most popular calculations in high-energy physics - calculations of hadron-hadron, hadron-nucleus, and nucleus-nucleus interaction cross sections as well as calculations of secondary-particle characteristics in the interactions using Monte Carlo event generators. The list of the generators includes Dubna version of the intranuclear cascade model (CASCADE), FRITIOF model, ultrarelativistic quantum molecular dynamics model (UrQMD), HIJING model, and AMPT model. Setting up the colliding particles/nucleus properties (collision energy, mass numbers and charges of nuclei, impact parameters of interactions, and number of generated events) is realized by a WEB-interface. A query is processed by a server, and results are presented to the user as a WEB-page. Short descriptions of the installed generators, the WEB-interface implementation and the server operation are given

HEPWEB - WEB-portal for Monte Carlo simulations in high-energy physics

Energy Technology Data Exchange (ETDEWEB)

Aleksandrov, E I; Kotov, V M; Uzhinsky, V V; Zrelov, P V

2011-07-01

A WEB-portal HepWeb allows users to perform the most popular calculations in high-energy physics - calculations of hadron-hadron, hadron-nucleus, and nucleus-nucleus interaction cross sections as well as calculations of secondary-particle characteristics in the interactions using Monte Carlo event generators. The list of the generators includes Dubna version of the intranuclear cascade model (CASCADE), FRITIOF model, ultrarelativistic quantum molecular dynamics model (UrQMD), HIJING model, and AMPT model. Setting up the colliding particles/nucleus properties (collision energy, mass numbers and charges of nuclei, impact parameters of interactions, and number of generated events) is realized by a WEB-interface. A query is processed by a server, and results are presented to the user as a WEB-page. Short descriptions of the installed generators, the WEB-interface implementation and the server operation are given.

A Monte Carlo method for nuclear evaporation and fission at intermediate energies

International Nuclear Information System (INIS)

Deppman, A.; Likhachev, V.P.; Mesa, J.; Pina, S.R. de; Arruda-Neto, J.D.T.; Goncalves, M.; Rodriguez, O.

2003-04-01

We describe a Monte Carlo method to calculate the characteristics of the competition between particle evaporation and nuclear fission processes taking place in the compound nucleus formed after the intranuclear cascade following the absorption of intermediate energy photons by the nucleus. In this version we include not only neutrons, but also protons and alphas as possible evaporating particles. However, this method allows an ease inclusion of other evaporating particles, as deuteron or heavier clusters. Some results for 237 Np, 238 U, and 232 Th are shown. (author)

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.

Monte Carlo simulations of ionization potential depression in dense plasmas

International Nuclear Information System (INIS)

Stransky, M.

2016-01-01

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

Characterization of an extrapolation chamber for low-energy X-rays: Experimental and Monte Carlo preliminary results

Energy Technology Data Exchange (ETDEWEB)

Neves, Lucio P., E-mail: lpneves@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN), Comissao Nacional de Energia Nuclear, Av. Prof. Lineu Prestes 2242, 05508-000 Sao Paulo, SP (Brazil); Silva, Eric A.B., E-mail: ebrito@usp.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN), Comissao Nacional de Energia Nuclear, Av. Prof. Lineu Prestes 2242, 05508-000 Sao Paulo, SP (Brazil); Perini, Ana P., E-mail: aperini@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN), Comissao Nacional de Energia Nuclear, Av. Prof. Lineu Prestes 2242, 05508-000 Sao Paulo, SP (Brazil); Maidana, Nora L., E-mail: nmaidana@if.usp.br [Universidade de Sao Paulo, Instituto de Fisica, Travessa R 187, 05508-900 Sao Paulo, SP (Brazil); Caldas, Linda V.E., E-mail: lcaldas@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN-CNEN), Comissao Nacional de Energia Nuclear, Av. Prof. Lineu Prestes 2242, 05508-000 Sao Paulo, SP (Brazil)

2012-07-15

The extrapolation chamber is a parallel-plate ionization chamber that allows variation of its air-cavity volume. In this work, an experimental study and MCNP-4C Monte Carlo code simulations of an ionization chamber designed and constructed at the Calibration Laboratory at IPEN to be used as a secondary dosimetry standard for low-energy X-rays are reported. The results obtained were within the international recommendations, and the simulations showed that the components of the extrapolation chamber may influence its response up to 11.0%. - Highlights: Black-Right-Pointing-Pointer A homemade extrapolation chamber was studied experimentally and with Monte Carlo. Black-Right-Pointing-Pointer It was characterized as a secondary dosimetry standard, for low energy X-rays. Black-Right-Pointing-Pointer Several characterization tests were performed and the results were satisfactory. Black-Right-Pointing-Pointer Simulation showed that its components may influence the response up to 11.0%. Black-Right-Pointing-Pointer This chamber may be used as a secondary standard at our laboratory.

Monte-Carlo calculation of irradiation dose content beyond shielding of high-energy accelerators

International Nuclear Information System (INIS)

Mokhov, N.V.; Frolov, V.V.

1975-01-01

The MARS programme, designed for calculating the three-dimensional internuclear cascade in defence of the accelerators by the Monte Carlo method, is described. The methods used to reduce the dispersion and the system of semi-empirical formulas made it possible to exceed the parameters of the existing programmes. By means of a synthesis of the results, registered by MARS and HAMLET programmes, the dosage fields for homogeneous and heterogeneous defence were evaluated. The results of the calculated absorbed and equivalent dose behind the barrier, irradiated by a proton beam, having the energy of Esub(o)=1/1000 GeV are exposed. The dependence of the high- and low-energy neutron, proton, pion, kaon, muonium and γ-quantum dosage on the initial energy and thickness, on the material and the composition of the defence is investigated

Potential of building-scale alternative energy to alleviate risk from the future price of energy

International Nuclear Information System (INIS)

Bristow, David; Kennedy, Christopher A.

2010-01-01

The energy used for building operations, the associated greenhouse gas emissions, and the uncertainties in future price of natural gas and electricity can be a cause of concern for building owners and policy makers. In this work we explore the potential of building-scale alternative energy technologies to reduce demand and emissions while also shielding building owners from the risks associated with fluctuations in the price of natural gas and grid electricity. We analyze the monetary costs and benefits over the life cycle of five technologies (photovoltaic and wind electricity generation, solar air and water heating, and ground source heat pumps) over three audience or building types (homeowners, small businesses, large commercial and institutional entities). The analysis includes a Monte Carlo analysis to measure risk that can be compared to other investment opportunities. The results indicate that under government incentives and climate of Toronto, Canada, the returns are relatively high for small degrees of risks for a number of technologies. Ground source heat pumps prove to be exceptionally good investments in terms of their energy savings, emission, reductions, and economics, while the bigger buildings tend also to be better economic choices for the use of these technologies.

Monte Carlo modeling of a High-Sensitivity MOSFET dosimeter for low- and medium-energy photon sources

International Nuclear Information System (INIS)

Wang, Brian; Kim, C.-H.; Xu, X. George

2004-01-01

Metal-oxide-semiconductor field effect transistor (MOSFET) dosimeters are increasingly utilized in radiation therapy and diagnostic radiology. While it is difficult to characterize the dosimeter responses for monoenergetic sources by experiments, this paper reports a detailed Monte Carlo simulation model of the High-Sensitivity MOSFET dosimeter using Monte Carlo N-Particle (MCNP) 4C. A dose estimator method was used to calculate the dose in the extremely thin sensitive volume. Efforts were made to validate the MCNP model using three experiments: (1) comparison of the simulated dose with the measurement of a Cs-137 source, (2) comparison of the simulated dose with analytical values, and (3) comparison of the simulated energy dependence with theoretical values. Our simulation results show that the MOSFET dosimeter has a maximum response at about 40 keV of photon energy. The energy dependence curve is also found to agree with the predicted value from theory within statistical uncertainties. The angular dependence study shows that the MOSFET dosimeter has a higher response (about 8%) when photons come from the epoxy side, compared with the kapton side for the Cs-137 source

A Monte Carlo method for nuclear evaporation and fission at intermediate energies

International Nuclear Information System (INIS)

Deppman, A.; Tavares, O.A.P.; Duarte, S.B.; Arruda-Neto, J.D.T.; Goncalves, M.; Likhachev, V.P.; Mesa, J.; Oliveira, E.C. de; Pina, S.R. de; Rodriguez, O.

2003-01-01

We describe a Monte Carlo method to calculate the characteristics of the competition between particle evaporation and nuclear fission processes taking place in the compound nucleus formed after the intranuclear cascade following the absorption of intermediate energy photons by the nucleus. In this version we include not only neutrons, but also protons and alphas as possible evaporating particles. The present method allows the easy inclusion of other evaporating particles, such as deuteron or heavier clusters. Some fissility results are discussed for the target nuclei 237 Np, 238 U and 232 Th

Prediction of point-defect migration energy barriers in alloys using artificial intelligence for atomistic kinetic Monte Carlo applications

Energy Technology Data Exchange (ETDEWEB)

Castin, N. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium); Universite Libre de Bruxelles (ULB), Physique des Solides Irradies et Nanostructures (PSIN), CP234 Boulevard du triomphe, Brussels (Belgium); Malerba, L. [Structural Materials Group, Nuclear Materials Science Institute, Studiecentrum voor Kerneenergie Centre d' etude de l' energie nucleaire (SCK CEN), Boeretang 200, B-2400 Mol (Belgium)], E-mail: lmalerba@sckcen.be

2009-09-15

We significantly improved a previously proposed method to take into account chemical and also relaxation effects on point-defect migration energy barriers, as predicted by an interatomic potential, in a rigid lattice atomistic kinetic Monte Carlo simulation. Examples of energy barriers are rigorously calculated, including chemical and relaxation effects, as functions of the local atomic configuration, using a nudged elastic bands technique. These examples are then used to train an artificial neural network that provides the barriers on-demand during the simulation for each configuration encountered by the migrating defect. Thanks to a newly developed training method, the configuration can include a large number of neighbour shells, thereby properly including also strain effects. Satisfactory results have been obtained when the configuration includes different chemical species only. The problems encountered in the extension of the method to configurations including any number of point-defects are stated and solutions to tackle them are sketched.

Ground state energy of an hydrogen atom confined in carbon nano-structures: a diffusion quantum Monte Carlo study

International Nuclear Information System (INIS)

Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.

2006-01-01

Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.

Understanding quantum tunneling using diffusion Monte Carlo simulations

Science.gov (United States)

Inack, E. M.; Giudici, G.; Parolini, T.; Santoro, G.; Pilati, S.

2018-03-01

In simple ferromagnetic quantum Ising models characterized by an effective double-well energy landscape the characteristic tunneling time of path-integral Monte Carlo (PIMC) simulations has been shown to scale as the incoherent quantum-tunneling time, i.e., as 1 /Δ2 , where Δ is the tunneling gap. Since incoherent quantum tunneling is employed by quantum annealers (QAs) to solve optimization problems, this result suggests that there is no quantum advantage in using QAs with respect to quantum Monte Carlo (QMC) simulations. A counterexample is the recently introduced shamrock model (Andriyash and Amin, arXiv:1703.09277), where topological obstructions cause an exponential slowdown of the PIMC tunneling dynamics with respect to incoherent quantum tunneling, leaving open the possibility for potential quantum speedup, even for stoquastic models. In this work we investigate the tunneling time of projective QMC simulations based on the diffusion Monte Carlo (DMC) algorithm without guiding functions, showing that it scales as 1 /Δ , i.e., even more favorably than the incoherent quantum-tunneling time, both in a simple ferromagnetic system and in the more challenging shamrock model. However, a careful comparison between the DMC ground-state energies and the exact solution available for the transverse-field Ising chain indicates an exponential scaling of the computational cost required to keep a fixed relative error as the system size increases.

Use of Monte Carlo method in low-energy gamma radiation applications

International Nuclear Information System (INIS)

Sulc, J.

1982-01-01

Modelling based on the Monte Carlo method is described in detail of the interaction of low-energy gamma radiation resulting in characteristic radiation of the K series of a pure element. The modelled system corresponds to the usual configuration of the measuring part of a radionuclide X-ray fluorescence analyzer. The accuracy of determination of the mean probability of impingement of characteristic radiation on the detector increases with the number of events. The number of events was selected with regard to the required accuracy, the demand on computer time and the accuracy of input parameters. The results of a comparison of computation and experiment are yet to be published. (M.D.)

An experimental and Monte Carlo investigation of the energy dependence of alanine/EPR dosimetry: I. Clinical x-ray beams

International Nuclear Information System (INIS)

Zeng, G G; McEwen, M R; Rogers, D W O; Klassen, N V

2004-01-01

The energy dependence of alanine/EPR dosimetry, in terms of absorbed dose-to-water for clinical 6, 10, 25 MV x-rays and 60 Co rays was investigated by measurements and Monte Carlo (MC) calculations. The dose rates were traceable to the NRC primary standard for absorbed dose, a sealed water calorimetry. The electron paramagnetic resonance (EPR) spectra of irradiated pellets were measured using a Bruker EMX 081 EPR spectrometer. The DOSRZnrc Monte Carlo code of the EGSnrc system was used to simulate the experimental conditions with BEAM code calculated input spectra of x-rays and γ-rays. Within the experimental uncertainty of 0.5%, the alanine EPR response to absorbed dose-to-water for x-rays was not dependent on beam quality from 6 MV to 25 MV, but on average, it was about 0.6% lower than its response to 60 Co gamma rays. Combining experimental data with Monte Carlo calculations, it is found that the alanine/EPR response per unit absorbed dose-to-alanine is the same for clinical x-rays and 60 Co gamma rays within the uncertainty of 0.6%. Monte Carlo simulations showed that neither the presence of PMMA holder nor varying the dosimeter thickness between 1 mm and 5 mm has significant effect on the energy dependence of alanine/EPR dosimetry within the calculation uncertainty of 0.3%

Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

Science.gov (United States)

Trottier, H. D.; Shakespeare, N. H.; Lepage, G. P.; MacKenzie, P. B.

2002-05-01

Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 34 to 164) and couplings (from β~9 to β~60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported.

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

Science.gov (United States)

Christensen, H. M.; Jake, L. C.; Curotto, E.

2016-05-01

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n-dipoles clusters in the n = 8-20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n simulations may produce a more reliable ground state mixed-distribution.

Optimisation of energy supply at off-grid healthcare facilities using Monte Carlo simulation

International Nuclear Information System (INIS)

Dufo-López, Rodolfo; Pérez-Cebollada, Eduardo; Bernal-Agustín, José L.; Martínez-Ruiz, Ignacio

2016-01-01

Highlights: • We study the application of renewable energies in a hospital located in Kalonge. • A stochastic approach is developed by means of Monte Carlo simulation. • We propose adding PV panels to improve the supply of electrical energy. • The results show that optimal design could achieve 28% reduction in the LCE. • Furthermore, we discuss possible improvements to the telecommunications of the hospital. - Abstract: In this paper, we present a methodology for the optimisation of off-grid hybrid systems (photovoltaic–diesel–battery systems). A stochastic approach is developed by means of Monte Carlo simulation to consider the uncertainties of irradiation and load. The optimisation is economic; that is, we look for a system with a lower net present cost including installation, replacement of the components, operation and maintenance, etc. The most important variable that must be estimated is the batteries lifespan, which depends on the operating conditions (charge/discharge cycles, corrosion, state of charge, etc.). Previous works used classical methods for the estimation of batteries lifespan, which can be too optimistic in many cases, obtaining a net present cost of the system much lower than in reality. In this work, we include an advanced weighted Ah-throughput model for the lead-acid batteries, which is much more realistic. The optimisation methodology presented in this paper is applied in the optimisation of the electrical supply for an off-grid hospital located in Kalonge (Democratic Republic of the Congo). At the moment, the power supply relies on a diesel generator; batteries are used in order to ensure the basic supply of energy when the generator is unavailable (night hours). The optimisation includes the possibility of adding solar photovoltaic (PV) panels to improve the supply of electrical energy. The results show that optimal design could achieve a 28% reduction in the levelised cost of energy and a 54% reduction in the diesel fuel

Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS.

Science.gov (United States)

Haghighi Mood, Kaveh; Lüchow, Arne

2017-08-17

Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal compounds is performed. It is demonstrated that energy optimization of the orbitals of a complete active space wave function in the presence of a Jastrow correlation function is required to obtain agreement with the experimental dissociation energy. Furthermore, it is shown that orbital optimization leads to a 5 Δ ground state, in agreement with experiments but in disagreement with other high-level ab initio wave function calculations which all predict a 5 Σ + ground state. The role of the Jastrow factor in DMC calculations with pseudopotentials is investigated. The results suggest that a large Jastrow factor may improve the DMC accuracy substantially at small additional cost.

A Benchmarking Study of High Energy Carbon Ion Induced Neutron Using Several Monte Carlo Codes

Energy Technology Data Exchange (ETDEWEB)

Kim, D. H.; Oh, J. H.; Jung, N. S.; Lee, H. S. [Pohang Accelerator Laboratory, Pohang (Korea, Republic of); Shin, Y. S.; Kwon, D. Y.; Kim, Y. M. [Catholic Univ., Gyeongsan (Korea, Republic of); Oranj, L. Mokhtari [POSTECH, Pohang (Korea, Republic of)

2014-10-15

In this study, the benchmarking study was done for the representative particle interaction of the heavy ion accelerator, especially carbon-induced reaction. The secondary neutron is an important particle in the shielding analysis to define the source term and penetration ability of radiation fields. The performance of each Monte Carlo codes were verified for selected codes: MCNPX 2.7, PHITS 2.64 and FLUKA 2011.2b.6. For this benchmarking study, the experimental data of Kurosawa et al. in the SINBAD database of NEA was applied. The calculated results of the differential neutron yield produced from several materials irradiated by high energy carbon beam reproduced the experimental data well in small uncertainty. But the MCNPX results showed large discrepancy with experimental data, especially at the forward angle. The calculated results were lower a little than the experimental and it was clear in the cases of lower incident carbon energy, thinner target and forward angle. As expected, the influence of different model was found clearly at forward direction. In the shielding analysis, these characteristics of each Monte Carlo codes should be considered and utilized to determine the safety margin of a shield thickness.

A Benchmarking Study of High Energy Carbon Ion Induced Neutron Using Several Monte Carlo Codes

International Nuclear Information System (INIS)

Kim, D. H.; Oh, J. H.; Jung, N. S.; Lee, H. S.; Shin, Y. S.; Kwon, D. Y.; Kim, Y. M.; Oranj, L. Mokhtari

2014-01-01

In this study, the benchmarking study was done for the representative particle interaction of the heavy ion accelerator, especially carbon-induced reaction. The secondary neutron is an important particle in the shielding analysis to define the source term and penetration ability of radiation fields. The performance of each Monte Carlo codes were verified for selected codes: MCNPX 2.7, PHITS 2.64 and FLUKA 2011.2b.6. For this benchmarking study, the experimental data of Kurosawa et al. in the SINBAD database of NEA was applied. The calculated results of the differential neutron yield produced from several materials irradiated by high energy carbon beam reproduced the experimental data well in small uncertainty. But the MCNPX results showed large discrepancy with experimental data, especially at the forward angle. The calculated results were lower a little than the experimental and it was clear in the cases of lower incident carbon energy, thinner target and forward angle. As expected, the influence of different model was found clearly at forward direction. In the shielding analysis, these characteristics of each Monte Carlo codes should be considered and utilized to determine the safety margin of a shield thickness

JENDL-4.0 benchmarking for effective delayed neutron fraction with a continuous-energy Monte Carlo code MVP

International Nuclear Information System (INIS)

Nagaya, Yasunobu

2013-01-01

Benchmark calculations with a continuous-energy Monte Carlo code have been performed for delayed neutron data of JENDL-4.0. JENDL-4.0 gives good prediction for the effective delayed neutron fraction in the present benchmarks but further detailed analysis is required for some cores. (author)

Development of continuous energy Monte Carlo burn-up calculation code MVP-BURN

International Nuclear Information System (INIS)

Okumura, Keisuke; Nakagawa, Masayuki; Sasaki, Makoto

2001-01-01

Burn-up calculations based on the continuous energy Monte Carlo method became possible by development of MVP-BURN. To confirm the reliably of MVP-BURN, it was applied to the two numerical benchmark problems; cell burn-up calculations for High Conversion LWR lattice and BWR lattice with burnable poison rods. Major burn-up parameters have shown good agreements with the results obtained by a deterministic code (SRAC95). Furthermore, spent fuel composition calculated by MVP-BURN was compared with measured one. Atomic number densities of major actinides at 34 GWd/t could be predicted within 10% accuracy. (author)

Perturbative expansions from Monte Carlo simulations at weak coupling: Wilson loops and the static-quark self-energy

International Nuclear Information System (INIS)

Trottier, H.D.; Shakespeare, N.H.; Lepage, G.P.; Mackenzie, P.B.

2002-01-01

Perturbative coefficients for Wilson loops and the static-quark self-energy are extracted from Monte Carlo simulations at weak coupling. The lattice volumes and couplings are chosen to ensure that the lattice momenta are all perturbative. Twisted boundary conditions are used to eliminate the effects of lattice zero modes and to suppress nonperturbative finite-volume effects due to Z(3) phases. Simulations of the Wilson gluon action are done with both periodic and twisted boundary conditions, and over a wide range of lattice volumes (from 3 4 to 16 4 ) and couplings (from β≅9 to β≅60). A high precision comparison is made between the simulation data and results from finite-volume lattice perturbation theory. The Monte Carlo results are shown to be in excellent agreement with perturbation theory through second order. New results for third-order coefficients for a number of Wilson loops and the static-quark self-energy are reported

The potential of renewable energy

International Nuclear Information System (INIS)

Piot, M.

2007-01-01

This article presents and comments on definitions of the potential of renewable forms of energy and, in a second part, takes a look at the potentials mentioned in the energy perspectives published by the Swiss Federal Office of Energy (SFOE). The following potentials are looked at: technical potential, ecological potential, economic potential, exploitable and expected potentials, technical, economic and ecological expansion potentials, potential of particular technologies in Switzerland, exploitable and expected expansion potential. Four scenarios for expansion potential are briefly described

Application of the Monte Carlo method in calculation of energy-time distribution from a pulsed photon source in homogeneous air environment

International Nuclear Information System (INIS)

Ilic, R.D.; Vojvodic, V.I.; Orlic, M.P.

1981-01-01

The stochastic nature of photon interactions with matter and the characteristics of photon transport through real materials, are very well suited for applications of the Monte Carlo method in calculations of the energy-space distribution of photons. Starting from general principles of the Monte Carlo method, physical-mathematical model of photon transport from a pulsed source is given for the homogeneous air environment. Based on that model, a computer program is written which is applied in calculations of scattered photons delay spectra and changes of the photon energy spectrum. Obtained results provide the estimation of the timespace function of the electromagnetic field generated by photon from a pulsed source. (author)

High-energy particle Monte Carlo at Los Alamos

International Nuclear Information System (INIS)

Prael, R.E.

1985-01-01

A major computational effort at Los Alamos has been the development of a code system based on the HETC code for the transport of nucleons, pions, and muons. The Los Alamos National Laboratory version of HETC utilizes MCNP geometry and interfaces with MCNP for the transport of neutrons below 20 MeV and photons at any energy. A major recent effort has been the development of the PHT code for treating the gamma cascade in excited nuclei (the residual nuclei from an HETC calculation) by the Monte Carlo method to generate a photon source for MCNP. The HETC/MCNP code system has been extensively used for design studies of accelerator targets and shielding, including the design of LAMPF-II. It is extensively used for the design and analysis of accelerator experiments. Los Alamos National Laboratory has been an active member of the International Collaboration on Advanced Neutron Sources; as such we engage in shared code development and computational efforts. In the past few years, additional effort has been devoted to the development of a Chen-model intranuclear cascade code (INCA1) featuring a cluster model for the nucleus and deuteron pickup reactions. Concurrently, the INCA2 code for the breakup of light, excited nuclei using the Fermi breakup model has been developed. Together, they have been used for the calculation of neutron and proton cross sections in the energy ranges appropriate to medical accelerators, and for the computation of tissue kerma factors

Experimental and Monte Carlo studies of fluence corrections for graphite calorimetry in low- and high-energy clinical proton beams

International Nuclear Information System (INIS)

Lourenço, Ana; Thomas, Russell; Bouchard, Hugo; Kacperek, Andrzej; Vondracek, Vladimir; Royle, Gary; Palmans, Hugo

2016-01-01

Purpose: The aim of this study was to determine fluence corrections necessary to convert absorbed dose to graphite, measured by graphite calorimetry, to absorbed dose to water. Fluence corrections were obtained from experiments and Monte Carlo simulations in low- and high-energy proton beams. Methods: Fluence corrections were calculated to account for the difference in fluence between water and graphite at equivalent depths. Measurements were performed with narrow proton beams. Plane-parallel-plate ionization chambers with a large collecting area compared to the beam diameter were used to intercept the whole beam. High- and low-energy proton beams were provided by a scanning and double scattering delivery system, respectively. A mathematical formalism was established to relate fluence corrections derived from Monte Carlo simulations, using the FLUKA code [A. Ferrari et al., “FLUKA: A multi-particle transport code,” in CERN 2005-10, INFN/TC 05/11, SLAC-R-773 (2005) and T. T. Böhlen et al., “The FLUKA Code: Developments and challenges for high energy and medical applications,” Nucl. Data Sheets 120, 211–214 (2014)], to partial fluence corrections measured experimentally. Results: A good agreement was found between the partial fluence corrections derived by Monte Carlo simulations and those determined experimentally. For a high-energy beam of 180 MeV, the fluence corrections from Monte Carlo simulations were found to increase from 0.99 to 1.04 with depth. In the case of a low-energy beam of 60 MeV, the magnitude of fluence corrections was approximately 0.99 at all depths when calculated in the sensitive area of the chamber used in the experiments. Fluence correction calculations were also performed for a larger area and found to increase from 0.99 at the surface to 1.01 at greater depths. Conclusions: Fluence corrections obtained experimentally are partial fluence corrections because they account for differences in the primary and part of the secondary

Experimental and Monte Carlo studies of fluence corrections for graphite calorimetry in low- and high-energy clinical proton beams

Energy Technology Data Exchange (ETDEWEB)

Lourenço, Ana, E-mail: am.lourenco@ucl.ac.uk [Department of Medical Physics and Biomedical Engineering, University College London, London WC1E 6BT, United Kingdom and Division of Acoustics and Ionising Radiation, National Physical Laboratory, Teddington TW11 0LW (United Kingdom); Thomas, Russell; Bouchard, Hugo [Division of Acoustics and Ionising Radiation, National Physical Laboratory, Teddington TW11 0LW (United Kingdom); Kacperek, Andrzej [National Eye Proton Therapy Centre, Clatterbridge Cancer Centre, Wirral CH63 4JY (United Kingdom); Vondracek, Vladimir [Proton Therapy Center, Budinova 1a, Prague 8 CZ-180 00 (Czech Republic); Royle, Gary [Department of Medical Physics and Biomedical Engineering, University College London, London WC1E 6BT (United Kingdom); Palmans, Hugo [Division of Acoustics and Ionising Radiation, National Physical Laboratory, Teddington TW11 0LW, United Kingdom and Medical Physics Group, EBG MedAustron GmbH, A-2700 Wiener Neustadt (Austria)

2016-07-15

Purpose: The aim of this study was to determine fluence corrections necessary to convert absorbed dose to graphite, measured by graphite calorimetry, to absorbed dose to water. Fluence corrections were obtained from experiments and Monte Carlo simulations in low- and high-energy proton beams. Methods: Fluence corrections were calculated to account for the difference in fluence between water and graphite at equivalent depths. Measurements were performed with narrow proton beams. Plane-parallel-plate ionization chambers with a large collecting area compared to the beam diameter were used to intercept the whole beam. High- and low-energy proton beams were provided by a scanning and double scattering delivery system, respectively. A mathematical formalism was established to relate fluence corrections derived from Monte Carlo simulations, using the FLUKA code [A. Ferrari et al., “FLUKA: A multi-particle transport code,” in CERN 2005-10, INFN/TC 05/11, SLAC-R-773 (2005) and T. T. Böhlen et al., “The FLUKA Code: Developments and challenges for high energy and medical applications,” Nucl. Data Sheets 120, 211–214 (2014)], to partial fluence corrections measured experimentally. Results: A good agreement was found between the partial fluence corrections derived by Monte Carlo simulations and those determined experimentally. For a high-energy beam of 180 MeV, the fluence corrections from Monte Carlo simulations were found to increase from 0.99 to 1.04 with depth. In the case of a low-energy beam of 60 MeV, the magnitude of fluence corrections was approximately 0.99 at all depths when calculated in the sensitive area of the chamber used in the experiments. Fluence correction calculations were also performed for a larger area and found to increase from 0.99 at the surface to 1.01 at greater depths. Conclusions: Fluence corrections obtained experimentally are partial fluence corrections because they account for differences in the primary and part of the secondary

An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces.

Science.gov (United States)

Qu, Chen; Bowman, Joel M

2016-09-14

We report a full-dimensional, permutationally invariant potential energy surface (PES) for the cyclic formic acid dimer. This PES is a least-squares fit to 13475 CCSD(T)-F12a/haTZ (VTZ for H and aVTZ for C and O) energies. The energy-weighted, root-mean-square fitting error is 11 cm -1 and the barrier for the double-proton transfer on the PES is 2848 cm -1 , in good agreement with the directly-calculated ab initio value of 2853 cm -1 . The zero-point vibrational energy of 15 337 ± 7 cm -1 is obtained from diffusion Monte Carlo calculations. Energies of fundamentals of fifteen modes are calculated using the vibrational self-consistent field and virtual-state configuration interaction method. The ground-state tunneling splitting is computed using a reduced-dimensional Hamiltonian with relaxed potentials. The highest-level, four-mode coupled calculation gives a tunneling splitting of 0.037 cm -1 , which is roughly twice the experimental value. The tunneling splittings of (DCOOH) 2 and (DCOOD) 2 from one to three mode calculations are, as expected, smaller than that for (HCOOH) 2 and consistent with experiment.

TU-AB-BRC-03: Accurate Tissue Characterization for Monte Carlo Dose Calculation Using Dual-and Multi-Energy CT Data

Energy Technology Data Exchange (ETDEWEB)

Lalonde, A; Bouchard, H [University of Montreal, Montreal, Qc (Canada)

2016-06-15

Purpose: To develop a general method for human tissue characterization with dual-and multi-energy CT and evaluate its performance in determining elemental compositions and the associated proton stopping power relative to water (SPR) and photon mass absorption coefficients (EAC). Methods: Principal component analysis is used to extract an optimal basis of virtual materials from a reference dataset of tissues. These principal components (PC) are used to perform two-material decomposition using simulated DECT data. The elemental mass fraction and the electron density in each tissue is retrieved by measuring the fraction of each PC. A stoichiometric calibration method is adapted to the technique to make it suitable for clinical use. The present approach is compared with two others: parametrization and three-material decomposition using the water-lipid-protein (WLP) triplet. Results: Monte Carlo simulations using TOPAS for four reference tissues shows that characterizing them with only two PC is enough to get a submillimetric precision on proton range prediction. Based on the simulated DECT data of 43 references tissues, the proposed method is in agreement with theoretical values of protons SPR and low-kV EAC with a RMS error of 0.11% and 0.35%, respectively. In comparison, parametrization and WLP respectively yield RMS errors of 0.13% and 0.29% on SPR, and 2.72% and 2.19% on EAC. Furthermore, the proposed approach shows potential applications for spectral CT. Using five PC and five energy bins reduces the SPR RMS error to 0.03%. Conclusion: The proposed method shows good performance in determining elemental compositions from DECT data and physical quantities relevant to radiotherapy dose calculation and generally shows better accuracy and unbiased results compared to reference methods. The proposed method is particularly suitable for Monte Carlo calculations and shows promise in using more than two energies to characterize human tissue with CT.

TU-AB-BRC-03: Accurate Tissue Characterization for Monte Carlo Dose Calculation Using Dual-and Multi-Energy CT Data

International Nuclear Information System (INIS)

Lalonde, A; Bouchard, H

2016-01-01

Purpose: To develop a general method for human tissue characterization with dual-and multi-energy CT and evaluate its performance in determining elemental compositions and the associated proton stopping power relative to water (SPR) and photon mass absorption coefficients (EAC). Methods: Principal component analysis is used to extract an optimal basis of virtual materials from a reference dataset of tissues. These principal components (PC) are used to perform two-material decomposition using simulated DECT data. The elemental mass fraction and the electron density in each tissue is retrieved by measuring the fraction of each PC. A stoichiometric calibration method is adapted to the technique to make it suitable for clinical use. The present approach is compared with two others: parametrization and three-material decomposition using the water-lipid-protein (WLP) triplet. Results: Monte Carlo simulations using TOPAS for four reference tissues shows that characterizing them with only two PC is enough to get a submillimetric precision on proton range prediction. Based on the simulated DECT data of 43 references tissues, the proposed method is in agreement with theoretical values of protons SPR and low-kV EAC with a RMS error of 0.11% and 0.35%, respectively. In comparison, parametrization and WLP respectively yield RMS errors of 0.13% and 0.29% on SPR, and 2.72% and 2.19% on EAC. Furthermore, the proposed approach shows potential applications for spectral CT. Using five PC and five energy bins reduces the SPR RMS error to 0.03%. Conclusion: The proposed method shows good performance in determining elemental compositions from DECT data and physical quantities relevant to radiotherapy dose calculation and generally shows better accuracy and unbiased results compared to reference methods. The proposed method is particularly suitable for Monte Carlo calculations and shows promise in using more than two energies to characterize human tissue with CT.

Present status of transport code development based on Monte Carlo method

International Nuclear Information System (INIS)

Nakagawa, Masayuki

1985-01-01

The present status of development in Monte Carlo code is briefly reviewed. The main items are the followings; Application fields, Methods used in Monte Carlo code (geometry spectification, nuclear data, estimator and variance reduction technique) and unfinished works, Typical Monte Carlo codes and Merits of continuous energy Monte Carlo code. (author)

Monte Carlo simulations of multiple scattering effects in ERD measurements

International Nuclear Information System (INIS)

Doyle, Barney Lee; Arstila, Kai.; Nordlumd, K.; Knapp, James Arthur

2003-01-01

Multiple scattering effects in ERD measurements are studied by comparing two Monte Carlo simulation codes, representing different approaches to obtain acceptable statistics, to experimental spectra measured from a HfO 2 sample with a time-of-flight-ERD setup. The results show that both codes can reproduce the absolute detection yields and the energy distributions in an adequate way. The effect of the choice of the interatomic potential in multiple scattering effects is also studied. Finally the capabilities of the MC simulations in the design of new measurement setups are demonstrated by simulating the recoil energy spectra from a WC x N y sample with a low energy heavy ion beam.

Continuous energy Monte Carlo calculations for randomly distributed spherical fuels based on statistical geometry model

Energy Technology Data Exchange (ETDEWEB)

Murata, Isao [Osaka Univ., Suita (Japan); Mori, Takamasa; Nakagawa, Masayuki; Itakura, Hirofumi

1996-03-01

The method to calculate neutronics parameters of a core composed of randomly distributed spherical fuels has been developed based on a statistical geometry model with a continuous energy Monte Carlo method. This method was implemented in a general purpose Monte Carlo code MCNP, and a new code MCNP-CFP had been developed. This paper describes the model and method how to use it and the validation results. In the Monte Carlo calculation, the location of a spherical fuel is sampled probabilistically along the particle flight path from the spatial probability distribution of spherical fuels, called nearest neighbor distribution (NND). This sampling method was validated through the following two comparisons: (1) Calculations of inventory of coated fuel particles (CFPs) in a fuel compact by both track length estimator and direct evaluation method, and (2) Criticality calculations for ordered packed geometries. This method was also confined by applying to an analysis of the critical assembly experiment at VHTRC. The method established in the present study is quite unique so as to a probabilistic model of the geometry with a great number of spherical fuels distributed randomly. Realizing the speed-up by vector or parallel computations in future, it is expected to be widely used in calculation of a nuclear reactor core, especially HTGR cores. (author).

Variational Monte Carlo Technique

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 8. Variational Monte Carlo Technique: Ground State Energies of Quantum Mechanical Systems. Sukanta Deb. General Article Volume 19 Issue 8 August 2014 pp 713-739 ...

Monte Carlo approaches to light nuclei

International Nuclear Information System (INIS)

Carlson, J.

1990-01-01

Significant progress has been made recently in the application of Monte Carlo methods to the study of light nuclei. We review new Green's function Monte Carlo results for the alpha particle, Variational Monte Carlo studies of 16 O, and methods for low-energy scattering and transitions. Through these calculations, a coherent picture of the structure and electromagnetic properties of light nuclei has arisen. In particular, we examine the effect of the three-nucleon interaction and the importance of exchange currents in a variety of experimentally measured properties, including form factors and capture cross sections. 29 refs., 7 figs

Monte Carlo approaches to light nuclei

Energy Technology Data Exchange (ETDEWEB)

Carlson, J.

1990-01-01

Significant progress has been made recently in the application of Monte Carlo methods to the study of light nuclei. We review new Green's function Monte Carlo results for the alpha particle, Variational Monte Carlo studies of {sup 16}O, and methods for low-energy scattering and transitions. Through these calculations, a coherent picture of the structure and electromagnetic properties of light nuclei has arisen. In particular, we examine the effect of the three-nucleon interaction and the importance of exchange currents in a variety of experimentally measured properties, including form factors and capture cross sections. 29 refs., 7 figs.

A Monte Carlo algorithm for the Vavilov distribution

International Nuclear Information System (INIS)

Yi, Chul-Young; Han, Hyon-Soo

1999-01-01

Using the convolution property of the inverse Laplace transform, an improved Monte Carlo algorithm for the Vavilov energy-loss straggling distribution of the charged particle is developed, which is relatively simple and gives enough accuracy to be used for most Monte Carlo applications

Adjoint electron Monte Carlo calculations

International Nuclear Information System (INIS)

Jordan, T.M.

1986-01-01

Adjoint Monte Carlo is the most efficient method for accurate analysis of space systems exposed to natural and artificially enhanced electron environments. Recent adjoint calculations for isotropic electron environments include: comparative data for experimental measurements on electronics boxes; benchmark problem solutions for comparing total dose prediction methodologies; preliminary assessment of sectoring methods used during space system design; and total dose predictions on an electronics package. Adjoint Monte Carlo, forward Monte Carlo, and experiment are in excellent agreement for electron sources that simulate space environments. For electron space environments, adjoint Monte Carlo is clearly superior to forward Monte Carlo, requiring one to two orders of magnitude less computer time for relatively simple geometries. The solid-angle sectoring approximations used for routine design calculations can err by more than a factor of 2 on dose in simple shield geometries. For critical space systems exposed to severe electron environments, these potential sectoring errors demand the establishment of large design margins and/or verification of shield design by adjoint Monte Carlo/experiment

MVP/GMVP version 3. General purpose Monte Carlo codes for neutron and photon transport calculations based on continuous energy and multigroup methods

International Nuclear Information System (INIS)

Nagaya, Yasunobu; Okumura, Keisuke; Sakurai, Takeshi; Mori, Takamasa

2017-03-01

In order to realize fast and accurate Monte Carlo simulation of neutron and photon transport problems, two Monte Carlo codes MVP (continuous-energy method) and GMVP (multigroup method) have been developed at Japan Atomic Energy Agency. The codes have adopted a vectorized algorithm and have been developed for vector-type supercomputers. They also support parallel processing with a standard parallelization library MPI and thus a speed-up of Monte Carlo calculations can be achieved on general computing platforms. The first and second versions of the codes were released in 1994 and 2005, respectively. They have been extensively improved and new capabilities have been implemented. The major improvements and new capabilities are as follows: (1) perturbation calculation for effective multiplication factor, (2) exact resonant elastic scattering model, (3) calculation of reactor kinetics parameters, (4) photo-nuclear model, (5) simulation of delayed neutrons, (6) generation of group constants. This report describes the physical model, geometry description method used in the codes, new capabilities and input instructions. (author)

Monte Carlo evaluation of the potential benefits of flattening filter free beams from the Oncor® clinical linear accelerator.

Science.gov (United States)

Asadi, Amin; Razavi-Ratki, Seid Kazem; Jabbari, Keyvan; Najafzadeh, Milad; Nickfarjam, Abolfazl

2018-01-01

To evaluate the potential privileges of flattening filter-free (FFF) photon beams from Oncor® linac for 6 MV and 18 MV energies. A Monte Carlo (MC) model of Oncor® linac was built using BEAMnrc MCCode and verified by the measured data using 6 MV and 18 MV energies. A comprehensive set of data was also characterized for MC model of Oncor® machine running with and without flattening filter (FF) for 6 MV and 18 MV beams in six field sizes. The investigated characteristics included mean energy, energy spectrum, photon spatial fluence, superficial dose, percent depth dose (PDD), dose output, and out-of-field dose with two indexes of lateral dose profile and isodose curve at three depths. Using FFF enhanced the energy uniformity 3.4±0.11% (6 MV) and 2.05±0.09% (18 MV) times and improved dose output by factor of 2.91 (6 MV) and 4.2 (18 MV) on the central axis, respectively. Using FFF also reduced the PDD dependencies by 9.1% (6 MV) and 5.57% (18 MV). In addition, using FFF had a lower out-of-field dose due to the reduced head scatter and softer spectra. The findings in this study suggested that using FFF, Oncor® machine could achieve better treatment results with lower dose toxicity and a shorter beam-on time.

Multi-level quantum monte Carlo wave functions for complex reactions: The decomposition of α-hydroxy-dimethylnitrosamine

NARCIS (Netherlands)

Fracchia, F.; Filippi, Claudia; Amovilli, C.

2014-01-01

We present here several novel features of our recently proposed Jastrow linear generalized valence bond (J-LGVB) wave functions, which allow a consistently accurate description of complex potential energy surfaces (PES) of medium-large systems within quantum Monte Carlo (QMC). In particular, we

Low dose out-of-field radiotherapy, part 2: Calculating the mean photon energy values for the out-of-field photon energy spectrum from scattered radiation using Monte Carlo methods.

Science.gov (United States)

Skrobala, A; Adamczyk, S; Kruszyna-Mochalska, M; Skórska, M; Konefał, A; Suchorska, W; Zaleska, K; Kowalik, A; Jackowiak, W; Malicki, J

2017-08-01

During radiotherapy, leakage from the machine head and collimator expose patients to out-of-field irradiation doses, which may cause secondary cancers. To quantify the risks of secondary cancers due to out-of-field doses, it is first necessary to measure these doses. Since most dosimeters are energy-dependent, it is essential to first determine the type of photon energy spectrum in the out-of-field area. The aim of this study was to determine the mean photon energy values for the out-of-field photon energy spectrum for a 6 MV photon beam using the GEANT 4-Monte Carlo method. A specially-designed large water phantom was simulated with a static field at gantry 0°. The source-to-surface distance was 92cm for an open field size of 10×10cm2. The photon energy spectra were calculated at five unique positions (at depths of 0.5, 1.6, 4, 6, 8, and 10cm) along the central beam axis and at six different off-axis distances. Monte Carlo simulations showed that mean radiation energy levels drop rapidly beyond the edge of the 6 MV photon beam field: at a distance of 10cm, the mean energy level is close to 0.3MeV versus 1.5MeV at the central beam axis. In some cases, the energy level actually increased even as the distance from the field edge increased: at a depth of 1.6cm and 15cm off-axis, the mean energy level was 0.205MeV versus 0.252MeV at 20cm off-axis. The out-of-field energy spectra and dose distribution data obtained in this study with Monte Carlo methods can be used to calibrate dosimeters to measure out-of-field radiation from 6MV photons. Copyright © 2017 Société française de radiothérapie oncologique (SFRO). Published by Elsevier SAS. All rights reserved.

Implementation of the probability table method in a continuous-energy Monte Carlo code system

International Nuclear Information System (INIS)

Sutton, T.M.; Brown, F.B.

1998-10-01

RACER is a particle-transport Monte Carlo code that utilizes a continuous-energy treatment for neutrons and neutron cross section data. Until recently, neutron cross sections in the unresolved resonance range (URR) have been treated in RACER using smooth, dilute-average representations. This paper describes how RACER has been modified to use probability tables to treat cross sections in the URR, and the computer codes that have been developed to compute the tables from the unresolved resonance parameters contained in ENDF/B data files. A companion paper presents results of Monte Carlo calculations that demonstrate the effect of the use of probability tables versus the use of dilute-average cross sections for the URR. The next section provides a brief review of the probability table method as implemented in the RACER system. The production of the probability tables for use by RACER takes place in two steps. The first step is the generation of probability tables from the nuclear parameters contained in the ENDF/B data files. This step, and the code written to perform it, are described in Section 3. The tables produced are at energy points determined by the ENDF/B parameters and/or accuracy considerations. The tables actually used in the RACER calculations are obtained in the second step from those produced in the first. These tables are generated at energy points specific to the RACER calculation. Section 4 describes this step and the code written to implement it, as well as modifications made to RACER to enable it to use the tables. Finally, some results and conclusions are presented in Section 5

Monte Carlo simulation of boron-ion implantation into single-crystal silicon

International Nuclear Information System (INIS)

Klein, K.M.

1991-01-01

A physically based Monte Carlo boron implantation model developed comprehends previously neglected but important implant parameters such as native oxide layers, wafer temperature, beam divergence, tilt angle, rotation (twist) angle, and dose, in addition to energy. This model uses as its foundation the MARLOWE Monte Carlo simulation code developed at Oak Ridge National Laboratory for the analysis of radiation effects in materials. This code was carefully adapted for the simulation of ion implantation, and a number of significant improvements have been made, including the addition of atomic pair specific interatomic potentials, the implementation of a newly developed local electron concentration dependent electronic stopping model, and the implementation of a newly developed cumulative damage model. This improved version of the code, known as UT-MARLOWE, allows boron implantation profiles to be accurately predicted as a function of energy, tilt angle, rotation angle, and dose. This code has also been used in the development and implementation of an accurate and efficient two-dimensional boron implantation model

Beam neutron energy optimization for boron neutron capture therapy using monte Carlo method

International Nuclear Information System (INIS)

Pazirandeh, A.; Shekarian, E.

2006-01-01

In last two decades the optimal neutron energy for the treatment of deep seated tumors in boron neutron capture therapy in view of neutron physics and chemical compounds of boron carrier has been under thorough study. Although neutron absorption cross section of boron is high (3836b), the treatment of deep seated tumors such as glioblastoma multiform requires beam of neutrons of higher energy that can penetrate deeply into the brain and thermalized in the proximity of the tumor. Dosage from recoil proton associated with fast neutrons however poses some constraints on maximum neutron energy that can be used in the treatment. For this reason neutrons in the epithermal energy range of 10eV-10keV are generally to be the most appropriate. The simulation carried out by Monte Carlo methods using MCBNCT and MCNP4C codes along with the cross section library in 290 groups extracted from ENDF/B6 main library. The ptimal neutron energy for deep seated tumors depends on the sue and depth of tumor. Our estimated optimized energy for the tumor of 5cm wide and 1-2cm thick stands at 5cm depth is in the range of 3-5keV

Alpha particle density and energy distributions in tandem mirrors using Monte-Carlo techniques

International Nuclear Information System (INIS)

Kerns, J.A.

1986-05-01

We have simulated the alpha thermalization process using a Monte-Carlo technique, in which the alpha guiding center is followed between simulated collisions and Spitzer's collision model is used for the alpha-plasma interaction. Monte-Carlo techniques are used to determine the alpha radial birth position, the alpha particle position at a collision, and the angle scatter and dispersion at a collision. The plasma is modeled as a hot reacting core, surrounded by a cold halo plasma (T approx.50 eV). Alpha orbits that intersect the halo lose 90% of their energy to the halo electrons because of the halo drag, which is ten times greater than the drag in the core. The uneven drag across the alpha orbit also produces an outward, radial, guiding center drift. This drag drift is dependent on the plasma density and temperature radial profiles. We have modeled these profiles and have specifically studied a single-scale-length model, in which the density scale length (r/sub pD/) equals the temperature scale length (r/sub pT/), and a two-scale-length model, in which r/sub pD//r/sub pT/ = 1.1

Exactly solvable energy-dependent potentials

International Nuclear Information System (INIS)

Garcia-Martinez, J.; Garcia-Ravelo, J.; Pena, J.J.; Schulze-Halberg, A.

2009-01-01

We introduce a method for constructing exactly-solvable Schroedinger equations with energy-dependent potentials. Our method is based on converting a general linear differential equation of second order into a Schroedinger equation with energy-dependent potential. Particular examples presented here include harmonic oscillator, Coulomb and Morse potentials with various types of energy dependence.

The Lund Monte Carlo programme for high energy interactions between hadrons and nuclei

International Nuclear Information System (INIS)

Nilsson-Almqvist, B.; Stenlund, E.

1985-07-01

In high energy hadron-nucleus and hadron-hadron collisions low Psub(T) is the dominating feature, not explained by QCD and related to quark confinement. Nevertheless QCD inspired formulations have been used to explain low Psub(T) interactions. Experimentally observed features like cascades are still not fully explained and we do not know when and in what way the hadronization take place. We present a Monte Carlo programme for ultra relativistic nucleus-nucleus interactions where we let the projectile nucleon rescatter inside the target nucleus, get excited and then fragment according to the Lund fragmentation scheme for particle production. (Author)

Monte Carlo simulations of the cellular S-value, lineal energy and RBE for BNCT

International Nuclear Information System (INIS)

Liu Chingsheng; Tung Chuanjong

2006-01-01

Due to the non-uniform uptake of boron-containing pharmaceuticals in cells and the short-ranged alpha and lithium particles, microdosimetry provides useful information on the cellular dose and response of boron neutron capture therapy (BNCT). Radiation dose and quality in BNCT may be expressed in terms of the cellular S-value and the lineal energy spectrum. In the present work, Monte Carlo simulations were performed to calculate these microdosimetric parameters for different source-target configurations and sizes in cells. The effective relative biological effectiveness (RBE) of the Tsing Hua Open-pool Reactor (THOR) epithermal neutron beam was evaluated using biological weighting functions that depended on the lineal energy. RBE changes with source-target configurations and sizes were analyzed. (author)

Transport methods: general. 1. The Analytical Monte Carlo Method for Radiation Transport Calculations

International Nuclear Information System (INIS)

Martin, William R.; Brown, Forrest B.

2001-01-01

We present an alternative Monte Carlo method for solving the coupled equations of radiation transport and material energy. This method is based on incorporating the analytical solution to the material energy equation directly into the Monte Carlo simulation for the radiation intensity. This method, which we call the Analytical Monte Carlo (AMC) method, differs from the well known Implicit Monte Carlo (IMC) method of Fleck and Cummings because there is no discretization of the material energy equation since it is solved as a by-product of the Monte Carlo simulation of the transport equation. Our method also differs from the method recently proposed by Ahrens and Larsen since they use Monte Carlo to solve both equations, while we are solving only the radiation transport equation with Monte Carlo, albeit with effective sources and cross sections to represent the emission sources. Our method bears some similarity to a method developed and implemented by Carter and Forest nearly three decades ago, but there are substantive differences. We have implemented our method in a simple zero-dimensional Monte Carlo code to test the feasibility of the method, and the preliminary results are very promising, justifying further extension to more realistic geometries. (authors)

MCNP-X Monte Carlo Code Application for Mass Attenuation Coefficients of Concrete at Different Energies by Modeling 3 × 3 Inch NaI(Tl Detector and Comparison with XCOM and Monte Carlo Data

Directory of Open Access Journals (Sweden)

Huseyin Ozan Tekin

2016-01-01

Full Text Available Gamma-ray measurements in various research fields require efficient detectors. One of these research fields is mass attenuation coefficients of different materials. Apart from experimental studies, the Monte Carlo (MC method has become one of the most popular tools in detector studies. An NaI(Tl detector has been modeled, and, for a validation study of the modeled NaI(Tl detector, the absolute efficiency of 3 × 3 inch cylindrical NaI(Tl detector has been calculated by using the general purpose Monte Carlo code MCNP-X (version 2.4.0 and compared with previous studies in literature in the range of 661–2620 keV. In the present work, the applicability of MCNP-X Monte Carlo code for mass attenuation of concrete sample material as building material at photon energies 59.5 keV, 80 keV, 356 keV, 661.6 keV, 1173.2 keV, and 1332.5 keV has been tested by using validated NaI(Tl detector. The mass attenuation coefficients of concrete sample have been calculated. The calculated results agreed well with experimental and some other theoretical results. The results specify that this process can be followed to determine the data on the attenuation of gamma-rays with other required energies in other materials or in new complex materials. It can be concluded that data from Monte Carlo is a strong tool not only for efficiency studies but also for mass attenuation coefficients calculations.

Statistical implications in Monte Carlo depletions - 051

International Nuclear Information System (INIS)

Zhiwen, Xu; Rhodes, J.; Smith, K.

2010-01-01

As a result of steady advances of computer power, continuous-energy Monte Carlo depletion analysis is attracting considerable attention for reactor burnup calculations. The typical Monte Carlo analysis is set up as a combination of a Monte Carlo neutron transport solver and a fuel burnup solver. Note that the burnup solver is a deterministic module. The statistical errors in Monte Carlo solutions are introduced into nuclide number densities and propagated along fuel burnup. This paper is towards the understanding of the statistical implications in Monte Carlo depletions, including both statistical bias and statistical variations in depleted fuel number densities. The deterministic Studsvik lattice physics code, CASMO-5, is modified to model the Monte Carlo depletion. The statistical bias in depleted number densities is found to be negligible compared to its statistical variations, which, in turn, demonstrates the correctness of the Monte Carlo depletion method. Meanwhile, the statistical variation in number densities generally increases with burnup. Several possible ways of reducing the statistical errors are discussed: 1) to increase the number of individual Monte Carlo histories; 2) to increase the number of time steps; 3) to run additional independent Monte Carlo depletion cases. Finally, a new Monte Carlo depletion methodology, called the batch depletion method, is proposed, which consists of performing a set of independent Monte Carlo depletions and is thus capable of estimating the overall statistical errors including both the local statistical error and the propagated statistical error. (authors)

Improved Interaction Potentials for Charged Residues in Proteins

DEFF Research Database (Denmark)

Kepp, Kasper Planeta

2008-01-01

Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self-consistent, exper......Electrostatic interactions dominate the structure and free energy of biomolecules. To obtain accurate free energies involving charged groups from molecular simulations, OPLS-AA parameters have been reoptimized using Monte Carlo free energy perturbation. New parameters fit a self......, TIP4P or TIP3P; i.e., each water model requires specific water-charged molecule interaction potentials. New models (models 1 and 3) are thus described for both water models. Uncertainties in relative free energies of charged residues are ~2 kcal/mol with the new parameters, due to variations in system...

Monte Carlo codes and Monte Carlo simulator program

International Nuclear Information System (INIS)

Higuchi, Kenji; Asai, Kiyoshi; Suganuma, Masayuki.

1990-03-01

Four typical Monte Carlo codes KENO-IV, MORSE, MCNP and VIM have been vectorized on VP-100 at Computing Center, JAERI. The problems in vector processing of Monte Carlo codes on vector processors have become clear through the work. As the result, it is recognized that these are difficulties to obtain good performance in vector processing of Monte Carlo codes. A Monte Carlo computing machine, which processes the Monte Carlo codes with high performances is being developed at our Computing Center since 1987. The concept of Monte Carlo computing machine and its performance have been investigated and estimated by using a software simulator. In this report the problems in vectorization of Monte Carlo codes, Monte Carlo pipelines proposed to mitigate these difficulties and the results of the performance estimation of the Monte Carlo computing machine by the simulator are described. (author)

Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulations

International Nuclear Information System (INIS)

Orkoulas, G.; Panagiotopoulos, A.Z.

1994-01-01

In this work, we investigate the liquid--vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We compute the chemical potential for the restricted primitive model as a function of temperature and density from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve is in agreement with recent results of Caillol obtained on the four-dimensional hypersphere and our own earlier Gibbs ensemble simulations with single-ion transfers, with the exception of the critical temperature, which is lower in the current calculations. Our best estimates for the critical parameters are T * c =0.053, ρ * c =0.025. We conclude with possible future applications of the biased techniques developed here for phase equilibrium calculations for ionic fluids

Antiferroelectric polarization switching and dynamic scaling of energy storage: A Monte Carlo simulation

Science.gov (United States)

Huang, B. Y.; Lu, Z. X.; Zhang, Y.; Xie, Y. L.; Zeng, M.; Yan, Z. B.; Liu, J.-M.

2016-05-01

The polarization-electric field hysteresis loops and the dynamics of polarization switching in a two-dimensional antiferroelectric (AFE) lattice submitted to a time-oscillating electric field E(t) of frequency f and amplitude E0, is investigated using Monte Carlo simulation based on the Landau-Devonshire phenomenological theory on antiferroelectrics. It is revealed that the AFE double-loop hysteresis area A, i.e., the energy loss in one cycle of polarization switching, exhibits the single-peak frequency dispersion A(f), suggesting the unique characteristic time for polarization switching, which is independent of E0 as long as E0 is larger than the quasi-static coercive field for the antiferroelectric-ferroelectric transitions. However, the dependence of recoverable stored energy W on amplitude E0 seems to be complicated depending on temperature T and frequency f. A dynamic scaling behavior of the energy loss dispersion A(f) over a wide range of E0 is obtained, confirming the unique characteristic time for polarization switching of an AFE lattice. The present simulation may shed light on the dynamics of energy storage and release in AFE thin films.

Temperature variance study in Monte-Carlo photon transport theory

International Nuclear Information System (INIS)

Giorla, J.

1985-10-01

We study different Monte-Carlo methods for solving radiative transfer problems, and particularly Fleck's Monte-Carlo method. We first give the different time-discretization schemes and the corresponding stability criteria. Then we write the temperature variance as a function of the variances of temperature and absorbed energy at the previous time step. Finally we obtain some stability criteria for the Monte-Carlo method in the stationary case [fr

Vectorized Monte Carlo

International Nuclear Information System (INIS)

Brown, F.B.

1981-01-01

Examination of the global algorithms and local kernels of conventional general-purpose Monte Carlo codes shows that multigroup Monte Carlo methods have sufficient structure to permit efficient vectorization. A structured multigroup Monte Carlo algorithm for vector computers is developed in which many particle events are treated at once on a cell-by-cell basis. Vectorization of kernels for tracking and variance reduction is described, and a new method for discrete sampling is developed to facilitate the vectorization of collision analysis. To demonstrate the potential of the new method, a vectorized Monte Carlo code for multigroup radiation transport analysis was developed. This code incorporates many features of conventional general-purpose production codes, including general geometry, splitting and Russian roulette, survival biasing, variance estimation via batching, a number of cutoffs, and generalized tallies of collision, tracklength, and surface crossing estimators with response functions. Predictions of vectorized performance characteristics for the CYBER-205 were made using emulated coding and a dynamic model of vector instruction timing. Computation rates were examined for a variety of test problems to determine sensitivities to batch size and vector lengths. Significant speedups are predicted for even a few hundred particles per batch, and asymptotic speedups by about 40 over equivalent Amdahl 470V/8 scalar codes arepredicted for a few thousand particles per batch. The principal conclusion is that vectorization of a general-purpose multigroup Monte Carlo code is well worth the significant effort required for stylized coding and major algorithmic changes

Efficient methods for including quantum effects in Monte Carlo calculations of large systems: extension of the displaced points path integral method and other effective potential methods to calculate properties and distributions.

Science.gov (United States)

Mielke, Steven L; Dinpajooh, Mohammadhasan; Siepmann, J Ilja; Truhlar, Donald G

2013-01-07

We present a procedure to calculate ensemble averages, thermodynamic derivatives, and coordinate distributions by effective classical potential methods. In particular, we consider the displaced-points path integral (DPPI) method, which yields exact quantal partition functions and ensemble averages for a harmonic potential and approximate quantal ones for general potentials, and we discuss the implementation of the new procedure in two Monte Carlo simulation codes, one that uses uncorrelated samples to calculate absolute free energies, and another that employs Metropolis sampling to calculate relative free energies. The results of the new DPPI method are compared to those from accurate path integral calculations as well as to results of two other effective classical potential schemes for the case of an isolated water molecule. In addition to the partition function, we consider the heat capacity and expectation values of the energy, the potential energy, the bond angle, and the OH distance. We also consider coordinate distributions. The DPPI scheme performs best among the three effective potential schemes considered and achieves very good accuracy for all of the properties considered. A key advantage of the effective potential schemes is that they display much lower statistical sampling variances than those for accurate path integral calculations. The method presented here shows great promise for including quantum effects in calculations on large systems.

Monte Carlo electron/photon transport

International Nuclear Information System (INIS)

Mack, J.M.; Morel, J.E.; Hughes, H.G.

1985-01-01

A review of nonplasma coupled electron/photon transport using Monte Carlo method is presented. Remarks are mainly restricted to linerarized formalisms at electron energies from 1 keV to 1000 MeV. Applications involving pulse-height estimation, transport in external magnetic fields, and optical Cerenkov production are discussed to underscore the importance of this branch of computational physics. Advances in electron multigroup cross-section generation is reported, and its impact on future code development assessed. Progress toward the transformation of MCNP into a generalized neutral/charged-particle Monte Carlo code is described. 48 refs

A monte carlo simulation model for the steady-state plasma in the scrape-off layer

International Nuclear Information System (INIS)

Wang, W.X.; Okamoto, M.; Nakajima, N.; Murakami, S.; Ohyabu, N.

1995-12-01

A new Monte Carlo simulation model for the scrape-off layer (SOL) plasma is proposed to investigate a feasibility of so-called 'high temperature divertor operation'. In the model, Coulomb collision effect is accurately described by a nonlinear Monte Carlo collision operator; a conductive heat flux into the SOL is effectively modelled via randomly exchanging the source particles and SOL particles; secondary electrons are included. The steady state of the SOL plasma, which satisfies particle and energy balances and the neutrality constraint, is determined in terms of total particle and heat fluxes across the separatrix, the edge plasma temperature, the secondary electron emission rate, and the SOL size. The model gives gross features of the SOL such as plasma temperatures and densities, the total sheath potential drop, and the sheath energy transmission factor. The simulations are performed for collisional SOL plasma to confirm the validity of the proposed model. It is found that the potential drop and the electron energy transmission factor are in close agreement with theoretical predictions. The present model can provide primarily useful information for collisionless SOL plasma which is difficult to be understood analytically. (author)

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

International Nuclear Information System (INIS)

Brown, Forrest B.; Univ. of New Mexico, Albuquerque, NM

2016-01-01

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. These lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations

Monte Carlo Techniques for Nuclear Systems - Theory Lectures

Energy Technology Data Exchange (ETDEWEB)

Brown, Forrest B. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Monte Carlo Methods, Codes, and Applications Group; Univ. of New Mexico, Albuquerque, NM (United States). Nuclear Engineering Dept.

2016-11-29

These are lecture notes for a Monte Carlo class given at the University of New Mexico. The following topics are covered: course information; nuclear eng. review & MC; random numbers and sampling; computational geometry; collision physics; tallies and statistics; eigenvalue calculations I; eigenvalue calculations II; eigenvalue calculations III; variance reduction; parallel Monte Carlo; parameter studies; fission matrix and higher eigenmodes; doppler broadening; Monte Carlo depletion; HTGR modeling; coupled MC and T/H calculations; fission energy deposition. Solving particle transport problems with the Monte Carlo method is simple - just simulate the particle behavior. The devil is in the details, however. These lectures provide a balanced approach to the theory and practice of Monte Carlo simulation codes. The first lectures provide an overview of Monte Carlo simulation methods, covering the transport equation, random sampling, computational geometry, collision physics, and statistics. The next lectures focus on the state-of-the-art in Monte Carlo criticality simulations, covering the theory of eigenvalue calculations, convergence analysis, dominance ratio calculations, bias in Keff and tallies, bias in uncertainties, a case study of a realistic calculation, and Wielandt acceleration techniques. The remaining lectures cover advanced topics, including HTGR modeling and stochastic geometry, temperature dependence, fission energy deposition, depletion calculations, parallel calculations, and parameter studies. This portion of the class focuses on using MCNP to perform criticality calculations for reactor physics and criticality safety applications. It is an intermediate level class, intended for those with at least some familiarity with MCNP. Class examples provide hands-on experience at running the code, plotting both geometry and results, and understanding the code output. The class includes lectures & hands-on computer use for a variety of Monte Carlo calculations

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

International Nuclear Information System (INIS)

Christensen, H. M.; Jake, L. C.; Curotto, E.

2016-01-01

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n–dipoles clusters in the n = 8–20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.

Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters

Energy Technology Data Exchange (ETDEWEB)

Christensen, H. M.; Jake, L. C.; Curotto, E., E-mail: curotto@arcadia.edu [Department of Chemistry and Physics, Arcadia University, Glenside, Pennsylvania 19038-3295 (United States)

2016-05-07

In a recent investigation [K. Roberts et al., J. Chem. Phys. 136, 074104 (2012)], we have shown that, for a sufficiently complex potential, the Diffusion Monte Carlo (DMC) random walk can become quasiergodic, and we have introduced smart darting-like moves to improve the sampling. In this article, we systematically characterize the bias that smart darting moves introduce in the estimate of the ground state energy of a bosonic system. We then test a simple approach to eliminate completely such bias from the results. The approach is applied for the determination of the ground state of lithium ion-n–dipoles clusters in the n = 8–20 range. For these, the smart darting diffusion Monte Carlo simulations find the same ground state energy and mixed-distribution as the traditional approach for n < 14. In larger systems we find that while the ground state energies agree quantitatively with or without smart darting moves, the mixed-distributions can be significantly different. Some evidence is offered to conclude that introducing smart darting-like moves in traditional DMC simulations may produce a more reliable ground state mixed-distribution.

Multi-criteria ranking of energy generation scenarios with Monte Carlo simulation

International Nuclear Information System (INIS)

Baležentis, Tomas; Streimikiene, Dalia

2017-01-01

Highlights: • Two advanced optimization models were applied for EU energy policy scenarios development. • Several advanced MCDA were applied for energy policy scenarios ranking: WASPAS, ARAS, TOPSIS. • A Monte Carlo simulation was applied for sensitivity analysis of scenarios ranking. • New policy insights in terms of energy scenarios forecasting were provided based on research conducted. - Abstract: Integrated Assessment Models (IAMs) are omnipresent in energy policy analysis. Even though IAMs can successfully handle uncertainty pertinent to energy planning problems, they render multiple variables as outputs of the modelling. Therefore, policy makers are faced with multiple energy development scenarios and goals. Specifically, technical, environmental, and economic aspects are represented by multiple criteria, which, in turn, are related to conflicting objectives. Preferences of decision makers need to be taken into account in order to facilitate effective energy planning. Multi-criteria decision making (MCDM) tools are relevant in aggregating diverse information and thus comparing alternative energy planning options. The paper aims at ranking European Union (EU) energy development scenarios based on several IAMs with respect to multiple criteria. By doing so, we account for uncertainty surrounding policy priorities outside the IAM. In order to follow a sustainable approach, the ranking of policy options is based on EU energy policy priorities: energy efficiency improvements, increased use of renewables, reduction in and low mitigations costs of GHG emission. The ranking of scenarios is based on the estimates rendered by the two advanced IAMs relying on different approaches, namely TIAM and WITCH. The data are fed into the three MCDM techniques: the method of weighted aggregated sum/product assessment (WASPAS), the Additive Ratio Assessment (ARAS) method, and technique for order preference by similarity to ideal solution (TOPSIS). As MCDM techniques allow

Burnup calculations using Monte Carlo method

International Nuclear Information System (INIS)

Ghosh, Biplab; Degweker, S.B.

2009-01-01

In the recent years, interest in burnup calculations using Monte Carlo methods has gained momentum. Previous burn up codes have used multigroup transport theory based calculations followed by diffusion theory based core calculations for the neutronic portion of codes. The transport theory methods invariably make approximations with regard to treatment of the energy and angle variables involved in scattering, besides approximations related to geometry simplification. Cell homogenisation to produce diffusion, theory parameters adds to these approximations. Moreover, while diffusion theory works for most reactors, it does not produce accurate results in systems that have strong gradients, strong absorbers or large voids. Also, diffusion theory codes are geometry limited (rectangular, hexagonal, cylindrical, and spherical coordinates). Monte Carlo methods are ideal to solve very heterogeneous reactors and/or lattices/assemblies in which considerable burnable poisons are used. The key feature of this approach is that Monte Carlo methods permit essentially 'exact' modeling of all geometrical detail, without resort to ene and spatial homogenization of neutron cross sections. Monte Carlo method would also be better for in Accelerator Driven Systems (ADS) which could have strong gradients due to the external source and a sub-critical assembly. To meet the demand for an accurate burnup code, we have developed a Monte Carlo burnup calculation code system in which Monte Carlo neutron transport code is coupled with a versatile code (McBurn) for calculating the buildup and decay of nuclides in nuclear materials. McBurn is developed from scratch by the authors. In this article we will discuss our effort in developing the continuous energy Monte Carlo burn-up code, McBurn. McBurn is intended for entire reactor core as well as for unit cells and assemblies. Generally, McBurn can do burnup of any geometrical system which can be handled by the underlying Monte Carlo transport code

Importance iteration in MORSE Monte Carlo calculations

International Nuclear Information System (INIS)

Kloosterman, J.L.; Hoogenboom, J.E.

1994-01-01

An expression to calculate point values (the expected detector response of a particle emerging from a collision or the source) is derived and implemented in the MORSE-SGC/S Monte Carlo code. It is outlined how these point values can be smoothed as a function of energy and as a function of the optical thickness between the detector and the source. The smoothed point values are subsequently used to calculate the biasing parameters of the Monte Carlo runs to follow. The method is illustrated by an example that shows that the obtained biasing parameters lead to a more efficient Monte Carlo calculation

Importance iteration in MORSE Monte Carlo calculations

International Nuclear Information System (INIS)

Kloosterman, J.L.; Hoogenboom, J.E.

1994-02-01

An expression to calculate point values (the expected detector response of a particle emerging from a collision or the source) is derived and implemented in the MORSE-SGC/S Monte Carlo code. It is outlined how these point values can be smoothed as a function of energy and as a function of the optical thickness between the detector and the source. The smoothed point values are subsequently used to calculate the biasing parameters of the Monte Carlo runs to follow. The method is illustrated by an example, which shows that the obtained biasing parameters lead to a more efficient Monte Carlo calculation. (orig.)

Comparison of Bonner sphere responses calculated by different Monte Carlo codes at energies between 1 MeV and 1 GeV – Potential impact on neutron dosimetry at energies higher than 20 MeV

CERN Document Server

Rühm, W; Pioch, C; Agosteo, S; Endo, A; Ferrarini, M; Rakhno, I; Rollet, S; Satoh, D; Vincke, H

2014-01-01

Bonner Spheres Spectrometry in its high-energy extended version is an established method to quantify neutrons at a wide energy range from several meV up to more than 1 GeV. In order to allow for quantitative measurements, the responses of the various spheres used in a Bonner Sphere Spectrometer (BSS) are usually simulated by Monte Carlo (MC) codes over the neutron energy range of interest. Because above 20 MeV experimental cross section data are scarce, intra-nuclear cascade (INC) and evaporation models are applied in these MC codes. It was suspected that this lack of data above 20 MeV may translate to differences in simulated BSS response functions depending on the MC code and nuclear models used, which in turn may add to the uncertainty involved in Bonner Sphere Spectrometry, in particular for neutron energies above 20 MeV. In order to investigate this issue in a systematic way, EURADOS (European Radiation Dosimetry Group) initiated an exercise where six groups having experience in neutron transport calcula...

Monte Carlo alpha calculation

Energy Technology Data Exchange (ETDEWEB)

Brockway, D.; Soran, P.; Whalen, P.

1985-01-01

A Monte Carlo algorithm to efficiently calculate static alpha eigenvalues, N = ne/sup ..cap alpha..t/, for supercritical systems has been developed and tested. A direct Monte Carlo approach to calculating a static alpha is to simply follow the buildup in time of neutrons in a supercritical system and evaluate the logarithmic derivative of the neutron population with respect to time. This procedure is expensive, and the solution is very noisy and almost useless for a system near critical. The modified approach is to convert the time-dependent problem to a static ..cap alpha../sup -/eigenvalue problem and regress ..cap alpha.. on solutions of a/sup -/ k/sup -/eigenvalue problem. In practice, this procedure is much more efficient than the direct calculation, and produces much more accurate results. Because the Monte Carlo codes are intrinsically three-dimensional and use elaborate continuous-energy cross sections, this technique is now used as a standard for evaluating other calculational techniques in odd geometries or with group cross sections.

Determination of fast neutrons energy spectra by Monte-Carlo Method

International Nuclear Information System (INIS)

Chetaine, A.

1986-01-01

Two computation codes based on the Monte-Carlo method are established for studying the spectrometry of neutrons with 14 Mev as initial energy. The spectra are determined, on one hand, around a neutron generator Ti-T target and, on the other hand, in a big paraffin cylinder. One code allows to determine the spectrum of neutrons irradiating the sample at various distances from the Ti-T target versus accelerator parameters: high voltage, atomic or molecular nature of deuterons beam, target thickness and materials surrounding the target. The other code determines neutron spectra at various positions inside and outside the 30 x 30 cm paraffin cylinder. The validity of the procedure used in these codes is verified by determining the spectrum of neutrons crossing a big surface, using the procedure in question and using direct simulation method. The biasing procedure used in the two codes permits to have results with good statistics from a reduced number of drawings. 70 figs.; 62 refs.; 1 tab. (author)

New Approaches and Applications for Monte Carlo Perturbation Theory

Energy Technology Data Exchange (ETDEWEB)

Aufiero, Manuele; Bidaud, Adrien; Kotlyar, Dan; Leppänen, Jaakko; Palmiotti, Giuseppe; Salvatores, Massimo; Sen, Sonat; Shwageraus, Eugene; Fratoni, Massimiliano

2017-02-01

This paper presents some of the recent and new advancements in the extension of Monte Carlo Perturbation Theory methodologies and application. In particular, the discussed problems involve Brunup calculation, perturbation calculation based on continuous energy functions, and Monte Carlo Perturbation Theory in loosely coupled systems.

Low energy and high energy dumps for ELI-NP accelerator facility: rational and Monte-Carlo calculations - results

Science.gov (United States)

Esposito, A.; Frasciello, O.; Pelliccioni, M.

2017-09-01

ELI-NP will be a new international research infrastructure facility for laser-based Nuclear Physics to be built in Magurele, south west of Bucharest, Romania. For the machine to operate as an intense γ rays' source based on Compton back-scattering, electron beams are employed, undergoing a two stage acceleration to 320 MeV and 740 MeV (and, with an eventual energy upgrade, also to 840 MeV) beam energies. In order to assess the radiation safety issues, concerning the effectiveness of the dumps in absorbing the primary electron beams, the generated prompt radiation field and the residual dose rates coming from the activation of constituent materials, as well as the shielding of the adjacent environments against both prompt and residual radiation fields, an extensive design study by means of Monte Carlo simulations with FLUKA code was performed, for both low energy 320 MeV and high energy 720 MeV (840 MeV) beam dumps. For the low energy dump we discuss also the rational of the choice to place it in the building basement, instead of installing it in one of the shielding wall at the machine level, as it was originally conceived. Ambient dose equivalent rate constraints, according to the Rumenian law in force in radiation protection matter were 0.1 /iSv/h everywhere outside the shielding walls and 1.4 μiSv/h outside the high energy dump area. The dumps' placements and layouts are shown to be fully compliant with the dose constraints and environmental impact.

Quest for precision in hadronic cross sections at low energy: Monte Carlo tools vs. experimental data

Energy Technology Data Exchange (ETDEWEB)

Actis, S [Paul-Scherrer-Institute Wuerenlingen and Villigen, Villigen (Switzerland); Arbuzov, A [Joint Institute for Nuclear Research, Dubna (Russian Federation). Bogoliubov Lab. of Theoretical Physics; Balossini, G [Pavia Univ. (Italy). Dipt. di Fisica Nucleare e Teorica; INFN, Pavia [IT; and others

2009-12-15

We present the achievements of the last years of the experimental and theoretical groups working on hadronic cross section measurements at the low energy e{sup +}e{sup -} colliders in Beijing, Frascati, Ithaca, Novosibirsk, Stanford and Tsukuba and on {tau} decays. We sketch the prospects in these fields for the years to come. We emphasise the status and the precision of the Monte Carlo generators used to analyse the hadronic cross section measurements obtained as well with energy scans as with radiative return, to determine luminosities and {tau} decays. The radiative corrections fully or approximately implemented in the various codes and the contribution of the vacuum polarisation are discussed. (orig.)

Quest for precision in hadronic cross sections at low energy: Monte Carlo tools vs. experimental data

International Nuclear Information System (INIS)

Actis, S.; Arbuzov, A.

2009-12-01

We present the achievements of the last years of the experimental and theoretical groups working on hadronic cross section measurements at the low energy e + e - colliders in Beijing, Frascati, Ithaca, Novosibirsk, Stanford and Tsukuba and on τ decays. We sketch the prospects in these fields for the years to come. We emphasise the status and the precision of the Monte Carlo generators used to analyse the hadronic cross section measurements obtained as well with energy scans as with radiative return, to determine luminosities and τ decays. The radiative corrections fully or approximately implemented in the various codes and the contribution of the vacuum polarisation are discussed. (orig.)

Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials.

Science.gov (United States)

Kim, Jihan; Smit, Berend

2012-07-10

Monte Carlo (MC) simulations are commonly used to obtain adsorption properties of gas molecules inside porous materials. In this work, we discuss various optimization strategies that lead to faster MC simulations with CO2 gas molecules inside host zeolite structures used as a test system. The reciprocal space contribution of the gas-gas Ewald summation and both the direct and the reciprocal gas-host potential energy interactions are stored inside energy grids to reduce the wall time in the MC simulations. Additional speedup can be obtained by selectively calling the routine that computes the gas-gas Ewald summation, which does not impact the accuracy of the zeolite's adsorption characteristics. We utilize two-level density-biased sampling technique in the grand canonical Monte Carlo (GCMC) algorithm to restrict CO2 insertion moves into low-energy regions within the zeolite materials to accelerate convergence. Finally, we make use of the graphics processing units (GPUs) hardware to conduct multiple MC simulations in parallel via judiciously mapping the GPU threads to available workload. As a result, we can obtain a CO2 adsorption isotherm curve with 14 pressure values (up to 10 atm) for a zeolite structure within a minute of total compute wall time.

Energy dispersive X-ray fluorescence spectroscopy/Monte Carlo simulation approach for the non-destructive analysis of corrosion patina-bearing alloys in archaeological bronzes: The case of the bowl from the Fareleira 3 site (Vidigueira, South Portugal)

Energy Technology Data Exchange (ETDEWEB)

Bottaini, C. [Hercules Laboratory, University of Évora, Palacio do Vimioso, Largo Marquês de Marialva 8, 7000-809 Évora (Portugal); Mirão, J. [Hercules Laboratory, University of Évora, Palacio do Vimioso, Largo Marquês de Marialva 8, 7000-809 Évora (Portugal); Évora Geophysics Centre, Rua Romão Ramalho 59, 7000 Évora (Portugal); Figuereido, M. [Archaeologist — Monte da Capelinha, Apartado 54, 7005, São Miguel de Machede, Évora (Portugal); Candeias, A. [Hercules Laboratory, University of Évora, Palacio do Vimioso, Largo Marquês de Marialva 8, 7000-809 Évora (Portugal); Évora Chemistry Centre, Rua Romão Ramalho 59, 7000 Évora (Portugal); Brunetti, A. [Department of Political Science and Communication, University of Sassari, Via Piandanna 2, 07100 Sassari (Italy); Schiavon, N., E-mail: schiavon@uevora.pt [Hercules Laboratory, University of Évora, Palacio do Vimioso, Largo Marquês de Marialva 8, 7000-809 Évora (Portugal); Évora Geophysics Centre, Rua Romão Ramalho 59, 7000 Évora (Portugal)

2015-01-01

Energy dispersive X-ray fluorescence (EDXRF) is a well-known technique for non-destructive and in situ analysis of archaeological artifacts both in terms of the qualitative and quantitative elemental composition because of its rapidity and non-destructiveness. In this study EDXRF and realistic Monte Carlo simulation using the X-ray Monte Carlo (XRMC) code package have been combined to characterize a Cu-based bowl from the Iron Age burial from Fareleira 3 (Southern Portugal). The artifact displays a multilayered structure made up of three distinct layers: a) alloy substrate; b) green oxidized corrosion patina; and c) brownish carbonate soil-derived crust. To assess the reliability of Monte Carlo simulation in reproducing the composition of the bulk metal of the objects without recurring to potentially damaging patina's and crust's removal, portable EDXRF analysis was performed on cleaned and patina/crust coated areas of the artifact. Patina has been characterized by micro X-ray Diffractometry (μXRD) and Back-Scattered Scanning Electron Microscopy + Energy Dispersive Spectroscopy (BSEM + EDS). Results indicate that the EDXRF/Monte Carlo protocol is well suited when a two-layered model is considered, whereas in areas where the patina + crust surface coating is too thick, X-rays from the alloy substrate are not able to exit the sample. - Highlights: • EDXRF/Monte Carlo simulation is used to characterize an archeological alloy. • EDXRF analysis was performed on cleaned and patina coated areas of the artifact. • EDXRF/Montes Carlo protocol is well suited when a two-layered model is considered. • When the patina is too thick, X-rays from substrate are unable to exit the sample.

The HepMC C++ Monte Carlo Event Record for High Energy Physics

CERN Document Server

Dobbs, M

2000-01-01

HepMC is an Object Oriented event record written in C++ for High Energy Physics Monte Carlo Event Generators. Many extensions from HEPEVT, the Fortran HEP standard, are supported: the number of entries is unlimited, spin density matrices can be stored with each vertex, flow patterns (such as colour) can be stored and traced, random number generator states can be stored, and an arbitrary number of event weights can be included. Particles and vertices are stored separately in a graph structure, reflecting the evolution of a physics event. The added information supports the modularisation of event generators. The event record has been kept as simple as possible with minimal internal/external dependencies. Event information is accessed by means of iterators supplied with HepMC.

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 

Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

Science.gov (United States)

Bettens, Ryan P A

2003-01-15

Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.

A contribution Monte Carlo method

International Nuclear Information System (INIS)

Aboughantous, C.H.

1994-01-01

A Contribution Monte Carlo method is developed and successfully applied to a sample deep-penetration shielding problem. The random walk is simulated in most of its parts as in conventional Monte Carlo methods. The probability density functions (pdf's) are expressed in terms of spherical harmonics and are continuous functions in direction cosine and azimuthal angle variables as well as in position coordinates; the energy is discretized in the multigroup approximation. The transport pdf is an unusual exponential kernel strongly dependent on the incident and emergent directions and energies and on the position of the collision site. The method produces the same results obtained with the deterministic method with a very small standard deviation, with as little as 1,000 Contribution particles in both analog and nonabsorption biasing modes and with only a few minutes CPU time

MVP/GMVP Version 3. General purpose Monte Carlo codes for neutron and photon transport calculations based on continuous energy and multigroup methods (Translated document)

International Nuclear Information System (INIS)

Nagaya, Yasunobu; Okumura, Keisuke; Sakurai, Takeshi; Mori, Takamasa

2017-03-01

In order to realize fast and accurate Monte Carlo simulation of neutron and photon transport problems, two Monte Carlo codes MVP (continuous-energy method) and GMVP (multigroup method) have been developed at Japan Atomic Energy Agency. The codes have adopted a vectorized algorithm and have been developed for vector-type supercomputers. They also support parallel processing with a standard parallelization library MPI and thus a speed-up of Monte Carlo calculations can be achieved on general computing platforms. The first and second versions of the codes were released in 1994 and 2005, respectively. They have been extensively improved and new capabilities have been implemented. The major improvements and new capabilities are as follows: (1) perturbation calculation for effective multiplication factor, (2) exact resonant elastic scattering model, (3) calculation of reactor kinetics parameters, (4) photo-nuclear model, (5) simulation of delayed neutrons, (6) generation of group constants. This report describes the physical model, geometry description method used in the codes, new capabilities and input instructions. (author)

A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs

Directory of Open Access Journals (Sweden)

Akila Gothandaraman

2010-01-01

Full Text Available Recent advances in Field-Programmable Gate Array (FPGA technology make reconfigurable computing using FPGAs an attractive platform for accelerating scientific applications. We develop a deeply pipelined and parallel architecture for Quantum Monte Carlo simulations using FPGAs. Quantum Monte Carlo simulations enable us to obtain the structural and energetic properties of atomic clusters. We experiment with different pipeline structures for each component of the design and develop a deeply pipelined architecture that provides the best performance in terms of achievable clock rate, while at the same time has a modest use of the FPGA resources. We discuss the details of the pipelined and generic architecture that is used to obtain the potential energy and wave function of a cluster of atoms.

Exact Monte Carlo for molecules

International Nuclear Information System (INIS)

Lester, W.A. Jr.; Reynolds, P.J.

1985-03-01

A brief summary of the fixed-node quantum Monte Carlo method is presented. Results obtained for binding energies, the classical barrier height for H + H 2 , and the singlet-triplet splitting in methylene are presented and discussed. 17 refs

Monte Carlo and Quasi-Monte Carlo Sampling

CERN Document Server

Lemieux, Christiane

2009-01-01

Presents essential tools for using quasi-Monte Carlo sampling in practice. This book focuses on issues related to Monte Carlo methods - uniform and non-uniform random number generation, variance reduction techniques. It covers several aspects of quasi-Monte Carlo methods.

Changes in dose with segmentation of breast tissues in Monte Carlo calculations for low-energy brachytherapy

International Nuclear Information System (INIS)

Sutherland, J. G. H.; Thomson, R. M.; Rogers, D. W. O.

2011-01-01

Purpose: To investigate the use of various breast tissue segmentation models in Monte Carlo dose calculations for low-energy brachytherapy. Methods: The EGSnrc user-code BrachyDose is used to perform Monte Carlo simulations of a breast brachytherapy treatment using TheraSeed Pd-103 seeds with various breast tissue segmentation models. Models used include a phantom where voxels are randomly assigned to be gland or adipose (randomly segmented), a phantom where a single tissue of averaged gland and adipose is present (averaged tissue), and a realistically segmented phantom created from previously published numerical phantoms. Radiation transport in averaged tissue while scoring in gland along with other combinations is investigated. The inclusion of calcifications in the breast is also studied in averaged tissue and randomly segmented phantoms. Results: In randomly segmented and averaged tissue phantoms, the photon energy fluence is approximately the same; however, differences occur in the dose volume histograms (DVHs) as a result of scoring in the different tissues (gland and adipose versus averaged tissue), whose mass energy absorption coefficients differ by 30%. A realistically segmented phantom is shown to significantly change the photon energy fluence compared to that in averaged tissue or randomly segmented phantoms. Despite this, resulting DVHs for the entire treatment volume agree reasonably because fluence differences are compensated by dose scoring differences. DVHs for the dose to only the gland voxels in a realistically segmented phantom do not agree with those for dose to gland in an averaged tissue phantom. Calcifications affect photon energy fluence to such a degree that the differences in fluence are not compensated for (as they are in the no calcification case) by dose scoring in averaged tissue phantoms. Conclusions: For low-energy brachytherapy, if photon transport and dose scoring both occur in an averaged tissue, the resulting DVH for the entire

Changes in dose with segmentation of breast tissues in Monte Carlo calculations for low-energy brachytherapy

Energy Technology Data Exchange (ETDEWEB)

Sutherland, J. G. H.; Thomson, R. M.; Rogers, D. W. O. [Carleton Laboratory for Radiotherapy Physics, Department of Physics, Carleton University, Ottawa K1S 5B6 (Canada)

2011-08-15

Purpose: To investigate the use of various breast tissue segmentation models in Monte Carlo dose calculations for low-energy brachytherapy. Methods: The EGSnrc user-code BrachyDose is used to perform Monte Carlo simulations of a breast brachytherapy treatment using TheraSeed Pd-103 seeds with various breast tissue segmentation models. Models used include a phantom where voxels are randomly assigned to be gland or adipose (randomly segmented), a phantom where a single tissue of averaged gland and adipose is present (averaged tissue), and a realistically segmented phantom created from previously published numerical phantoms. Radiation transport in averaged tissue while scoring in gland along with other combinations is investigated. The inclusion of calcifications in the breast is also studied in averaged tissue and randomly segmented phantoms. Results: In randomly segmented and averaged tissue phantoms, the photon energy fluence is approximately the same; however, differences occur in the dose volume histograms (DVHs) as a result of scoring in the different tissues (gland and adipose versus averaged tissue), whose mass energy absorption coefficients differ by 30%. A realistically segmented phantom is shown to significantly change the photon energy fluence compared to that in averaged tissue or randomly segmented phantoms. Despite this, resulting DVHs for the entire treatment volume agree reasonably because fluence differences are compensated by dose scoring differences. DVHs for the dose to only the gland voxels in a realistically segmented phantom do not agree with those for dose to gland in an averaged tissue phantom. Calcifications affect photon energy fluence to such a degree that the differences in fluence are not compensated for (as they are in the no calcification case) by dose scoring in averaged tissue phantoms. Conclusions: For low-energy brachytherapy, if photon transport and dose scoring both occur in an averaged tissue, the resulting DVH for the entire

Linear filtering applied to Monte Carlo criticality calculations

International Nuclear Information System (INIS)

Morrison, G.W.; Pike, D.H.; Petrie, L.M.

1975-01-01

A significant improvement in the acceleration of the convergence of the eigenvalue computed by Monte Carlo techniques has been developed by applying linear filtering theory to Monte Carlo calculations for multiplying systems. A Kalman filter was applied to a KENO Monte Carlo calculation of an experimental critical system consisting of eight interacting units of fissile material. A comparison of the filter estimate and the Monte Carlo realization was made. The Kalman filter converged in five iterations to 0.9977. After 95 iterations, the average k-eff from the Monte Carlo calculation was 0.9981. This demonstrates that the Kalman filter has the potential of reducing the calculational effort of multiplying systems. Other examples and results are discussed

Generalized-ensemble molecular dynamics and Monte Carlo algorithms beyond the limit of the multicanonical algorithm

International Nuclear Information System (INIS)

Okumura, Hisashi

2010-01-01

I review two new generalized-ensemble algorithms for molecular dynamics and Monte Carlo simulations of biomolecules, that is, the multibaric–multithermal algorithm and the partial multicanonical algorithm. In the multibaric–multithermal algorithm, two-dimensional random walks not only in the potential-energy space but also in the volume space are realized. One can discuss the temperature dependence and pressure dependence of biomolecules with this algorithm. The partial multicanonical simulation samples a wide range of only an important part of potential energy, so that one can concentrate the effort to determine a multicanonical weight factor only on the important energy terms. This algorithm has higher sampling efficiency than the multicanonical and canonical algorithms. (review)

Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of 235U

International Nuclear Information System (INIS)

Montoya, M.; Rojas, J.; Saettone, E.

2007-01-01

The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of 235 U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution (σ e (m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

Contributon Monte Carlo

International Nuclear Information System (INIS)

Dubi, A.; Gerstl, S.A.W.

1979-05-01

The contributon Monte Carlo method is based on a new recipe to calculate target responses by means of volume integral of the contributon current in a region between the source and the detector. A comprehensive description of the method, its implementation in the general-purpose MCNP code, and results of the method for realistic nonhomogeneous, energy-dependent problems are presented. 23 figures, 10 tables

Monte Carlo calculation of energy loss of hydrogen and helium ions transmitted under channelling conditions in silicon single crystal

International Nuclear Information System (INIS)

El Bounagui, O.; Erramli, H.

2010-01-01

In this work, we report on calculations of the electronic channelling energy loss of hydrogen and helium ions along Si and Si axial directions for the low energy range by using the Monte Carlo simulation code. Simulated and experimental data are compared for protons and He ions in the and axis of silicon. A reasonable agreement was found. Computer simulation was also employed to study the angular dependence of energy loss for 0.5, 0.8, 1, and 2 MeV channelled 4 He ions transmitted through a silicon crystal of 3 μm thickness along the axis.

Thermodynamic properties of water in confined environments: a Monte Carlo study

Science.gov (United States)

Gladovic, Martin; Bren, Urban; Urbic, Tomaž

2018-05-01

Monte Carlo simulations of Mercedes-Benz water in a crowded environment were performed. The simulated systems are representative of both composite, porous or sintered materials and living cells with typical matrix packings. We studied the influence of overall temperature as well as the density and size of matrix particles on water density, particle distributions, hydrogen bond formation and thermodynamic quantities. Interestingly, temperature and space occupancy of matrix exhibit a similar effect on water properties following the competition between the kinetic and the potential energy of the system, whereby temperature increases the kinetic and matrix packing decreases the potential contribution. A novel thermodynamic decomposition approach was applied to gain insight into individual contributions of different types of inter-particle interactions. This decomposition proved to be useful and in good agreement with the total thermodynamic quantities especially at higher temperatures and matrix packings, where higher-order potential-energy mixing terms lose their importance.

CASIM, High Energy Cascades in Shields of Arbitrary Geometry Using Monte-Carlo Method

International Nuclear Information System (INIS)

Van Ginneken, A.

1987-01-01

1 - Description of problem or function: CASIM is a Monte Carlo program to study the average development of high energy cascades in large targets (shields) of arbitrary geometry and composition. The program is best suited for incident energies in the range 20-1000 GeV. 2 - Method of solution: The simulation makes extensive use of weighting techniques to avoid difficulties encountered in sampling complicated distributions and to allow the user to introduce bias in the sampling. The program uses the particle production model (in the form of a set of inclusive distributions) to compute (a) star densities (i.e. nuclear interaction densities) as a function of location and particle type throughout the target. From these star densities, estimates of a number of quantities of radiobiological interest can be obtained; (b) momentum spectra of particles interacting in the shield also as a function of location and type; (c) energy deposited by the cascade. This quantity is a useful measure of target heating embedded in the target (ionization calorimeter). 3 - Restrictions on the complexity of the problem: The program does not study transport of low momentum particles (less than or equal to 0.3 GeV/c)

Wind energy potential in Bulgaria

International Nuclear Information System (INIS)

Shtrakov, Stanko Vl.

2009-01-01

In this study, wind characteristic and wind energy potential in Bulgaria were analyzed using the wind speed data. The wind energy potential at different sites in Bulgaria has been investigated by compiling data from different sources and analyzing it using a software tool. The wind speed distribution curves were obtained by using the Weibull and Rayleigh probability density functions. The results relating to wind energy potential are given in terms of the monthly average wind speed, wind speed probability density function (PDF), wind speed cumulative density function (CDF), and wind speed duration curve. A technical and economic assessment has been made of electricity generation from three wind turbines having capacity of (60, 200, and 500 kW). The yearly energy output capacity factor and the electrical energy cost of kWh produced by the three different turbines were calculated

Low energy and high energy dumps for ELI-NP accelerator facility: rational and Monte-Carlo calculationsș results

Directory of Open Access Journals (Sweden)

Esposito A.

2017-01-01

Full Text Available ELI-NP will be a new international research infrastructure facility for laser-based Nuclear Physics to be built in Magurele, south west of Bucharest, Romania. For the machine to operate as an intense γ rays’ source based on Compton back-scattering, electron beams are employed, undergoing a two stage acceleration to 320 MeV and 740 MeV (and, with an eventual energy upgrade, also to 840 MeV beam energies. In order to assess the radiation safety issues, concerning the effectiveness of the dumps in absorbing the primary electron beams, the generated prompt radiation field and the residual dose rates coming from the activation of constituent materials, as well as the shielding of the adjacent environments against both prompt and residual radiation fields, an extensive design study by means of Monte Carlo simulations with FLUKA code was performed, for both low energy 320 MeV and high energy 720 MeV (840 MeV beam dumps. For the low energy dump we discuss also the rational of the choice to place it in the building basement, instead of installing it in one of the shielding wall at the machine level, as it was originally conceived. Ambient dose equivalent rate constraints, according to the Rumenian law in force in radiation protection matter were 0.1 /iSv/h everywhere outside the shielding walls and 1.4 μiSv/h outside the high energy dump area. The dumps’ placements and layouts are shown to be fully compliant with the dose constraints and environmental impact.

Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches benchmarked by MP2 calculations

International Nuclear Information System (INIS)

Sahu, Nityananda; Gadre, Shridhar R.; Rakshit, Avijit; Bandyopadhyay, Pradipta; Miliordos, Evangelos; Xantheas, Sotiris S.

2014-01-01

We report new global minimum candidate structures for the (H 2 O) 25 cluster that are lower in energy than the ones reported previously and correspond to hydrogen bonded networks with 42 hydrogen bonds and an interior, fully coordinated water molecule. These were obtained as a result of a hierarchical approach based on initial Monte Carlo Temperature Basin Paving sampling of the cluster's Potential Energy Surface with the Effective Fragment Potential, subsequent geometry optimization using the Molecular Tailoring Approach with the fragments treated at the second order Møller-Plesset (MP2) perturbation (MTA-MP2) and final refinement of the entire cluster at the MP2 level of theory. The MTA-MP2 optimized cluster geometries, constructed from the fragments, were found to be within 2 O) 25 cluster. In addition, the grafting of the MTA-MP2 energies yields electronic energies that are within <0.3 kcal/mol from the MP2 energies of the entire cluster while preserving their energy rank order. Finally, the MTA-MP2 approach was found to reproduce the MP2 harmonic vibrational frequencies, constructed from the fragments, quite accurately when compared to the MP2 ones of the entire cluster in both the HOH bending and the OH stretching regions of the spectra

A Monte Carlo Code (PHOEL) for generating initial energies of photoelectrons and compton electrons produced by photons in water

International Nuclear Information System (INIS)

Turner, J.E.; Modolo, J.T.; Sordi, G.M.A.A.; Hamm, R.N.; Wright, H.A.

1979-01-01

PHOEL provides a source term for a Monte Carlo code which calculates the electron transport and energy degradation in liquid water. This code is used to study the relative biological effectiveness (RBE) of low-LET radiation at low doses. The basic numerical data used and their mathematical treatment are described as well as the operation of the code [pt

An efficient iterative grand canonical Monte Carlo algorithm to determine individual ionic chemical potentials in electrolytes.

Science.gov (United States)

Malasics, Attila; Boda, Dezso

2010-06-28

Two iterative procedures have been proposed recently to calculate the chemical potentials corresponding to prescribed concentrations from grand canonical Monte Carlo (GCMC) simulations. Both are based on repeated GCMC simulations with updated excess chemical potentials until the desired concentrations are established. In this paper, we propose combining our robust and fast converging iteration algorithm [Malasics, Gillespie, and Boda, J. Chem. Phys. 128, 124102 (2008)] with the suggestion of Lamperski [Mol. Simul. 33, 1193 (2007)] to average the chemical potentials in the iterations (instead of just using the chemical potentials obtained in the last iteration). We apply the unified method for various electrolyte solutions and show that our algorithm is more efficient if we use the averaging procedure. We discuss the convergence problems arising from violation of charge neutrality when inserting/deleting individual ions instead of neutral groups of ions (salts). We suggest a correction term to the iteration procedure that makes the algorithm efficient to determine the chemical potentials of individual ions too.

Monte carlo simulation of penetration range distribution of ion beam with low energy implanted in plant seeds

International Nuclear Information System (INIS)

Huang Xuchu; Hou Juan; Liu Xiaoyong

2009-01-01

The depth and density distribution of V + ion beam implanted into peanut seed is simulated by the Monte Carlo method. The action of ions implanted in plant seeds is studied by the classical collision theory of two objects, the electronic energy loss is calculated by Lindhard-Scharff formulation. The result indicates that the depth of 200keV V + implanted into peanut seed is 5.57μm, which agrees with experimental results, and the model is appropriate to describe this interaction. This paper provides a computational method for the depth and density distribution of ions with low energy implanted in plant seeds. (authors)

Monte Carlo simulation of a gas-sampled hadron calorimeter

Energy Technology Data Exchange (ETDEWEB)

Chang, C Y; Kunori, S; Rapp, P; Talaga, R; Steinberg, P; Tylka, A J; Wang, Z M

1988-02-15

A prototype of the OPAL barrel hadron calorimeter, which is a gas-sampled calorimeter using plastic streamer tubes, was exposed to pions at energies between 1 and 7 GeV. The response of the detector was simulated using the CERN GEANT3 Monte Carlo program. By using the observed high energy muon signals to deduce details of the streamer formation, the Monte Carlo program was able to reproduce the observed calorimeter response. The behavior of the hadron calorimeter when placed behind a lead glass electromagnetic calorimeter was also investigated.

The potential of biogas energy

International Nuclear Information System (INIS)

Acaroglu, M.; Hepbasli, A.; Kocar, G.

2005-01-01

Biogas technology has been known about for a long time, but in recent years the interest in it has significantly increased, especially due to the higher costs and the rapid depletion of fossil fuels as well as their environmental considerations. The main objective of the present study is to investigate the potential of biogas energy in the 15 European Union (EU) countries and in Turkey, which is seeking admission to the EU and is trying to meet EU environmental standards. Biogas energy potential of the 15 EU countries is estimated to be about 800 PJ. Besides this, Turkey's annual animal waste potential is obtained to be about 11.81 million tons with a biogas energy equivalent of 53.6 PJ. It is expected that this study will be helpful in developing highly applicable and productive planning for energy policies towards the optimum utilization of biogas energy. (author)

The Monte Carlo simulations of liquid crystal cell with bend distortions

International Nuclear Information System (INIS)

Zhou Xuan; Zhang Zhidong

2010-01-01

Strong anchoring nematic liquid crystal cell with bend distortions is studied, This liquid crystal cell has fast response in application prospects. The continuum theory has given that the surface elastic energy k 13 term causes surface discontinuities of the liquid crystal director. Study based on molecular theory, the pair potential parameters link directly to the surface elastic energy coefficient k 13 . The effect of finite temperature is studied by Monte Carlo simulation. The second rank ordering tensor is calculated, the largest eigenvalue gives the order parameter, and its corresponding eigenvector identifies the director in the continuum theory. It is shown that it doesn't present the surface discontinuities based on the molecular theory and the k 13 term in pair potential will increase the fluctuation in the middle of the cell. By inference, the boundary discontinuity caused by k 13 item in continuum theory is resulted from the neglecting of the higher items than the second rank of the elastic energy. (authors)

Igo - A Monte Carlo Code For Radiotherapy Planning

International Nuclear Information System (INIS)

Goldstein, M.; Regev, D.

1999-01-01

The goal of radiation therapy is to deliver a lethal dose to the tumor, while minimizing the dose to normal tissues and vital organs. To carry out this task, it is critical to calculate correctly the 3-D dose delivered. Monte Carlo transport methods (especially the Adjoint Monte Carlo have the potential to provide more accurate predictions of the 3-D dose the currently used methods. IG0 is a Monte Carlo code derived from the general Monte Carlo Program - MCNP, tailored specifically for calculating the effects of radiation therapy. This paper describes the IG0 transport code, the PIG0 interface and some preliminary results

Simultaneous fitting of a potential-energy surface and its corresponding force fields using feedforward neural networks

Science.gov (United States)

Pukrittayakamee, A.; Malshe, M.; Hagan, M.; Raff, L. M.; Narulkar, R.; Bukkapatnum, S.; Komanduri, R.

2009-04-01

An improved neural network (NN) approach is presented for the simultaneous development of accurate potential-energy hypersurfaces and corresponding force fields that can be utilized to conduct ab initio molecular dynamics and Monte Carlo studies on gas-phase chemical reactions. The method is termed as combined function derivative approximation (CFDA). The novelty of the CFDA method lies in the fact that although the NN has only a single output neuron that represents potential energy, the network is trained in such a way that the derivatives of the NN output match the gradient of the potential-energy hypersurface. Accurate force fields can therefore be computed simply by differentiating the network. Both the computed energies and the gradients are then accurately interpolated using the NN. This approach is superior to having the gradients appear in the output layer of the NN because it greatly simplifies the required architecture of the network. The CFDA permits weighting of function fitting relative to gradient fitting. In every test that we have run on six different systems, CFDA training (without a validation set) has produced smaller out-of-sample testing error than early stopping (with a validation set) or Bayesian regularization (without a validation set). This indicates that CFDA training does a better job of preventing overfitting than the standard methods currently in use. The training data can be obtained using an empirical potential surface or any ab initio method. The accuracy and interpolation power of the method have been tested for the reaction dynamics of H+HBr using an analytical potential. The results show that the present NN training technique produces more accurate fits to both the potential-energy surface as well as the corresponding force fields than the previous methods. The fitting and interpolation accuracy is so high (rms error=1.2 cm-1) that trajectories computed on the NN potential exhibit point-by-point agreement with corresponding

Monte Carlo benchmark calculations of energy deposition by electron/photon showers up to 1 GeV

International Nuclear Information System (INIS)

Mehlhorn, T.A.; Halbleib, J.A.

1983-01-01

Over the past several years the TIGER series of coupled electron/photon Monte Carlo transport codes has been applied to a variety of problems involving nuclear and space radiations, electron accelerators, and radioactive sources. In particular, they have been used at Sandia to simulate the interaction of electron beams, generated by pulsed-power accelerators, with various target materials for weapons effect simulation, and electron beam fusion. These codes are based on the ETRAN system which was developed for an energy range from about 10 keV up to a few tens of MeV. In this paper we will discuss the modifications that were made to the TIGER series of codes in order to extend their applicability to energies of interest to the high energy physics community (up to 1 GeV). We report the results of a series of benchmark calculations of the energy deposition by high energy electron beams in various materials using the modified codes. These results are then compared with the published results of various experimental measurements and other computational models

The influence of mammographic X-ray spectra on absorbed energy distribution in breast: Monte Carlo simulation studies

International Nuclear Information System (INIS)

Delis, H.; Spyrou, G.; Tzanakos, G.; Panayiotakis, G.

2005-01-01

A mathematical model, based on Monte Carlo simulation, is proposed for deriving absorbed energy and dose distribution in mammography utilizing a mathematical water-like phantom. The model was validated for its accuracy against experimental and published data. The main factor discriminating absorbed energy distribution characteristics among different mammographic techniques was considered the X-ray spectrum. The absorbed energy distribution inside the phantom was investigated via percentage depth dose and isodose curves. The influence of the factors affecting X-ray spectrum (tube voltage, anode material, filter material and thickness) on absorbed energy distribution was examined. The hardness of the beam, due to increase of tube voltage or filtration, was found to be the major factor affecting absorbed energy distribution inside the phantom. In general, Mo and W anode systems demonstrated superior dosimetric characteristics against those of W-Mo or Rh. The model presented can be used for estimating absolute and relative breast dose values and their spatial distributions

Monte Carlo simulation for fragment mass and kinetic energy distributions from the neutron-induced fission of {sup 235}U

Energy Technology Data Exchange (ETDEWEB)

Montoya, M.; Rojas, J. [Instituto Peruano de Energia Nuclear, Av. Canada 1470, Lima 41 (Peru); Saettone, E. [Facultad de Ciencias, Universidad Nacional de lngenieria, Av. Tupac Amaru 210, Apartado 31-139, Lima (Peru)

2007-07-01

The mass and kinetic energy distribution of nuclear fragments from the thermal neutron-induced fission of {sup 235}U have been studied using a Monte Carlo simulation. Besides reproducing the pronounced broadening on the standard deviation of the final fragment kinetic energy distribution ({sigma}{sub e}(m)) around the mass number m = 109, our simulation also produces a second broadening around m = 125 that is in agreement with the experimental data obtained by Belhafaf et al. These results are a consequence of the characteristics of the neutron emission, the variation in the primary fragment mean kinetic energy, and the yield as a function of the mass. (Author)

Monte Carlo simulation studies for the determination of microcalcification thickness and glandular ratio through dual-energy mammography

Science.gov (United States)

Del Lama, L. S.; Godeli, J.; Poletti, M. E.

2017-08-01

The majority of breast carcinomas can be associated to the presence of calcifications before the development of a mass. However, the overlapping tissues can obscure the visualization of microcalcification clusters due to the reduced contrast-noise ratio (CNR). In order to overcome this complication, one potential solution is the use of the dual-energy (DE) technique, in which two different images are acquired at low (LE) and high (HE) energies or kVp to highlight specific lesions or cancel out tissue background. In this work, the DE features were computationally studied considering simulated acquisitions from a modified PENELOPE Monte Carlo code. The employed irradiation geometry considered typical distances used in digital mammography, a CsI detection system and an updated breast model composed of skin, microcalcifications and glandular and adipose tissues. The breast thickness ranged from 2 to 6 cm with glandularities of 25%, 50% and 75%, where microcalcifications with dimensions from 100 up to 600 μm were positioned. In general, results pointed an efficiency index better than 87% for the microcalcification thicknesses and better than 95% for the glandular ratio. The simulations evaluated in this work can be used to optimize the elements from the DE imaging chain, in order to become a complementary tool for the conventional single-exposure images, especially for the visualization and estimation of calcification thicknesses and glandular ratios.

Quantum Monte Carlo for atoms and molecules

International Nuclear Information System (INIS)

Barnett, R.N.

1989-11-01

The diffusion quantum Monte Carlo with fixed nodes (QMC) approach has been employed in studying energy-eigenstates for 1--4 electron systems. Previous work employing the diffusion QMC technique yielded energies of high quality for H 2 , LiH, Li 2 , and H 2 O. Here, the range of calculations with this new approach has been extended to include additional first-row atoms and molecules. In addition, improvements in the previously computed fixed-node energies of LiH, Li 2 , and H 2 O have been obtained using more accurate trial functions. All computations were performed within, but are not limited to, the Born-Oppenheimer approximation. In our computations, the effects of variation of Monte Carlo parameters on the QMC solution of the Schroedinger equation were studied extensively. These parameters include the time step, renormalization time and nodal structure. These studies have been very useful in determining which choices of such parameters will yield accurate QMC energies most efficiently. Generally, very accurate energies (90--100% of the correlation energy is obtained) have been computed with single-determinant trail functions multiplied by simple correlation functions. Improvements in accuracy should be readily obtained using more complex trial functions

Monte Carlo methods and applications in nuclear physics

International Nuclear Information System (INIS)

Carlson, J.

1990-01-01

Monte Carlo methods for studying few- and many-body quantum systems are introduced, with special emphasis given to their applications in nuclear physics. Variational and Green's function Monte Carlo methods are presented in some detail. The status of calculations of light nuclei is reviewed, including discussions of the three-nucleon-interaction, charge and magnetic form factors, the coulomb sum rule, and studies of low-energy radiative transitions. 58 refs., 12 figs

Scattering theory on the lattice and with a Monte Carlo method

International Nuclear Information System (INIS)

Kroeger, H.; Moriarty, K.J.M.; Potvin, J.

1990-01-01

We present an alternative time-dependent method of calculating the S matrix in quantum systems governed by a Hamiltonian. In the first step one constructs a new Hamiltonian that describes the physics of scattering at energy E with a reduced number of degrees of freedom. Its matrix elements are computed with a Monte Carlo projector method. In the second step the scattering matrix is computed algebraically via diagonalization and exponentiation of the new Hamiltonian. Although we have in mind applications in many-body systems and quantum field theory, the method should be applicable and useful in such diverse areas as atomic and molecular physics, nuclear physics, high-energy physics and solid-state physics. As an illustration of the method, we compute s-wave scattering of two nucleons in a nonrelativistic potential model (Yamaguchi potential), for which the S matrix is known exactly

Monte Carlo simulation of channeled and random profiles of heavy ions implanted in silicon at high energy (1.2 MeV)

International Nuclear Information System (INIS)

Mazzone, A.M.

1987-01-01

In order to study channeling effects and implants of heavy ions with energy of few MeV in silicon, ion distributions are calculated with a Monte Carlo method for axial [(001) axis], planar, and nominally random directions for As + and P + ions implanted into silicon with energies in the range 100 keV to 2 MeV. The calculation indicates an appreciable channeling at the higher energy only for the (001) axis and the (110) planes. For heavy ions with energy in the MeV range the subsidence of channeling into major channels and the disappearance of minor channels are shown

Comparison of deterministic and Monte Carlo methods in shielding design.

Science.gov (United States)

Oliveira, A D; Oliveira, C

2005-01-01

In shielding calculation, deterministic methods have some advantages and also some disadvantages relative to other kind of codes, such as Monte Carlo. The main advantage is the short computer time needed to find solutions while the disadvantages are related to the often-used build-up factor that is extrapolated from high to low energies or with unknown geometrical conditions, which can lead to significant errors in shielding results. The aim of this work is to investigate how good are some deterministic methods to calculating low-energy shielding, using attenuation coefficients and build-up factor corrections. Commercial software MicroShield 5.05 has been used as the deterministic code while MCNP has been used as the Monte Carlo code. Point and cylindrical sources with slab shield have been defined allowing comparison between the capability of both Monte Carlo and deterministic methods in a day-by-day shielding calculation using sensitivity analysis of significant parameters, such as energy and geometrical conditions.

Comparison of deterministic and Monte Carlo methods in shielding design

International Nuclear Information System (INIS)

Oliveira, A. D.; Oliveira, C.

2005-01-01

In shielding calculation, deterministic methods have some advantages and also some disadvantages relative to other kind of codes, such as Monte Carlo. The main advantage is the short computer time needed to find solutions while the disadvantages are related to the often-used build-up factor that is extrapolated from high to low energies or with unknown geometrical conditions, which can lead to significant errors in shielding results. The aim of this work is to investigate how good are some deterministic methods to calculating low-energy shielding, using attenuation coefficients and build-up factor corrections. Commercial software MicroShield 5.05 has been used as the deterministic code while MCNP has been used as the Monte Carlo code. Point and cylindrical sources with slab shield have been defined allowing comparison between the capability of both Monte Carlo and deterministic methods in a day-by-day shielding calculation using sensitivity analysis of significant parameters, such as energy and geometrical conditions. (authors)

Review of quantum Monte Carlo methods and results for Coulombic systems

International Nuclear Information System (INIS)

Ceperley, D.

1983-01-01

The various Monte Carlo methods for calculating ground state energies are briefly reviewed. Then a summary of the charged systems that have been studied with Monte Carlo is given. These include the electron gas, small molecules, a metal slab and many-body hydrogen

Communication: energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water.

Science.gov (United States)

Alfè, D; Bartók, A P; Csányi, G; Gillan, M J

2013-06-14

We show the feasibility of using quantum Monte Carlo (QMC) to compute benchmark energies for configuration samples of thermal-equilibrium water clusters and the bulk liquid containing up to 64 molecules. Evidence that the accuracy of these benchmarks approaches that of basis-set converged coupled-cluster calculations is noted. We illustrate the usefulness of the benchmarks by using them to analyze the errors of the popular BLYP approximation of density functional theory (DFT). The results indicate the possibility of using QMC as a routine tool for analyzing DFT errors for non-covalent bonding in many types of condensed-phase molecular system.

Analytic continuation of quantum Monte Carlo data by stochastic analytical inference.

Science.gov (United States)

Fuchs, Sebastian; Pruschke, Thomas; Jarrell, Mark

2010-05-01

We present an algorithm for the analytic continuation of imaginary-time quantum Monte Carlo data which is strictly based on principles of Bayesian statistical inference. Within this framework we are able to obtain an explicit expression for the calculation of a weighted average over possible energy spectra, which can be evaluated by standard Monte Carlo simulations, yielding as by-product also the distribution function as function of the regularization parameter. Our algorithm thus avoids the usual ad hoc assumptions introduced in similar algorithms to fix the regularization parameter. We apply the algorithm to imaginary-time quantum Monte Carlo data and compare the resulting energy spectra with those from a standard maximum-entropy calculation.

Role and potential of renewable energy and energy efficiency for global energy supply

Energy Technology Data Exchange (ETDEWEB)

Krewitt, Wolfram; Nienhaus, Kristina [German Aerospace Center e.V. (DLR), Stuttgart (Germany); Klessmann, Corinna; Capone, Carolin; Stricker, Eva [Ecofys Germany GmbH, Berlin (Germany); Graus, Wina; Hoogwijk, Monique [Ecofys Netherlands BV, Utrecht (Netherlands); Supersberger, Nikolaus; Winterfeld, Uta von; Samadi, Sascha [Wuppertal Institute for Climate, Environment and Energy GmbH, Wuppertal (Germany)

2009-12-15

The analysis of different global energy scenarios in part I of the report confirms that the exploitation of energy efficiency potentials and the use of renewable energies play a key role in reaching global CO2 reduction targets. An assessment on the basis of a broad literature research in part II shows that the technical potentials of renewable energy technologies are a multiple of today's global final energy consumption. The analysis of cost estimates for renewable electricity generation technologies and even long term cost projections across the key studies in part III demonstrates that assumptions are in reasonable agreement. In part IV it is shown that by implementing technical potentials for energy efficiency improvements in demand and supply sectors by 2050 can be limited to 48% of primary energy supply in IEA's ''Energy Technology Perspectives'' baseline scenario. It was found that a large potential for cost-effective measures exists, equivalent to around 55-60% of energy savings of all included efficiency measures (part V). The results of the analysis on behavioural changes in part VI show that behavioural dimensions are not sufficiently included in energy scenarios. Accordingly major research challenges are revealed. (orig.)

Investigating the response of Micromegas detector to low-energy neutrons using Monte Carlo simulation

Science.gov (United States)

Khezripour, S.; Negarestani, A.; Rezaie, M. R.

2017-08-01

Micromegas detector has recently been used for high-energy neutron (HEN) detection, but the aim of this research is to investigate the response of the Micromegas detector to low-energy neutron (LEN). For this purpose, a Micromegas detector (with air, P10, BF3, 3He and Ar/BF3 mixture) was optimized for the detection of 60 keV neutrons using the MCNP (Monte Carlo N Particle) code. The simulation results show that the optimum thickness of the cathode is 1 mm and the optimum of microgrid location is 100 μm above the anode. The output current of this detector for Ar (3%) + BF3 (97%) mixture is greater than the other ones. This mixture is considered as the appropriate gas for the Micromegas neutron detector providing the output current for 60 keV neutrons at the level of 97.8 nA per neutron. Consecuently, this detector can be introduced as LEN detector.

Improved Monte Carlo modelling of multi-energy a-rays penetration through thick stratified shielding slabs

International Nuclear Information System (INIS)

Bakos, G.C.

2001-01-01

This paper deals with the application of Monte Carlo method for the calculation of dose build up factor of, mixed 1.37 and 2.75 MeV, a-rays penetration through stratified shielding slabs. Six double layer shielding slabs namely, 12 A l+Fe, 12 A l+Pb, 6 F e+Al, 6 F e+Pb, 4 P b+Al, 4 P b+Fe were examined. Furthermore, experimental and theoretical results are also presented. The experimental results were taken from the experimental facility installed at the Universities Research reactor Center (Risley, UK). Activated Na2SO3 solution provided a uniform Na-24 disc source of a-rays at both energies (1.37 and 2.75 MeV) with equal intensity. The theoretical results were calculated using the Bowman and Trubey formula. This formula takes into account an exponentially decaying function of the shield thickness (in mfp) to the end point of the multi-layer slab. The experimental and theoretical results were used to evaluate the simulation results produced from a Monte Carlo program (DUTMONCA code) which was developed in Democritus University of Thrace (Xanthi, Greece). The DUTMONCA code was written in Pascal language and run on an Intel PIII-800 microprocessor. The developed code (which is an improved version of an existing Monte Carlo program) has the ability to produce good results for thick shielding slabs overcoming the problems encountered in older version program. The simulation results are compared with experimental and theoretical results. Good agreement can be observed, even for thick layer shielding slabs, although there are some wayward experimental values which are due to sources of error associated with the experimental procedure

Monte Carlo studies of ZEPLIN III

CERN Document Server

Dawson, J; Davidge, D C R; Gillespie, J R; Howard, A S; Jones, W G; Joshi, M; Lebedenko, V N; Sumner, T J; Quenby, J J

2002-01-01

A Monte Carlo simulation of a two-phase xenon dark matter detector, ZEPLIN III, has been achieved. Results from the analysis of a simulated data set are presented, showing primary and secondary signal distributions from low energy gamma ray events.

Potential energy savings and thermal comfort

DEFF Research Database (Denmark)

Jensen, Karsten Ingerslev; Rudbeck, Claus Christian; Schultz, Jørgen Munthe

1996-01-01

The simulation results on the energy saving potential and influence on indoor thermal comfort by replacement of common windows with aerogel windows as well as commercial low-energy windows are described and analysed.......The simulation results on the energy saving potential and influence on indoor thermal comfort by replacement of common windows with aerogel windows as well as commercial low-energy windows are described and analysed....

A Monte Carlo simulation code for calculating damage and particle transport in solids: The case for electron-bombarded solids for electron energies up to 900 MeV

Energy Technology Data Exchange (ETDEWEB)

Yan, Qiang [College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001 (China); Shao, Lin, E-mail: lshao@tamu.edu [Department of Nuclear Engineering, Texas A& M University, College Station, TX 77843 (United States)

2017-03-15

Current popular Monte Carlo simulation codes for simulating electron bombardment in solids focus primarily on electron trajectories, instead of electron-induced displacements. Here we report a Monte Carol simulation code, DEEPER (damage creation and particle transport in matter), developed for calculating 3-D distributions of displacements produced by electrons of incident energies up to 900 MeV. Electron elastic scattering is calculated by using full-Mott cross sections for high accuracy, and primary-knock-on-atoms (PKAs)-induced damage cascades are modeled using ZBL potential. We compare and show large differences in 3-D distributions of displacements and electrons in electron-irradiated Fe. The distributions of total displacements are similar to that of PKAs at low electron energies. But they are substantially different for higher energy electrons due to the shifting of PKA energy spectra towards higher energies. The study is important to evaluate electron-induced radiation damage, for the applications using high flux electron beams to intentionally introduce defects and using an electron analysis beam for microstructural characterization of nuclear materials.

Combinatorial nuclear level density by a Monte Carlo method

International Nuclear Information System (INIS)

Cerf, N.

1994-01-01

We present a new combinatorial method for the calculation of the nuclear level density. It is based on a Monte Carlo technique, in order to avoid a direct counting procedure which is generally impracticable for high-A nuclei. The Monte Carlo simulation, making use of the Metropolis sampling scheme, allows a computationally fast estimate of the level density for many fermion systems in large shell model spaces. We emphasize the advantages of this Monte Carlo approach, particularly concerning the prediction of the spin and parity distributions of the excited states,and compare our results with those derived from a traditional combinatorial or a statistical method. Such a Monte Carlo technique seems very promising to determine accurate level densities in a large energy range for nuclear reaction calculations

Non-Boltzmann Ensembles and Monte Carlo Simulations

International Nuclear Information System (INIS)

Murthy, K. P. N.

2016-01-01

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

Centrifugal potential energy : an astounding renewable energy concept

Energy Technology Data Exchange (ETDEWEB)

Oduniyi, I.A. [Aled Conglomerate Nigeria Ltd., Lagos (Nigeria)

2010-07-01

A new energy concept known as centrifugal potential energy was discussed. This new energy concept is capable of increasing the pressure, temperature and enthalpy of a fluid, without having to apply work or heat transfer to the fluid. It occurs through a change in the centrifugal potential energy of the flowing fluid in a rotating frame of reference or a centrifugal force field, where work is performed internally by the centrifugal weight of the fluid. This energy concept has resulted in new energy equations, such as the Rotational Frame Bernoulli's Equation for liquids and the Rotational Frame Steady-Flow Energy Equation for gases. Applications of these equations have been incorporated into the design of centrifugal field pumps and compressors. Rather than compressing a fluid with a physical load transfer, these devices can compress a fluid via the effect of centrifugal force applied to the object. A large amount of energy is therefore produced when this high pressure compressed working fluid expands in a turbine. When water is used as the working fluid, it could reach renewable energy densities in the range of 25-100 kJ/kg of water. When atmospheric air is used, it could reach energy densities in the range of 500-1,500 kJ/kg of air.

Renewable energy costs, potentials, barriers: Conceptual issues

International Nuclear Information System (INIS)

Verbruggen, Aviel; Fischedick, Manfred; Moomaw, William; Weir, Tony; Nadai, Alain; Nilsson, Lars J.; Nyboer, John; Sathaye, Jayant

2010-01-01

Renewable energy can become the major energy supply option in low-carbon energy economies. Disruptive transformations in all energy systems are necessary for tapping widely available renewable energy resources. Organizing the energy transition from non-sustainable to renewable energy is often described as the major challenge of the first half of the 21st century. Technological innovation, the economy (costs and prices) and policies have to be aligned to achieve full renewable energy potentials, and barriers impeding that growth need to be removed. These issues are also covered by IPCC's special report on renewable energy and climate change to be completed in 2010. This article focuses on the interrelations among the drivers. It clarifies definitions of costs and prices, and of barriers. After reviewing how the third and fourth assessment reports of IPCC cover mitigation potentials and commenting on definitions of renewable energy potentials in the literature, we propose a consistent set of potentials of renewable energy supplies.

Monte Carlo methods and applications in nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Carlson, J.

1990-01-01

Monte Carlo methods for studying few- and many-body quantum systems are introduced, with special emphasis given to their applications in nuclear physics. Variational and Green's function Monte Carlo methods are presented in some detail. The status of calculations of light nuclei is reviewed, including discussions of the three-nucleon-interaction, charge and magnetic form factors, the coulomb sum rule, and studies of low-energy radiative transitions. 58 refs., 12 figs.

Monte Carlo simulations of ionization potential depression in dense plasmas

Czech Academy of Sciences Publication Activity Database

Stránský, Michal

2016-01-01

Roč. 23, č. 1 (2016), 1-5, č. článku 012708. ISSN 1070-664X R&D Projects: GA MŠk LG15013 Institutional support: RVO:68378271 Keywords : Monte Carlo methods * aluminium * plasma temperature * computer modeling * ionization Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.115, year: 2016

Dosimetric impact of dual-energy CT tissue segmentation for low-energy prostate brachytherapy: a Monte Carlo study

Science.gov (United States)

Remy, Charlotte; Lalonde, Arthur; Béliveau-Nadeau, Dominic; Carrier, Jean-François; Bouchard, Hugo

2018-01-01

The purpose of this study is to evaluate the impact of a novel tissue characterization method using dual-energy over single-energy computed tomography (DECT and SECT) on Monte Carlo (MC) dose calculations for low-dose rate (LDR) prostate brachytherapy performed in a patient like geometry. A virtual patient geometry is created using contours from a real patient pelvis CT scan, where known elemental compositions and varying densities are overwritten in each voxel. A second phantom is made with additional calcifications. Both phantoms are the ground truth with which all results are compared. Simulated CT images are generated from them using attenuation coefficients taken from the XCOM database with a 100 kVp spectrum for SECT and 80 and 140Sn kVp for DECT. Tissue segmentation for Monte Carlo dose calculation is made using a stoichiometric calibration method for the simulated SECT images. For the DECT images, Bayesian eigentissue decomposition is used. A LDR prostate brachytherapy plan is defined with 125I sources and then calculated using the EGSnrc user-code Brachydose for each case. Dose distributions and dose-volume histograms (DVH) are compared to ground truth to assess the accuracy of tissue segmentation. For noiseless images, DECT-based tissue segmentation outperforms the SECT procedure with a root mean square error (RMS) on relative errors on dose distributions respectively of 2.39% versus 7.77%, and provides DVHs closest to the reference DVHs for all tissues. For a medium level of CT noise, Bayesian eigentissue decomposition still performs better on the overall dose calculation as the RMS error is found to be of 7.83% compared to 9.15% for SECT. Both methods give a similar DVH for the prostate while the DECT segmentation remains more accurate for organs at risk and in presence of calcifications, with less than 5% of RMS errors within the calcifications versus up to 154% for SECT. In a patient-like geometry, DECT-based tissue segmentation provides dose

Investigating energy deposition within cell populations using Monte Carlo simulations.

Science.gov (United States)

Oliver, Patricia A K; Thomson, Rowan M

2018-06-27

In this work, we develop multicellular models of healthy and cancerous human soft tissues, which are used to investigate energy deposition in subcellular targets, quantify the microdosimetric spread in a population of cells, and determine how these results depend on model details. Monte Carlo (MC) tissue models combining varying levels of detail on different length scales are developed: microscopically-detailed regions of interest (>1500 explicitly-modelled cells) are embedded in bulk tissue phantoms irradiated by photons (20 keV to 1.25 MeV). Specific energy (z; energy imparted per unit mass) is scored in nuclei and cytoplasm compartments using the EGSnrc user-code egs_chamber; specific energy mean, <z>, standard deviation, σ_z, and distribution, f(z,D), are calculated for a variety of macroscopic doses, D. MC-calculated f(z,D) are compared with normal distributions having the same mean and standard deviation. For mGy doses, there is considerable variation in energy deposition (microdosimetric spread) throughout a cell population: e.g., for 30 keV photons irradiating melanoma with 7.5 μm cell radius and 3 μm nuclear radius, σ_z/<z> for nuclear targets is 170%, and the fraction of nuclei receiving no energy deposition, f_z=0, is 0.31 for a dose of 10 mGy. If cobalt-60 photons are considered instead, then σ_z/<z> decreases to 84%, and f_z=0 decreases to 0.036. These results correspond to randomly arranged cells with cell/nucleus sizes randomly sampled from a normal distribution with a standard deviation of 1 μm. If cells are arranged in a hexagonal lattice and cell/nucleus sizes are uniform throughout the population, then σ_z/<z> decreases to 106% and 68% for 30 keV and cobalt-60,respectively; f_z=0

A sequential Monte Carlo model of the combined GB gas and electricity network

International Nuclear Information System (INIS)

Chaudry, Modassar; Wu, Jianzhong; Jenkins, Nick

2013-01-01

A Monte Carlo model of the combined GB gas and electricity network was developed to determine the reliability of the energy infrastructure. The model integrates the gas and electricity network into a single sequential Monte Carlo simulation. The model minimises the combined costs of the gas and electricity network, these include gas supplies, gas storage operation and electricity generation. The Monte Carlo model calculates reliability indices such as loss of load probability and expected energy unserved for the combined gas and electricity network. The intention of this tool is to facilitate reliability analysis of integrated energy systems. Applications of this tool are demonstrated through a case study that quantifies the impact on the reliability of the GB gas and electricity network given uncertainties such as wind variability, gas supply availability and outages to energy infrastructure assets. Analysis is performed over a typical midwinter week on a hypothesised GB gas and electricity network in 2020 that meets European renewable energy targets. The efficacy of doubling GB gas storage capacity on the reliability of the energy system is assessed. The results highlight the value of greater gas storage facilities in enhancing the reliability of the GB energy system given various energy uncertainties. -- Highlights: •A Monte Carlo model of the combined GB gas and electricity network was developed. •Reliability indices are calculated for the combined GB gas and electricity system. •The efficacy of doubling GB gas storage capacity on reliability of the energy system is assessed. •Integrated reliability indices could be used to assess the impact of investment in energy assets

Energy potential of agricultural crops in Kosovo

International Nuclear Information System (INIS)

Sahiti, Naser; Sfishta, Avni; Gramatikov, Plamen

2015-01-01

Primary energy mix in Kosovo with 98 % consisting of lignite and only 2 % of water is far from portfolio of primary energy sources which could contribute to a sustainable and environmental friendly energy supply of the country. In order to improve the situation, government is supporting activities in favor of upgrading of electricity production capacities based on Renewable Energy Sources. Corresponding action plans and feed in tariffs are already in place. However, prior to any investment, one needs specific results on available potential. Current study provides results of the analysis of Kosovo potential for energy production by using of agricultural crops. Study is based on national statistics on available agricultural crops in Kosovo and provides results on biomass potential of crops, corresponding energy potential and an assessment of financial cost of energy produced.

Energy potential of region and its quantitative assessment

Directory of Open Access Journals (Sweden)

Tatyana Aleksandrovna Kovalenko

2013-09-01

Full Text Available The purpose of the article is the development of the concept of the energy potential of the region (EPR, the analysis of the existing structure of relationships for the EPR elements in Ukraine and improvement of a quantitative assessment of energy potential of the region (country. The methods of an assessment of the existing condition of energy potential of the territory are the subject matter of the research. As a result of the analysis of concept’s definitions of energy potential of the region, it has further development and included the consumer potential of energy resources and capacity of management. The structure of relationships between elements of energy potential is developed for the Ukraine region. The new economic indicator — the realized energy potential is offered for an EPR assessment. By means of this indicator, the assessment of energy potential for the different countries of the world and a number of Ukraine areas of is performed.

Monte Carlo based diffusion coefficients for LMFBR analysis

International Nuclear Information System (INIS)

Van Rooijen, Willem F.G.; Takeda, Toshikazu; Hazama, Taira

2010-01-01

A method based on Monte Carlo calculations is developed to estimate the diffusion coefficient of unit cells. The method uses a geometrical model similar to that used in lattice theory, but does not use the assumption of a separable fundamental mode used in lattice theory. The method uses standard Monte Carlo flux and current tallies, and the continuous energy Monte Carlo code MVP was used without modifications. Four models are presented to derive the diffusion coefficient from tally results of flux and partial currents. In this paper the method is applied to the calculation of a plate cell of the fast-spectrum critical facility ZEBRA. Conventional calculations of the diffusion coefficient diverge in the presence of planar voids in the lattice, but our Monte Carlo method can treat this situation without any problem. The Monte Carlo method was used to investigate the influence of geometrical modeling as well as the directional dependence of the diffusion coefficient. The method can be used to estimate the diffusion coefficient of complicated unit cells, the limitation being the capabilities of the Monte Carlo code. The method will be used in the future to confirm results for the diffusion coefficient obtained of the Monte Carlo code. The method will be used in the future to confirm results for the diffusion coefficient obtained with deterministic codes. (author)

Response matrix Monte Carlo based on a general geometry local calculation for electron transport

International Nuclear Information System (INIS)

Ballinger, C.T.; Rathkopf, J.A.; Martin, W.R.

1991-01-01

A Response Matrix Monte Carlo (RMMC) method has been developed for solving electron transport problems. This method was born of the need to have a reliable, computationally efficient transport method for low energy electrons (below a few hundred keV) in all materials. Today, condensed history methods are used which reduce the computation time by modeling the combined effect of many collisions but fail at low energy because of the assumptions required to characterize the electron scattering. Analog Monte Carlo simulations are prohibitively expensive since electrons undergo coulombic scattering with little state change after a collision. The RMMC method attempts to combine the accuracy of an analog Monte Carlo simulation with the speed of the condensed history methods. Like condensed history, the RMMC method uses probability distributions functions (PDFs) to describe the energy and direction of the electron after several collisions. However, unlike the condensed history method the PDFs are based on an analog Monte Carlo simulation over a small region. Condensed history theories require assumptions about the electron scattering to derive the PDFs for direction and energy. Thus the RMMC method samples from PDFs which more accurately represent the electron random walk. Results show good agreement between the RMMC method and analog Monte Carlo. 13 refs., 8 figs

Study of dose distribution in dental radiology using the Monte Carlo Simulation; Estudo da distribuicao de dose em radiologia odontologica usando simulacao Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Bonzoumet, S P.J.; Braz, D; Lopes, R T [Nuclear Instrumentation Laboratory, COPPE/UFRJ, Rio de Janeiro (Brazil); Anjos, M J [Nuclear Instrumentation Laboratory, COPPE/UFRJ, Rio de Janeiro (Brazil); Universidade do Estado do Rio de Janeiro, Rio de Janeiro (Brazil). Instituto de Fisica; Barroso, R C.S. [Universidade do Estado do Rio de Janeiro, Rio de Janeiro (Brazil). Instituto de Fisica

2003-11-15

Full text: The purpose of this study was to study the absorbed dose in mouth due to scattering in teeth in dental radiography using the monte carlo simulation. The Electron Gamma Shower (EGS-4) system of computer codes was used, which is a general purpose package for monte carlo simulation of the coupled transport of electrons and photons in an arbitrary geometry for particles with energies above a few keV up to several TeV. In the case of a X ray dental the low energy photons beam, are removed of the spectrum by the filtration. These low energy photons beam do not contribute in the obtaining of the radiographic image, but they will be contribute in the dose to the patient, however when the incident radiation crosses the tooth it generates a scattering radiation that contributes in the dose received by the patient in the oral cavity (cheek, tooth and oral cavity). Dental radiography is one of the largest single groups of radiographic examination accounting for 32% of radiographs taken in the Brazil. A number of relatively recent improvements in technology, equipment and techniques have the potential to reduce patient radiation dose and improve image quality. To optimize radiation protection all reasonable means should be employed to minimize the dose of each exposure. Dentists therefore need to keep up to date with changes in techniques and equipment and modify their own practice. In preliminary analysis could be notice that the energy below the 30 keV (low energy) is deposited in the cheek. To 30 keV photons there is the maximum absorbed energy in the tooth (about 60%). In 40 keV could be notice that deposited energy is same to teeth and cheek, but up to 40 keV just a small part of energy is deposited, e.g., the great part of energy is transmitted to the inner mouth (oral cavity). (orig.)

Calculation of toroidal fusion reactor blankets by Monte Carlo

International Nuclear Information System (INIS)

Macdonald, J.L.; Cashwell, E.D.; Everett, C.J.

1977-01-01

A brief description of the calculational method is given. The code calculates energy deposition in toroidal geometry, but is a continuous energy Monte Carlo code, treating the reaction cross sections as well as the angular scattering distributions in great detail

A Monte-Carlo simulation of the equilibrium beam polarization in ultra-high energy electron (positron) storage rings

Energy Technology Data Exchange (ETDEWEB)

Duan, Zhe, E-mail: zhe.duan@ihep.ac.cn [Key Laboratory of Particle Acceleration Physics and Technology, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing (China); University of Chinese Academy of Sciences, 100049 Beijing (China); Bai, Mei [Forschungszentrum Jülich GmbH, 52428 Jülich (Germany); Barber, Desmond P. [Deutsches Elektronen-Synchrotron, DESY, 22607 Hamburg (Germany); Qin, Qing [Key Laboratory of Particle Acceleration Physics and Technology, Institute of High Energy Physics, Chinese Academy of Sciences, 100049 Beijing (China)

2015-09-01

With the recently emerging global interest in building a next generation of circular electron–positron colliders to study the properties of the Higgs boson, and other important topics in particle physics at ultra-high beam energies, it is also important to pursue the possibility of implementing polarized beams at this energy scale. It is therefore necessary to set up simulation tools to evaluate the beam polarization at these ultra-high beam energies. In this paper, a Monte-Carlo simulation of the equilibrium beam polarization based on the Polymorphic Tracking Code (PTC) (Schmidt et al., 2002 [1]) is described. The simulations are for a model storage ring with parameters similar to those of proposed circular colliders in this energy range, and they are compared with the suggestion (Derbenev et al., 1979 [2]) that there are different regimes for the spin dynamics underlying the polarization of a beam in the presence of synchrotron radiation at ultra-high beam energies. In particular, it has been suggested that the so-called “correlated” crossing of spin resonances during synchrotron oscillations at current energies evolves into “uncorrelated” crossing of spin resonances at ultra-high energies.

A Monte-Carlo simulation of the equilibrium beam polarization in ultra-high energy electron (positron) storage rings

International Nuclear Information System (INIS)

Duan, Zhe; Bai, Mei; Barber, Desmond P.; Qin, Qing

2015-04-01

With the recently emerging global interest in building a next generation of circular electron-positron colliders to study the properties of the Higgs boson, and other important topics in particle physics at ultra-high beam energies, it is also important to pursue the possibility of implementing polarized beams at this energy scale. It is therefore necessary to set up simulation tools to evaluate the beam polarization at these ultra-high beam energies. In this paper, a Monte-Carlo simulation of the equilibrium beam polarization based on the Polymorphic Tracking Code(PTC) (Schmidt et al., 2002) is described. The simulations are for a model storage ring with parameters similar to those of proposed circular colliders in this energy range, and they are compared with the suggestion (Derbenev et al., 1978) that there are different regimes for the spin dynamics underlying the polarization of a beam in the presence of synchrotron radiation at ultra-high beam energies. In particular, it has been suggested that the so-called ''correlated'' crossing of spin resonances during synchrotron oscillations at current energies, evolves into ''uncorrelated'' crossing of spin resonances at ultra-high energies.

Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations.

Science.gov (United States)

Attarian Shandiz, Mohammad; Guinel, Maxime J-F; Ahmadi, Majid; Gauvin, Raynald

2016-02-01

A new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

Improved diffusion coefficients generated from Monte Carlo codes

International Nuclear Information System (INIS)

Herman, B. R.; Forget, B.; Smith, K.; Aviles, B. N.

2013-01-01

Monte Carlo codes are becoming more widely used for reactor analysis. Some of these applications involve the generation of diffusion theory parameters including macroscopic cross sections and diffusion coefficients. Two approximations used to generate diffusion coefficients are assessed using the Monte Carlo code MC21. The first is the method of homogenization; whether to weight either fine-group transport cross sections or fine-group diffusion coefficients when collapsing to few-group diffusion coefficients. The second is a fundamental approximation made to the energy-dependent P1 equations to derive the energy-dependent diffusion equations. Standard Monte Carlo codes usually generate a flux-weighted transport cross section with no correction to the diffusion approximation. Results indicate that this causes noticeable tilting in reconstructed pin powers in simple test lattices with L2 norm error of 3.6%. This error is reduced significantly to 0.27% when weighting fine-group diffusion coefficients by the flux and applying a correction to the diffusion approximation. Noticeable tilting in reconstructed fluxes and pin powers was reduced when applying these corrections. (authors)

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO⁺(H₂O) cluster using accurate potential energy and dipole moment surfaces.

Science.gov (United States)

Homayoon, Zahra

2014-09-28

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO(+)(H2O) cluster is reported. The PES is based on fitting of roughly 32,000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO(+)(H2O) and NO(+)(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO(+)(H2O) and NO(+)(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO(+)(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces

Science.gov (United States)

Homayoon, Zahra

2014-09-01

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO+(H2O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO+(H2O) and NO+(D2O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO+(H2O) and NO+(D2O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO+(H2O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water "antisymmetric" stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO+(H2O) cluster using accurate potential energy and dipole moment surfaces

International Nuclear Information System (INIS)

Homayoon, Zahra

2014-01-01

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO + (H 2 O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO + (H 2 O) and NO + (D 2 O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO + (H 2 O) and NO + (D 2 O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO + (H 2 O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing

New developments on Monte Carlo simulation code for the calculation of Atom Displacements Induced rates by High Energy Electrons in Solid Materials

International Nuclear Information System (INIS)

Damiani, Daniela D.; Cruz, Carlos M.; Pinnera, Ibrahin; Abreu, Yamiel; Leyva, Antonio

2015-01-01

New developments and simulations on regard to the interactions of incident gamma radiation over solids materials using the MCSAD (Monte Carlo Simulation of Atom Displacement) code are presented. In this code Monte Carlo algorithms are applied in order to sample all electrons and gamma interaction processes occurring during their transport through a solid target, especially those connected to the output of atom displacements events. Particularly, it is calculated the limit angle to elastic scattering for the electrons on a new approach, which allows correctly the splitting of the electron single processes at higher scattering angles. On this way, the probability of single electron scattering processes transferring high recoil atomic energy leading to atom displacement effects is calculated and consequently sampled in the MCSAD code. In addition, it is considered some other new theoretical aspects in order to improve previous versions, like the one concerning the selection of threshold energy for displacements at a given atom site in dependence of the atom recoil direction. (Author)

An Overview of the Monte Carlo Application ToolKit (MCATK)

Energy Technology Data Exchange (ETDEWEB)

Trahan, Travis John [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-01-07

MCATK is a C++ component-based Monte Carlo neutron-gamma transport software library designed to build specialized applications and designed to provide new functionality in existing general-purpose Monte Carlo codes like MCNP; it was developed with Agile software engineering methodologies under the motivation to reduce costs. The characteristics of MCATK can be summarized as follows: MCATK physics – continuous energy neutron-gamma transport with multi-temperature treatment, static eigenvalue (k and α) algorithms, time-dependent algorithm, fission chain algorithms; MCATK geometry – mesh geometries, solid body geometries. MCATK provides verified, unit-tested Monte Carlo components, flexibility in Monte Carlo applications development, and numerous tools such as geometry and cross section plotters. Recent work has involved deterministic and Monte Carlo analysis of stochastic systems. Static and dynamic analysis is discussed, and the results of a dynamic test problem are given.

Characteristics of hadron production in e+e- annihilation at LEP energy in the frame of the Luna Monte Carlo fragmentation model

International Nuclear Information System (INIS)

Batyunya, B.V.

1988-01-01

The inclusive characteristics of the e + e - -annihilation process at LEP energy, generated in the Monte-Carlo LUND model, have been obtained. The question on the choice of the model parameters, determining the rates of 2-,3- and 4-jet events, is discussed. The comparison of the generated event characteristics with the experimental ones obtained at lower energy points to the necessity of a more exact choice of the model parameters determining relative probability of different type hadron production. At the same time the properties of the momentum variable distributions of the generated particles reflect a general experimental picture at lower energy

Variational Monte Carlo calculations of few-body nuclei

International Nuclear Information System (INIS)

Wiringa, R.B.

1986-01-01

The variational Monte Carlo method is described. Results for the binding energies, density distributions, momentum distributions, and static longitudinal structure functions of the 3 H, 3 He, and 4 He ground states, and for the energies of the low-lying scattering states in 4 He are presented. 25 refs., 3 figs

Future bio-energy potential under various natural constraints

International Nuclear Information System (INIS)

Vuuren, Detlef P. van; Vliet, Jasper van; Stehfest, Elke

2009-01-01

Potentials for bio-energy have been estimated earlier on the basis of estimates of potentially available land, excluding certain types of land use or land cover (land required for food production and forests). In this paper, we explore how such estimates may be influenced by other factors such as land degradation, water scarcity and biodiversity concerns. Our analysis indicates that of the original bio-energy potential estimate of 150, 80 EJ occurs in areas classified as from mild to severe land degradation, water stress, or with high biodiversity value. Yield estimates were also found to have a significant impact on potential estimates. A further 12.5% increase in global yields would lead to an increase in bio-energy potential of about 50%. Changes in bio-energy potential are shown to have a direct impact on bio-energy use in the energy model TIMER, although the relevant factor is the bio-energy potential at different cost levels and not the overall potential.

Phase transition in nonuniform Josephson arrays: Monte Carlo simulations

Science.gov (United States)

Lozovik, Yu. E.; Pomirchy, L. M.

1994-01-01

Disordered 2D system with Josephson interactions is considered. Disordered XY-model describes the granular films, Josephson arrays etc. Two types of disorder are analyzed: (1) randomly diluted system: Josephson coupling constants J ij are equal to J with probability p or zero (bond percolation problem); (2) coupling constants J ij are positive and distributed randomly and uniformly in some interval either including the vicinity of zero or apart from it. These systems are simulated by Monte Carlo method. Behaviour of potential energy, specific heat, phase correlation function and helicity modulus are analyzed. The phase diagram of the diluted system in T c-p plane is obtained.

Juan Carlos D'Olivo: A portrait

Science.gov (United States)

Aguilar-Arévalo, Alexis A.

2013-06-01

This report attempts to give a brief bibliographical sketch of the academic life of Juan Carlos D'Olivo, researcher and teacher at the Instituto de Ciencias Nucleares of UNAM, devoted to advancing the fields of High Energy Physics and Astroparticle Physics in Mexico and Latin America.

Monte Carlo Simulations of Ultra-High Energy Resolution Gamma Detectors for Nuclear Safeguards

International Nuclear Information System (INIS)

Robles, A.; Drury, O.B.; Friedrich, S.

2009-01-01

Ultra-high energy resolution superconducting gamma-ray detectors can improve the accuracy of non-destructive analysis for unknown radioactive materials. These detectors offer an order of magnitude improvement in resolution over conventional high purity germanium detectors. The increase in resolution reduces errors from line overlap and allows for the identification of weaker gamma-rays by increasing the magnitude of the peaks above the background. In order to optimize the detector geometry and to understand the spectral response function Geant4, a Monte Carlo simulation package coded in C++, was used to model the detectors. Using a 1 mm 3 Sn absorber and a monochromatic gamma source, different absorber geometries were tested. The simulation was expanded to include the Cu block behind the absorber and four layers of shielding required for detector operation at 0.1 K. The energy spectrum was modeled for an Am-241 and a Cs-137 source, including scattering events in the shielding, and the results were compared to experimental data. For both sources the main spectral features such as the photopeak, the Compton continuum, the escape x-rays and the backscatter peak were identified. Finally, the low energy response of a Pu-239 source was modeled to assess the feasibility of Pu-239 detection in spent fuel. This modeling of superconducting detectors can serve as a guide to optimize the configuration in future spectrometer designs.

Potential of renewable and alternative energy sources

Science.gov (United States)

Konovalov, V.; Pogharnitskaya, O.; Rostovshchikova, A.; Matveenko, I.

2015-11-01

The article deals with application potential of clean alternative renewable energy sources. By means of system analysis the forecast for consumption of electrical energy in Tomsk Oblast as well as main energy sources of existing energy system have been studied up to 2018. Engineering potential of renewable and alternative energy sources is evaluated. Besides, ranking in the order of their efficiency descending is performed. It is concluded that Tomsk Oblast has high potential of alternative and renewable energy sources, among which the most promising development perspective is implementation of gasification stations to save fuel consumed by diesel power stations as well as building wind-power plants.

SWAT4.0 - The integrated burnup code system driving continuous energy Monte Carlo codes MVP, MCNP and deterministic calculation code SRAC

International Nuclear Information System (INIS)

Kashima, Takao; Suyama, Kenya; Takada, Tomoyuki

2015-03-01

There have been two versions of SWAT depending on details of its development history: the revised SWAT that uses the deterministic calculation code SRAC as a neutron transportation solver, and the SWAT3.1 that uses the continuous energy Monte Carlo code MVP or MCNP5 for the same purpose. It takes several hours, however, to execute one calculation by the continuous energy Monte Carlo code even on the super computer of the Japan Atomic Energy Agency. Moreover, two-dimensional burnup calculation is not practical using the revised SWAT because it has problems on production of effective cross section data and applying them to arbitrary fuel geometry when a calculation model has multiple burnup zones. Therefore, SWAT4.0 has been developed by adding, to SWAT3.1, a function to utilize the deterministic code SARC2006, which has shorter calculation time, as an outer module of neutron transportation solver for burnup calculation. SWAT4.0 has been enabled to execute two-dimensional burnup calculation by providing an input data template of SRAC2006 to SWAT4.0 input data, and updating atomic number densities of burnup zones in each burnup step. This report describes outline, input data instruction, and examples of calculations of SWAT4.0. (author)

Monte Carlo simulation and gaussian broaden techniques for full energy peak of characteristic X-ray in EDXRF

International Nuclear Information System (INIS)

Li Zhe; Liu Min; Shi Rui; Wu Xuemei; Tuo Xianguo

2012-01-01

Background: Non-standard analysis (NSA) technique is one of the most important development directions of energy dispersive X-ray fluorescence (EDXRF). Purpose: This NSA technique is mainly based on Monte Carlo (MC) simulation and full energy peak broadening, which were studied preliminarily in this paper. Methods: A kind of MC model was established for Si-PIN based EDXRF setup, and the flux spectra were obtained for iron ore sample. Finally, the flux spectra were broadened by Gaussian broaden parameters calculated by a new method proposed in this paper, and the broadened spectra were compared with measured energy spectra. Results: MC method can be used to simulate EDXRF measurement, and can correct the matrix effects among elements automatically. Peak intensities can be obtained accurately by using the proposed Gaussian broaden technique. Conclusions: This study provided a key technique for EDXRF to achieve advanced NSA technology. (authors)

Simplest Validation of the HIJING Monte Carlo Model

CERN Document Server

Uzhinsky, V.V.

2003-01-01

Fulfillment of the energy-momentum conservation law, as well as the charge, baryon and lepton number conservation is checked for the HIJING Monte Carlo program in $pp$-interactions at $\\sqrt{s}=$ 200, 5500, and 14000 GeV. It is shown that the energy is conserved quite well. The transverse momentum is not conserved, the deviation from zero is at the level of 1--2 GeV/c, and it is connected with the hard jet production. The deviation is absent for soft interactions. Charge, baryon and lepton numbers are conserved. Azimuthal symmetry of the Monte Carlo events is studied, too. It is shown that there is a small signature of a "flow". The situation with the symmetry gets worse for nucleus-nucleus interactions.

Monte-Carlo simulation of electromagnetic showers

International Nuclear Information System (INIS)

Amatuni, Ts.A.

1984-01-01

The universal ELSS-1 program for Monte Carlo simulation of high energy electromagnetic showers in homogeneous absorbers of arbitrary geometry is written. The major processes and effects of electron and photon interaction with matter, particularly the Landau-Pomeranchuk-Migdal effect, are taken into account in the simulation procedures. The simulation results are compared with experimental data. Some characteristics of shower detectors and electromagnetic showers for energies up 1 TeV are calculated

Fossil energy savings potential of sugar cane bio-energy systems

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Thu Lan T. [Department of Agroecology, Aarhus University, Tjele (Denmark); The Joint Graduate School of Energy and Environment, King Mongkut' s University of Technology Thonburi, Bangkok (Thailand); Hermansen, John E. [Department of Agroecology, Aarhus University, Tjele (Denmark); Sagisaka, Masayuki [Institute of Science for Safety and Sustainability, National Institute of Advanced Industrial Science and Technology, Tsukuba (Japan)

2009-11-15

One important rationale for bio-energy systems is their potential to save fossil energy. Converting a conventional sugar mill into a bio-energy process plant would contribute to fossil energy savings via the extraction of renewable electricity and ethanol substituting for fossil electricity and gasoline, respectively. This paper takes a closer look at the Thai sugar industry and examines two practical approaches that will enhance fossil energy savings. The first one addresses an efficient extraction of energy in the form of electricity from the excess bagasse and cane trash. The second while proposing to convert molasses or sugar cane to ethanol stresses the use of bagasse as well as distillery spent wash to replace coal in meeting ethanol plants' energy needs. The savings potential achieved with extracting ethanol from surplus sugar versus current practice in sugar industry in Thailand amounts to 15 million barrels of oil a year. Whether the saving benefits could be fully realized, however, depends on how well the potential land use change resulting from an expansion of ethanol production is managed. The results presented serve as a useful guidance to formulate strategies that enable optimum utilization of biomass as an energy source. (author)

Material decomposition through weighted imaged subtraction in dual-energy spectral mammography with an energy-resolved photon-counting detector using Monte Carlo Simulation

Energy Technology Data Exchange (ETDEWEB)

Eom, Ji Soo; Kang, Soon Cheol; Lee, Seung Wan [Konyang University, Daejeon (Korea, Republic of)

2017-09-15

Mammography is commonly used for screening early breast cancer. However, mammographic images, which depend on the physical properties of breast components, are limited to provide information about whether a lesion is malignant or benign. Although a dual-energy subtraction technique decomposes a certain material from a mixture, it increases radiation dose and degrades the accuracy of material decomposition. In this study, we simulated a breast phantom using attenuation characteristics, and we proposed a technique to enable the accurate material decomposition by applying weighting factors for the dual-energy mammography based on a photon-counting detector using a Monte Carlo simulation tool. We also evaluated the contrast and noise of simulated breast images for validating the proposed technique. As a result, the contrast for a malignant tumor in the dual-energy weighted subtraction technique was 0.98 and 1.06 times similar than those in the general mammography and dual-energy subtraction techniques, respectively. However the contrast between malignant and benign tumors dramatically increased 13.54 times due to the low contrast of a benign tumor. Therefore, the proposed technique can increase the material decomposition accuracy for malignant tumor and improve the diagnostic accuracy of mammography.

Assessment of wind energy potential in China

Institute of Scientific and Technical Information of China (English)

Zhu Rong; Zhang De; Wang Yuedong; Xing Xuhuang; Li Zechun

2009-01-01

China wind atlas was made by numerical simulation and the wind energy potential in China was calculated. The model system for wind energy resource assessment was set up based on Canadian Wind Energy Simulating Toolkit (WEST) and the simulating method was as follows. First, the weather classes were obtained depend on meteorological data of 30 years. Then, driven by the initial meteorological field produced by each weather class, the meso-scale model ran for the distribution of wind energy resources according each weather class condition one by one. Finally, averaging all the modeling output weighted by the occurrence frequency of each weather class, the annual mean distribution of wind energy resources was worked out. Compared the simulated wind energy potential with other results from several ac-tivities and studies for wind energy resource assessment, it is found that the simulated wind energy potential in mainland of China is 3 times that from the second and the third investigations for wind energy resources by CMA, and is similar to the wind energy potential obtained by NREL in Solar and Wind Energy Resource Assessment (SWERA) project. The simulated offshore wind energy potential of China seems smaller than the true value. According to the simulated results of CMA and considering lots of limited factors to wind energy development, the final conclusion can be obtained that the wind energy availability in China is 700～1 200 GW, in which 600～1 000 GW is in mainland and 100～200 GW is on offshore, and wind power will become the important part of energy composition in future.

Monte Carlo simulations of interacting particle mixtures in ratchet potentials

International Nuclear Information System (INIS)

Fendrik, A J; Romanelli, L

2012-01-01

There are different models of devices for achieving a separation of mixtures of particles by using the ratchet effect. On the other hand, it has been proposed that one could also control the separation by means of appropriate interactions. Through Monte Carlo simulations, we show that inclusion of simple interactions leads to a decrease of the ratchet effect and therefore also a separation of the mixtures.

Modified Monte Carlo procedure for particle transport problems

International Nuclear Information System (INIS)

Matthes, W.

1978-01-01

The simulation of photon transport in the atmosphere with the Monte Carlo method forms part of the EURASEP-programme. The specifications for the problems posed for a solution were such, that the direct application of the analogue Monte Carlo method was not feasible. For this reason the standard Monte Carlo procedure was modified in the sense that additional properly weighted branchings at each collision and transport process in a photon history were introduced. This modified Monte Carlo procedure leads to a clear and logical separation of the essential parts of a problem and offers a large flexibility for variance reducing techniques. More complex problems, as foreseen in the EURASEP-programme (e.g. clouds in the atmosphere, rough ocean-surface and chlorophyl-distribution in the ocean) can be handled by recoding some subroutines. This collision- and transport-splitting procedure can of course be performed differently in different space- and energy regions. It is applied here only for a homogeneous problem

Energy dependence of nonlocal optical potentials

Science.gov (United States)

Lovell, A. E.; Bacq, P.-L.; Capel, P.; Nunes, F. M.; Titus, L. J.

2017-11-01

Recently, a variety of studies have shown the importance of including nonlocality in the description of reactions. The goal of this work is to revisit the phenomenological approach to determining nonlocal optical potentials from elastic scattering. We perform a χ2 analysis of neutron elastic scattering data off 40Ca, 90Zr, and 208Pb at energies E ≈5 -40 MeV, assuming a Perey and Buck [Nucl. Phys. 32, 353 (1962), 10.1016/0029-5582(62)90345-0] or Tian et al. [Int. J. Mod. Phys. E 24, 1550006 (2015), 10.1142/S0218301315500068] nonlocal form for the optical potential. We introduce energy and asymmetry dependencies in the imaginary part of the potential and refit the data to obtain a global parametrization. Independently of the starting point in the minimization procedure, an energy dependence in the imaginary depth is required for a good description of the data across the included energy range. We present two parametrizations, both of which represent an improvement over the original potentials for the fitted nuclei as well as for other nuclei not included in our fit. Our results show that, even when including the standard Gaussian nonlocality in optical potentials, a significant energy dependence is required to describe elastic-scattering data.

Moisture content prediction in poultry litter using artificial intelligence techniques and Monte Carlo simulation to determine the economic yield from energy use.

Science.gov (United States)

Rico-Contreras, José Octavio; Aguilar-Lasserre, Alberto Alfonso; Méndez-Contreras, Juan Manuel; López-Andrés, Jhony Josué; Cid-Chama, Gabriela

2017-11-01

The objective of this study is to determine the economic return of poultry litter combustion in boilers to produce bioenergy (thermal and electrical), as this biomass has a high-energy potential due to its component elements, using fuzzy logic to predict moisture and identify the high-impact variables. This is carried out using a proposed 7-stage methodology, which includes a statistical analysis of agricultural systems and practices to identify activities contributing to moisture in poultry litter (for example, broiler chicken management, number of air extractors, and avian population density), and thereby reduce moisture to increase the yield of the combustion process. Estimates of poultry litter production and heating value are made based on 4 different moisture content percentages (scenarios of 25%, 30%, 35%, and 40%), and then a risk analysis is proposed using the Monte Carlo simulation to select the best investment alternative and to estimate the environmental impact for greenhouse gas mitigation. The results show that dry poultry litter (25%) is slightly better for combustion, generating 3.20% more energy. Reducing moisture from 40% to 25% involves considerable economic investment due to the purchase of equipment to reduce moisture; thus, when calculating financial indicators, the 40% scenario is the most attractive, as it is the current scenario. Thus, this methodology proposes a technology approach based on the use of advanced tools to predict moisture and representation of the system (Monte Carlo simulation), where the variability and uncertainty of the system are accurately represented. Therefore, this methodology is considered generic for any bioenergy generation system and not just for the poultry sector, whether it uses combustion or another type of technology. Copyright © 2017 Elsevier Ltd. All rights reserved.

Lecture 1. Monte Carlo basics. Lecture 2. Adjoint Monte Carlo. Lecture 3. Coupled Forward-Adjoint calculations

Energy Technology Data Exchange (ETDEWEB)

Hoogenboom, J.E. [Delft University of Technology, Interfaculty Reactor Institute, Delft (Netherlands)

2000-07-01

The Monte Carlo method is a statistical method to solve mathematical and physical problems using random numbers. The principle of the methods will be demonstrated for a simple mathematical problem and for neutron transport. Various types of estimators will be discussed, as well as generally applied variance reduction methods like splitting, Russian roulette and importance biasing. The theoretical formulation for solving eigenvalue problems for multiplying systems will be shown. Some reflections will be given about the applicability of the Monte Carlo method, its limitations and its future prospects for reactor physics calculations. Adjoint Monte Carlo is a Monte Carlo game to solve the adjoint neutron (or photon) transport equation. The adjoint transport equation can be interpreted in terms of simulating histories of artificial particles, which show properties of neutrons that move backwards in history. These particles will start their history at the detector from which the response must be estimated and give a contribution to the estimated quantity when they hit or pass through the neutron source. Application to multigroup transport formulation will be demonstrated Possible implementation for the continuous energy case will be outlined. The inherent advantages and disadvantages of the method will be discussed. The Midway Monte Carlo method will be presented for calculating a detector response due to a (neutron or photon) source. A derivation will be given of the basic formula for the Midway Monte Carlo method The black absorber technique, allowing for a cutoff of particle histories when reaching the midway surface in one of the calculations will be derived. An extension of the theory to coupled neutron-photon problems is given. The method will be demonstrated for an oil well logging problem, comprising a neutron source in a borehole and photon detectors to register the photons generated by inelastic neutron scattering. (author)

Lecture 1. Monte Carlo basics. Lecture 2. Adjoint Monte Carlo. Lecture 3. Coupled Forward-Adjoint calculations

International Nuclear Information System (INIS)

Hoogenboom, J.E.

2000-01-01

The Monte Carlo method is a statistical method to solve mathematical and physical problems using random numbers. The principle of the methods will be demonstrated for a simple mathematical problem and for neutron transport. Various types of estimators will be discussed, as well as generally applied variance reduction methods like splitting, Russian roulette and importance biasing. The theoretical formulation for solving eigenvalue problems for multiplying systems will be shown. Some reflections will be given about the applicability of the Monte Carlo method, its limitations and its future prospects for reactor physics calculations. Adjoint Monte Carlo is a Monte Carlo game to solve the adjoint neutron (or photon) transport equation. The adjoint transport equation can be interpreted in terms of simulating histories of artificial particles, which show properties of neutrons that move backwards in history. These particles will start their history at the detector from which the response must be estimated and give a contribution to the estimated quantity when they hit or pass through the neutron source. Application to multigroup transport formulation will be demonstrated Possible implementation for the continuous energy case will be outlined. The inherent advantages and disadvantages of the method will be discussed. The Midway Monte Carlo method will be presented for calculating a detector response due to a (neutron or photon) source. A derivation will be given of the basic formula for the Midway Monte Carlo method The black absorber technique, allowing for a cutoff of particle histories when reaching the midway surface in one of the calculations will be derived. An extension of the theory to coupled neutron-photon problems is given. The method will be demonstrated for an oil well logging problem, comprising a neutron source in a borehole and photon detectors to register the photons generated by inelastic neutron scattering. (author)

Monte Carlo applications to radiation shielding problems

International Nuclear Information System (INIS)

Subbaiah, K.V.

2009-01-01

Monte Carlo methods are a class of computational algorithms that rely on repeated random sampling of physical and mathematical systems to compute their results. However, basic concepts of MC are both simple and straightforward and can be learned by using a personal computer. Uses of Monte Carlo methods require large amounts of random numbers, and it was their use that spurred the development of pseudorandom number generators, which were far quicker to use than the tables of random numbers which had been previously used for statistical sampling. In Monte Carlo simulation of radiation transport, the history (track) of a particle is viewed as a random sequence of free flights that end with an interaction event where the particle changes its direction of movement, loses energy and, occasionally, produces secondary particles. The Monte Carlo simulation of a given experimental arrangement (e.g., an electron beam, coming from an accelerator and impinging on a water phantom) consists of the numerical generation of random histories. To simulate these histories we need an interaction model, i.e., a set of differential cross sections (DCS) for the relevant interaction mechanisms. The DCSs determine the probability distribution functions (pdf) of the random variables that characterize a track; 1) free path between successive interaction events, 2) type of interaction taking place and 3) energy loss and angular deflection in a particular event (and initial state of emitted secondary particles, if any). Once these pdfs are known, random histories can be generated by using appropriate sampling methods. If the number of generated histories is large enough, quantitative information on the transport process may be obtained by simply averaging over the simulated histories. The Monte Carlo method yields the same information as the solution of the Boltzmann transport equation, with the same interaction model, but is easier to implement. In particular, the simulation of radiation

Research on reactor physics analysis method based on Monte Carlo homogenization

International Nuclear Information System (INIS)

Ye Zhimin; Zhang Peng

2014-01-01

In order to meet the demand of nuclear energy market in the future, many new concepts of nuclear energy systems has been put forward. The traditional deterministic neutronics analysis method has been challenged in two aspects: one is the ability of generic geometry processing; the other is the multi-spectrum applicability of the multigroup cross section libraries. Due to its strong geometry modeling capability and the application of continuous energy cross section libraries, the Monte Carlo method has been widely used in reactor physics calculations, and more and more researches on Monte Carlo method has been carried out. Neutronics-thermal hydraulics coupling analysis based on Monte Carlo method has been realized. However, it still faces the problems of long computation time and slow convergence which make it not applicable to the reactor core fuel management simulations. Drawn from the deterministic core analysis method, a new two-step core analysis scheme is proposed in this work. Firstly, Monte Carlo simulations are performed for assembly, and the assembly homogenized multi-group cross sections are tallied at the same time. Secondly, the core diffusion calculations can be done with these multigroup cross sections. The new scheme can achieve high efficiency while maintain acceptable precision, so it can be used as an effective tool for the design and analysis of innovative nuclear energy systems. Numeric tests have been done in this work to verify the new scheme. (authors)

Monte Carlos of the new generation: status and progress

International Nuclear Information System (INIS)

Frixione, Stefano

2005-01-01

Standard parton shower monte carlos are designed to give reliable descriptions of low-pT physics. In the very high-energy regime of modern colliders, this is may lead to largely incorrect predictions of the basic reaction processes. This motivated the recent theoretical efforts aimed at improving monte carlos through the inclusion of matrix elements computed beyond the leading order in QCD. I briefly review the progress made, and discuss bottom production at the Tevatron

Wood gasification energy micro-generation system in Brazil- a Monte Carlo viability simulation

Directory of Open Access Journals (Sweden)

GLAUCIA APARECIDA PRATES

2018-03-01

Full Text Available The penetration of renewable energy into the electricity supply in Brazil is high, one of the highest in the World. Centralized hydroelectric generation is the main source of energy, followed by biomass and wind. Surprisingly, mini and micro-generation are negligible, with less than 2,000 connections to the national grid. In 2015, a new regulatory framework was put in place to change this situation. In the agricultural sector, the framework was complemented by the offer of low interest rate loans to in-farm renewable generation. Brazil proposed to more than double its area of planted forests as part of its INDC- Intended Nationally Determined Contributions to the UNFCCC-U.N. Framework Convention on Climate Change (UNFCCC. This is an ambitious target which will be achieved only if forests are attractive to farmers. Therefore, this paper analyses whether planting forests for in-farm energy generation with a with a woodchip gasifier is economically viable for microgeneration under the new framework and at if they could be an economic driver for forest plantation. At first, a static case was analyzed with data from Eucalyptus plantations in five farms. Then, a broader analysis developed with the use of Monte Carlo technique. Planting short rotation forests to generate energy could be a viable alternative and the low interest loans contribute to that. There are some barriers to such systems such as the inexistence of a mature market for small scale equipment and of a reference network of good practices and examples.

Collision of Physics and Software in the Monte Carlo Application Toolkit (MCATK)

Energy Technology Data Exchange (ETDEWEB)

Sweezy, Jeremy Ed [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2016-01-21

The topic is presented in a series of slides organized as follows: MCATK overview, development strategy, available algorithms, problem modeling (sources, geometry, data, tallies), parallelism, miscellaneous tools/features, example MCATK application, recent areas of research, and summary and future work. MCATK is a C++ component-based Monte Carlo neutron-gamma transport software library with continuous energy neutron and photon transport. Designed to build specialized applications and to provide new functionality in existing general-purpose Monte Carlo codes like MCNP, it reads ACE formatted nuclear data generated by NJOY. The motivation behind MCATK was to reduce costs. MCATK physics involves continuous energy neutron & gamma transport with multi-temperature treatment, static eigenvalue (k_eff and α) algorithms, time-dependent algorithm, and fission chain algorithms. MCATK geometry includes mesh geometries and solid body geometries. MCATK provides verified, unit-test Monte Carlo components, flexibility in Monte Carlo application development, and numerous tools such as geometry and cross section plotters.

Energy intensities: Prospects and potential

International Nuclear Information System (INIS)

Anon.

1992-01-01

In the previous chapter, the author described how rising activity levels and structural change are pushing toward higher energy use in many sectors and regions, especially in the developing countries. The extent to which more activity leads to greater energy use will depend on the energy intensity of end-use activities. In this chapter, the author presents an overview of the potential for intensity reductions in each sector over the next 10-20 years. It is not the author's intent to describe in detail the various technologies that could be employed to improve energy efficiency, which has been done by others (see, for example, Lovins ampersand Lovins, 1991; Goldembert et al., 1987). Rather, he discusses the key factors that will shape future energy intensities in different parts of the world, and gives a sense for the changes that could be attained if greater attention were given to accelerate efficiency improvement. The prospects for energy intensities, and the potential for reduction, vary among sectors and parts of the world. In the majority of cases, intensities are tending to decline as new equipment and facilities come into use and improvements are made on existing stocks. The effect of stock turnover will be especially strong in the developing countries, where stocks are growing at a rapid pace, and the Former East Bloc, where much of the existing industrial plant will eventually be retired and replaced with more modern facilities. While reductions in energy intensity are likely in most areas, there is a large divergence between the technical and economic potential for reducing energy intensities and the direction in which present trends are moving. In the next chapter, the author presents scenarios that illustrate where trends are pointing, and what could be achieved if improving energy efficiency were a focus of public policies. 53 refs., 4 figs., 2 tabs

Variational Monte Carlo calculations of few-body nuclei

Energy Technology Data Exchange (ETDEWEB)

Wiringa, R.B.

1986-01-01

The variational Monte Carlo method is described. Results for the binding energies, density distributions, momentum distributions, and static longitudinal structure functions of the /sup 3/H, /sup 3/He, and /sup 4/He ground states, and for the energies of the low-lying scattering states in /sup 4/He are presented. 25 refs., 3 figs.

Lattice gauge theories and Monte Carlo simulations

International Nuclear Information System (INIS)

Rebbi, C.

1981-11-01

After some preliminary considerations, the discussion of quantum gauge theories on a Euclidean lattice takes up the definition of Euclidean quantum theory and treatment of the continuum limit; analogy is made with statistical mechanics. Perturbative methods can produce useful results for strong or weak coupling. In the attempts to investigate the properties of the systems for intermediate coupling, numerical methods known as Monte Carlo simulations have proved valuable. The bulk of this paper illustrates the basic ideas underlying the Monte Carlo numerical techniques and the major results achieved with them according to the following program: Monte Carlo simulations (general theory, practical considerations), phase structure of Abelian and non-Abelian models, the observables (coefficient of the linear term in the potential between two static sources at large separation, mass of the lowest excited state with the quantum numbers of the vacuum (the so-called glueball), the potential between two static sources at very small distance, the critical temperature at which sources become deconfined), gauge fields coupled to basonic matter (Higgs) fields, and systems with fermions

Partial multicanonical algorithm for molecular dynamics and Monte Carlo simulations.

Science.gov (United States)

Okumura, Hisashi

2008-09-28

Partial multicanonical algorithm is proposed for molecular dynamics and Monte Carlo simulations. The partial multicanonical simulation samples a wide range of a part of the potential-energy terms, which is necessary to sample the conformational space widely, whereas a wide range of total potential energy is sampled in the multicanonical algorithm. Thus, one can concentrate the effort to determine the weight factor only on the important energy terms in the partial multicanonical simulation. The partial multicanonical, multicanonical, and canonical molecular dynamics algorithms were applied to an alanine dipeptide in explicit water solvent. The canonical simulation sampled the states of P(II), C(5), alpha(R), and alpha(P). The multicanonical simulation covered the alpha(L) state as well as these states. The partial multicanonical simulation also sampled the C(7) (ax) state in addition to the states that were sampled by the multicanonical simulation. In the partial multicanonical simulation, furthermore, backbone dihedral angles phi and psi rotated more frequently than those in the multicanonical and canonical simulations. These results mean that the partial multicanonical algorithm has a higher sampling efficiency than the multicanonical and canonical algorithms.

Monte Carlo Modeling of Dual and Triple Photon Energy Absorptiometry Technique

Directory of Open Access Journals (Sweden)

Alireza Kamali-Asl

2007-12-01

Full Text Available Introduction: Osteoporosis is a bone disease in which there is a reduction in the amount of bone mineral content leading to an increase in the risk of bone fractures. The affected individuals not only have to go through lots of pain and suffering but this disease also results in high economic costs to the society due to a large number of fractures.  A timely and accurate diagnosis of this disease makes it possible to start a treatment and thus preventing bone fractures as a result of osteoporosis. Radiographic methods are particularly well suited for in vivo determination of bone mineral density (BMD due to the relatively high x-ray absorption properties of bone mineral compared to other tissues. Materials and Methods: Monte Carlo simulation has been conducted to explore the possibilities of triple photon energy absorptiometry (TPA in the measurement of bone mineral content. The purpose of this technique is to correctly measure the bone mineral density in the presence of fatty and soft tissues. The same simulations have been done for a dual photon energy absorptiometry (DPA system and an extended DPA system. Results: Using DPA with three components improves the accuracy of the obtained result while the simulation results show that TPA system is not accurate enough to be considered as an adequate method for the measurement of bone mineral density. Discussion: The reason for the improvement in the accuracy is the consideration of fatty tissue in TPA method while having attenuation coefficient as a function of energy makes TPA an inadequate method. Conclusion: Using TPA method is not a perfect solution to overcome the problem of non uniformity in the distribution of fatty tissue.

Monte Carlo simulation of the X-ray response of a germanium microstrip detector with energy and position resolution

CERN Document Server

Rossi, G; Fajardo, P; Morse, J

1999-01-01

We present Monte Carlo computer simulations of the X-ray response of a micro-strip germanium detector over the energy range 30-100 keV. The detector consists of a linear array of lithographically defined 150 mu m wide strips on a high purity monolithic germanium crystal of 6 mm thickness. The simulation code is divided into two parts. We first consider a 10 mu m wide X-ray beam striking the detector surface at normal incidence and compute the interaction processes possible for each photon. Photon scattering and absorption inside the detector crystal are simulated using the EGS4 code with the LSCAT extension for low energies. A history of events is created of the deposited energies which is read by the second part of the code which computes the energy histogram for each detector strip. Appropriate algorithms are introduced to account for lateral charge spreading occurring during charge carrier drift to the detector surface, and Fano and preamplifier electronic noise contributions. Computed spectra for differen...

Neutron cross section library production code system for continuous energy Monte Carlo code MVP. LICEM

International Nuclear Information System (INIS)

Mori, Takamasa; Nakagawa, Masayuki; Kaneko, Kunio.

1996-05-01

A code system has been developed to produce neutron cross section libraries for the MVP continuous energy Monte Carlo code from an evaluated nuclear data library in the ENDF format. The code system consists of 9 computer codes, and can process nuclear data in the latest ENDF-6 format. By using the present system, MVP neutron cross section libraries for important nuclides in reactor core analyses, shielding and fusion neutronics calculations have been prepared from JENDL-3.1, JENDL-3.2, JENDL-FUSION file and ENDF/B-VI data bases. This report describes the format of MVP neutron cross section library, the details of each code in the code system and how to use them. (author)

Neutron cross section library production code system for continuous energy Monte Carlo code MVP. LICEM

Energy Technology Data Exchange (ETDEWEB)

Mori, Takamasa; Nakagawa, Masayuki [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment; Kaneko, Kunio

1996-05-01

A code system has been developed to produce neutron cross section libraries for the MVP continuous energy Monte Carlo code from an evaluated nuclear data library in the ENDF format. The code system consists of 9 computer codes, and can process nuclear data in the latest ENDF-6 format. By using the present system, MVP neutron cross section libraries for important nuclides in reactor core analyses, shielding and fusion neutronics calculations have been prepared from JENDL-3.1, JENDL-3.2, JENDL-FUSION file and ENDF/B-VI data bases. This report describes the format of MVP neutron cross section library, the details of each code in the code system and how to use them. (author).

Monte Carlo modeling of the net effects of coma scattering and thermal reradiation on the energy input to cometary nucleus

International Nuclear Information System (INIS)

Salo, H.

1988-01-01

A Monte Carlo simulation method is presented that can, to an accuracy of a few percent, calculate the effects of a dusty coma on the total energy input to the cometary nucleus. This method treats nonconservative nonisotropic scattering, as well as the reflection from the nucleus surface. Results are presented as a function of the optical thickness of the dust column in the sun-comet axis. The total energy input to the nucleus appears to be only weakly dependent on the opacity of the coma, the radial distribution of the dust, or the details of the extinction processes. 18 references

Preliminary investigations of Monte Carlo Simulations of neutron energy and LET spectra for fast neutron therapy facilities

International Nuclear Information System (INIS)

Kroc, T.K.

2009-01-01

No fast neutron therapy facility has been built with optimized beam quality based on a thorough understanding of the neutron spectrum and its resulting biological effectiveness. A study has been initiated to provide the information necessary for such an optimization. Monte Carlo studies will be used to simulate neutron energy spectra and LET spectra. These studies will be bench-marked with data taken at existing fast neutron therapy facilities. Results will also be compared with radiobiological studies to further support beam quality ptimization. These simulations, anchored by this data, will then be used to determine what parameters might be optimized to take full advantage of the unique LET properties of fast neutron beams. This paper will present preliminary work in generating energy and LET spectra for the Fermilab fast neutron therapy facility.

Fossil energy savings potential of sugar cane bio-energy systems

DEFF Research Database (Denmark)

Nguyen, Thu Lan T; Hermansen, John Erik; Sagisaka, Masayuki

2009-01-01

One important rationale for bio-energy systems is their potential to save fossil energy. Converting a conventional sugar mill into a bio-energy process plant would contribute to fossil energy savings via the extraction of renewable electricity and ethanol substituting for fossil electricity...... and gasoline, respectively. This paper takes a closer look at the Thai sugar industry and examines two practical approaches that will enhance fossil energy savings. The first one addresses an efficient extraction of energy in the form of electricity from the excess bagasse and cane trash. The second while...... proposing to convert molasses or sugar cane to ethanol stresses the use of bagasse as well as distillery spent wash to replace coal in meeting ethanol plants' energy needs. The savings potential achieved with extracting ethanol from surplus sugar versus current practice in sugar industry in Thailand amounts...

Gamma ray energy loss spectra simulation in NaI detectors with the Monte Carlo method

International Nuclear Information System (INIS)

Vieira, W.J.

1982-01-01

With the aim of studying and applying the Monte Carlo method, a computer code was developed to calculate the pulse height spectra and detector efficiencies for gamma rays incident on NaI (Tl) crystals. The basic detector processes in NaI (Tl) detectors are given together with an outline of Monte Carlo methods and a general review of relevant published works. A detailed description of the application of Monte Carlo methods to ν-ray detection in NaI (Tl) detectors is given. Comparisons are made with published, calculated and experimental, data. (Author) [pt

Successful vectorization - reactor physics Monte Carlo code

International Nuclear Information System (INIS)

Martin, W.R.

1989-01-01

Most particle transport Monte Carlo codes in use today are based on the ''history-based'' algorithm, wherein one particle history at a time is simulated. Unfortunately, the ''history-based'' approach (present in all Monte Carlo codes until recent years) is inherently scalar and cannot be vectorized. In particular, the history-based algorithm cannot take advantage of vector architectures, which characterize the largest and fastest computers at the current time, vector supercomputers such as the Cray X/MP or IBM 3090/600. However, substantial progress has been made in recent years in developing and implementing a vectorized Monte Carlo algorithm. This algorithm follows portions of many particle histories at the same time and forms the basis for all successful vectorized Monte Carlo codes that are in use today. This paper describes the basic vectorized algorithm along with descriptions of several variations that have been developed by different researchers for specific applications. These applications have been mainly in the areas of neutron transport in nuclear reactor and shielding analysis and photon transport in fusion plasmas. The relative merits of the various approach schemes will be discussed and the present status of known vectorization efforts will be summarized along with available timing results, including results from the successful vectorization of 3-D general geometry, continuous energy Monte Carlo. (orig.)

New strategies of sensitivity analysis capabilities in continuous-energy Monte Carlo code RMC

International Nuclear Information System (INIS)

Qiu, Yishu; Liang, Jingang; Wang, Kan; Yu, Jiankai

2015-01-01

Highlights: • Data decomposition techniques are proposed for memory reduction. • New strategies are put forward and implemented in RMC code to improve efficiency and accuracy for sensitivity calculations. • A capability to compute region-specific sensitivity coefficients is developed in RMC code. - Abstract: The iterated fission probability (IFP) method has been demonstrated to be an accurate alternative for estimating the adjoint-weighted parameters in continuous-energy Monte Carlo forward calculations. However, the memory requirements of this method are huge especially when a large number of sensitivity coefficients are desired. Therefore, data decomposition techniques are proposed in this work. Two parallel strategies based on the neutron production rate (NPR) estimator and the fission neutron population (FNP) estimator for adjoint fluxes, as well as a more efficient algorithm which has multiple overlapping blocks (MOB) in a cycle, are investigated and implemented in the continuous-energy Reactor Monte Carlo code RMC for sensitivity analysis. Furthermore, a region-specific sensitivity analysis capability is developed in RMC. These new strategies, algorithms and capabilities are verified against analytic solutions of a multi-group infinite-medium problem and against results from other software packages including MCNP6, TSUANAMI-1D and multi-group TSUNAMI-3D. While the results generated by the NPR and FNP strategies agree within 0.1% of the analytic sensitivity coefficients, the MOB strategy surprisingly produces sensitivity coefficients exactly equal to the analytic ones. Meanwhile, the results generated by the three strategies in RMC are in agreement with those produced by other codes within a few percent. Moreover, the MOB strategy performs the most efficient sensitivity coefficient calculations (offering as much as an order of magnitude gain in FoMs over MCNP6), followed by the NPR and FNP strategies, and then MCNP6. The results also reveal that these

Monte-Carlo error analysis in x-ray spectral deconvolution

International Nuclear Information System (INIS)

Shirk, D.G.; Hoffman, N.M.

1985-01-01

The deconvolution of spectral information from sparse x-ray data is a widely encountered problem in data analysis. An often-neglected aspect of this problem is the propagation of random error in the deconvolution process. We have developed a Monte-Carlo approach that enables us to attach error bars to unfolded x-ray spectra. Our Monte-Carlo error analysis has been incorporated into two specific deconvolution techniques: the first is an iterative convergent weight method; the second is a singular-value-decomposition (SVD) method. These two methods were applied to an x-ray spectral deconvolution problem having m channels of observations with n points in energy space. When m is less than n, this problem has no unique solution. We discuss the systematics of nonunique solutions and energy-dependent error bars for both methods. The Monte-Carlo approach has a particular benefit in relation to the SVD method: It allows us to apply the constraint of spectral nonnegativity after the SVD deconvolution rather than before. Consequently, we can identify inconsistencies between different detector channels

Nuclear three-body problem and energy-dependent potentials

International Nuclear Information System (INIS)

Abdurakhmanov, A.; Akhmadkhodzhaev, B.; Zubarev, A.L.; Irgaziev, B.F.

1985-01-01

Energy-dependent potentials in the three-body problem are being considered. Three-particle equations for the case of pairing energy-dependent potentials are generalized and the problems related to this ambiguous generalization are investigated. In terms of the equations obtained the tritium binding energy and vertex coupling constants (Tdn) and (Tdν) are evaluated. The binding energy and, especially, coupling constants are shown to be sensitive to a shape of the energy-dependent potential

Coded aperture optimization using Monte Carlo simulations

International Nuclear Information System (INIS)

Martineau, A.; Rocchisani, J.M.; Moretti, J.L.

2010-01-01

Coded apertures using Uniformly Redundant Arrays (URA) have been unsuccessfully evaluated for two-dimensional and three-dimensional imaging in Nuclear Medicine. The images reconstructed from coded projections contain artifacts and suffer from poor spatial resolution in the longitudinal direction. We introduce a Maximum-Likelihood Expectation-Maximization (MLEM) algorithm for three-dimensional coded aperture imaging which uses a projection matrix calculated by Monte Carlo simulations. The aim of the algorithm is to reduce artifacts and improve the three-dimensional spatial resolution in the reconstructed images. Firstly, we present the validation of GATE (Geant4 Application for Emission Tomography) for Monte Carlo simulations of a coded mask installed on a clinical gamma camera. The coded mask modelling was validated by comparison between experimental and simulated data in terms of energy spectra, sensitivity and spatial resolution. In the second part of the study, we use the validated model to calculate the projection matrix with Monte Carlo simulations. A three-dimensional thyroid phantom study was performed to compare the performance of the three-dimensional MLEM reconstruction with conventional correlation method. The results indicate that the artifacts are reduced and three-dimensional spatial resolution is improved with the Monte Carlo-based MLEM reconstruction.

Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

Science.gov (United States)

Azadi, Sam; Kühne, T. D.

2018-05-01

The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

A computer code package for electron transport Monte Carlo simulation

International Nuclear Information System (INIS)

Popescu, Lucretiu M.

1999-01-01

A computer code package was developed for solving various electron transport problems by Monte Carlo simulation. It is based on condensed history Monte Carlo algorithm. In order to get reliable results over wide ranges of electron energies and target atomic numbers, specific techniques of electron transport were implemented such as: Moliere multiscatter angular distributions, Blunck-Leisegang multiscatter energy distribution, sampling of electron-electron and Bremsstrahlung individual interactions. Path-length and lateral displacement corrections algorithms and the module for computing collision, radiative and total restricted stopping powers and ranges of electrons are also included. Comparisons of simulation results with experimental measurements are finally presented. (author)

Flat-histogram methods in quantum Monte Carlo simulations: Application to the t-J model

International Nuclear Information System (INIS)

Diamantis, Nikolaos G.; Manousakis, Efstratios

2016-01-01

We discuss that flat-histogram techniques can be appropriately applied in the sampling of quantum Monte Carlo simulation in order to improve the statistical quality of the results at long imaginary time or low excitation energy. Typical imaginary-time correlation functions calculated in quantum Monte Carlo are subject to exponentially growing errors as the range of imaginary time grows and this smears the information on the low energy excitations. We show that we can extract the low energy physics by modifying the Monte Carlo sampling technique to one in which configurations which contribute to making the histogram of certain quantities flat are promoted. We apply the diagrammatic Monte Carlo (diag-MC) method to the motion of a single hole in the t-J model and we show that the implementation of flat-histogram techniques allows us to calculate the Green's function in a wide range of imaginary-time. In addition, we show that applying the flat-histogram technique alleviates the “sign”-problem associated with the simulation of the single-hole Green's function at long imaginary time. (paper)

Steam systems in industry: Energy use and energy efficiency improvement potentials

International Nuclear Information System (INIS)

Einstein, Dan; Worrell, Ernst; Khrushch, Marta

2001-01-01

Steam systems are a part of almost every major industrial process today. Thirty-seven percent of the fossil fuel burned in US industry is burned to produce steam. In this paper we will establish baseline energy consumption for steam systems. Based on a detailed analysis of boiler energy use we estimate current energy use in boilers in U.S. industry at 6.1 Quads (6.4 EJ), emitting almost 66 MtC in CO(sub 2) emissions. We will discuss fuels used and boiler size distribution. We also describe potential savings measures, and estimate the economic energy savings potential in U.S. industry (i.e. having payback period of 3 years or less). We estimate the nationwide economic potential, based on the evaluation of 16 individual measures in steam generation and distribution. The analysis excludes the efficient use of steam and increased heat recovery. Based on the analysis we estimate the economic potential at 18-20% of total boiler energy use, resulting in energy savings approximately 1120-1190 TBtu ( 1180-1260 PJ). This results in a reduction of CO(sub 2) emissions equivalent to 12-13 MtC

Canadian wind energy technical and market potential

International Nuclear Information System (INIS)

Templin, R.J.; Rangli, R.S.

1992-01-01

The current status of wind energy technology in Canada is reviewed, the technical potential of wind energy in Canada is estimated, and the economic market potential is assessed under several scenarios over about the next 25 years. The technical potential is seen to be large, with applications to water pumping on farms, the coupling of wind turbines to diesel-electric systems in remote communities where fuel costs are high, and the supply of electricity to main power grids. The main-grid application has greatest technical potential, but it cannot be economically exploited under the present utility buyback rate structure for intermittent power sources. A change in government policy toward market development of renewable energy sources, such as is already taking place in several European countries, would greatly increase market potential, decrease emissions of CO 2 and SO 2 , and benefit the Canadian wind energy industry. 2 figs., 1 tab

Energy performance contracting - energy saving potential of selected energy conservation measures (ECM)

Energy Technology Data Exchange (ETDEWEB)

Johansson, M. (Dansk Energi Analyse A/S, Frederiksberg (Denmark)); Langkilde, G.; Olesen, Bjarne W. (Technical Univ. of Denmark, ICIEE, Kgs. Lyngby (Denmark)); Moerck, O. (Cenergia Energy Consultants, Herlev (Denmark)); Sundman, O. (DONG Energy, Copenhagen (Denmark)); Engelund Thomsen, K. (Aalborg Univ., SBi, Hoersholm (Denmark))

2008-09-15

This report has been developed under the research project 'Etablering af grundlag for energitjenester i Danmark' (project number: ENS-33031-0185) under the Danish research programme - EFP. The objective of this project has been to contribute to the utilisation of the large potential for energy conservations in the building sector within the public, industry and service sectors through the development of a better basis for decision making for both the Energy Service Companies (ESCOes) and the building owners. The EU directive on Energy Service Contracting points at the buildings as the area where the biggest potential market for energy services and energy efficiency improvements are. The EFP-project has two parts: (1) A Danish part and (2) participation in the international cooperation project 'Holistic Assesment Tool-Kit on Energy Efficient Retrofit Measures for Government Buildings (EnERGo)', Annex 46 under the IEA R and D program 'Energy Conservation In Buildings And Community Systems' (ECBCS). This report describes the Danish contributions to the IEA projects subtask B, which has a primary objective to develop a database of energy conservation measures (ECM) with descriptions and performance characteristics of these. (au)

Energy performance contracting - energy saving potential of selected energy conservation measures (ECM)

Energy Technology Data Exchange (ETDEWEB)

Johansson, M [Dansk Energi Analyse A/S, Frederiksberg (Denmark); Langkilde, G; Olesen, Bjarne W [Technical Univ. of Denmark, ICIEE, Kgs. Lyngby (Denmark); Moerck, O [Cenergia Energy Consultants, Herlev (Denmark); Sundman, O [DONG Energy, Copenhagen (Denmark); Engelund Thomsen, K [Aalborg Univ., SBi, Hoersholm (Denmark)

2008-09-15

This report has been developed under the research project 'Etablering af grundlag for energitjenester i Danmark' (project number: ENS-33031-0185) under the Danish research programme - EFP. The objective of this project has been to contribute to the utilisation of the large potential for energy conservations in the building sector within the public, industry and service sectors through the development of a better basis for decision making for both the Energy Service Companies (ESCOes) and the building owners. The EU directive on Energy Service Contracting points at the buildings as the area where the biggest potential market for energy services and energy efficiency improvements are. The EFP-project has two parts: (1) A Danish part and (2) participation in the international cooperation project 'Holistic Assesment Tool-Kit on Energy Efficient Retrofit Measures for Government Buildings (EnERGo)', Annex 46 under the IEA R and D program 'Energy Conservation In Buildings And Community Systems' (ECBCS). This report describes the Danish contributions to the IEA projects subtask B, which has a primary objective to develop a database of energy conservation measures (ECM) with descriptions and performance characteristics of these. (au)

Enhanced Monte-Carlo-Linked Depletion Capabilities in MCNPX

International Nuclear Information System (INIS)

Fensin, Michael L.; Hendricks, John S.; Anghaie, Samim

2006-01-01

As advanced reactor concepts challenge the accuracy of current modeling technologies, a higher-fidelity depletion calculation is necessary to model time-dependent core reactivity properly for accurate cycle length and safety margin determinations. The recent integration of CINDER90 into the MCNPX Monte Carlo radiation transport code provides a completely self-contained Monte-Carlo-linked depletion capability. Two advances have been made in the latest MCNPX capability based on problems observed in pre-released versions: continuous energy collision density tracking and proper fission yield selection. Pre-released versions of the MCNPX depletion code calculated the reaction rates for (n,2n), (n,3n), (n,p), (n,a), and (n,?) by matching the MCNPX steady-state 63-group flux with 63-group cross sections inherent in the CINDER90 library and then collapsing to one-group collision densities for the depletion calculation. This procedure led to inaccuracies due to the miscalculation of the reaction rates resulting from the collapsed multi-group approach. The current version of MCNPX eliminates this problem by using collapsed one-group collision densities generated from continuous energy reaction rates determined during the MCNPX steady-state calculation. MCNPX also now explicitly determines the proper fission yield to be used by the CINDER90 code for the depletion calculation. The CINDER90 code offers a thermal, fast, and high-energy fission yield for each fissile isotope contained in the CINDER90 data file. MCNPX determines which fission yield to use for a specified problem by calculating the integral fission rate for the defined energy boundaries (thermal, fast, and high energy), determining which energy range contains the majority of fissions, and then selecting the appropriate fission yield for the energy range containing the majority of fissions. The MCNPX depletion capability enables complete, relatively easy-to-use depletion calculations in a single Monte Carlo code

Spatial mapping of renewable energy potential

Energy Technology Data Exchange (ETDEWEB)

Ramachandra, T.V. [Centre for Sustainable Technologies, Indian Institute of Science, Bangalore (India); Energy Research Group, CES RNO 215, Centre for Ecological Sciences, Indian Institute of Science, Bangalore 560 012 (India); Shruthi, B.V. [Energy Research Group, CES RNO 215, Centre for Ecological Sciences, Indian Institute of Science, Bangalore 560 012 (India)

2007-09-15

An energy resource that is renewed by nature and whose supply is not affected by the rate of consumption is often termed as renewable energy. The need to search for renewable, alternate and non-polluting sources of energy assumes top priority for self-reliance in the regional energy supply. This demands an estimation of available energy resources spatially to evolve better management strategies for ensuring sustainability of resources. The spatial mapping of availability and demand of energy resources would help in the integrated regional energy planning through an appropriate energy supply-demand matching. This paper discusses the application of Geographical Information System (GIS) to map the renewable energy potential talukwise in Karnataka State, India. Taluk is an administrative division in the federal set-up in India to implement developmental programmes like dissemination of biogas, improved stoves, etc. Hence, this paper focuses talukwise mapping of renewable energy (solar, wind, bioenergy and small hydroenergy) potential for Karnataka using GIS. GIS helps in spatial and temporal analyses of the resources and demand and also aids as Decision Support System while implementing location-specific renewable energy technologies. Regions suitable for tapping solar energy are mapped based on global solar radiation data, which provides a picture of the potential. Coastal taluks in Uttara Kannada have higher global solar radiation during summer (6.31 kWh/m{sup 2}), monsoon (4.16 kWh/m{sup 2}) and winter (5.48 kWh/m{sup 2}). Mapping of regions suitable for tapping wind energy has been done based on wind velocity data, and it shows that Chikkodi taluk, Belgaum district, has higher potential during summer (6.06 m/s), monsoon (8.27 m/s) and winter (5.19 m/s). Mysore district has the maximum number of small hydropower plants with a capacity of 36 MW. Talukwise computation of bioenergy availability from agricultural residue, forest, horticulture, plantation and livestock

An assessement of global energy resource economic potentials

International Nuclear Information System (INIS)

Mercure, Jean-François; Salas, Pablo

2012-01-01

This paper presents an assessment of global economic energy potentials for all major natural energy resources. This work is based on both an extensive literature review and calculations using natural resource assessment data. Economic potentials are presented in the form of cost-supply curves, in terms of energy flows for renewable energy sources, or fixed amounts for fossil and nuclear resources, with strong emphasis on uncertainty, using a consistent methodology that allow direct comparisons to be made. In order to interpolate through available resource assessment data and associated uncertainty, a theoretical framework and a computational methodology are given based on statistical properties of different types of resources, justified empirically by the data, and used throughout. This work aims to provide a global database for natural energy resources ready to integrate into models of energy systems, enabling to introduce at the same time uncertainty over natural resource assessments. The supplementary material provides theoretical details and tables of data and parameters that enable this extensive database to be adapted to a variety of energy systems modelling frameworks. -- Highlights: ► Global energy potentials for all major energy resources are reported. ► Theory and methodology for calculating economic energy potentials is given. ► An uncertainty analysis for all energy economic potentials is carried out.

RUSTEC: Greening Europe's energy supply by developing Russia's renewable energy potential

International Nuclear Information System (INIS)

Boute, Anatole; Willems, Patrick

2012-01-01

The North-West of Russia is characterized by a large renewable energy resource base in geographic proximity to the EU. At the same time, EU Member States are bound by mandatory renewable energy targets which could prove to be costly to achieve in the current budgetary context and which often face strong local opposition. Directive 2009/28/EC on Renewable Energy makes it possible for Member States to achieve their targets by importing electricity produced from renewable energy sources from non-EU countries. So far, most attention has been on the Mediterranean Solar Plan or Desertec. An EU–Russia Renewable Energy Plan or RUSTEC – being based on onshore wind/biomass/hydro energy and on-land interconnection, rather than solar power and subsea lines – could present a cost-efficient and short-term complement to Desertec. This article examines the political, geopolitical, economic, social and legal challenges and opportunities of exporting “green” energy from Russia to the EU. It argues that EU–Russian cooperation in the renewable energy field would present a win-win situation: Member States could achieve their targets on the basis of Russia's renewable energy potential, while Russia could begin to develop a national renewable energy industry without risking potential price increases for domestic consumers—a concern of great political sensitivity in Russia. - Highlights: ► Russia has a huge renewable energy potential in geographic proximity to the EU. ► This potential could help the EU decarbonize its electricity supply at least cost.► EU–Russia green energy export is a win-win situation but lacks political attention.► RUSTEC could be a short-term and cost-efficient complement to Desertec. ► RUSTEC would diversify EU energy imports/Russian exports and stimulate innovation.

Photon energy-modulated radiotherapy: Monte Carlo simulation and treatment planning study

Energy Technology Data Exchange (ETDEWEB)

Park, Jong Min; Kim, Jung-in; Heon Choi, Chang; Chie, Eui Kyu; Kim, Il Han; Ye, Sung-Joon [Interdiciplinary Program in Radiation Applied Life Science, Seoul National University, Seoul, 110-744, Korea and Department of Radiation Oncology, Seoul National University Hospital, Seoul, 110-744 (Korea, Republic of); Interdiciplinary Program in Radiation Applied Life Science, Seoul National University, Seoul, 110-744 (Korea, Republic of); Department of Radiation Oncology, Seoul National University Hospital, Seoul, 110-744 (Korea, Republic of); Interdiciplinary Program in Radiation Applied Life Science, Seoul National University, Seoul, 110-744 (Korea, Republic of) and Department of Radiation Oncology, Seoul National University Hospital, Seoul, 110-744 (Korea, Republic of); Interdiciplinary Program in Radiation Applied Life Science, Seoul National University, Seoul, 110-744 (Korea, Republic of); Department of Radiation Oncology, Seoul National University Hospital, Seoul, 110-744 (Korea, Republic of) and Department of Intelligent Convergence Systems, Seoul National University, Seoul, 151-742 (Korea, Republic of)

2012-03-15

Purpose: To demonstrate the feasibility of photon energy-modulated radiotherapy during beam-on time. Methods: A cylindrical device made of aluminum was conceptually proposed as an energy modulator. The frame of the device was connected with 20 tubes through which mercury could be injected or drained to adjust the thickness of mercury along the beam axis. In Monte Carlo (MC) simulations, a flattening filter of 6 or 10 MV linac was replaced with the device. The thickness of mercury inside the device varied from 0 to 40 mm at the field sizes of 5 x 5 cm{sup 2} (FS5), 10 x 10 cm{sup 2} (FS10), and 20 x 20 cm{sup 2} (FS20). At least 5 billion histories were followed for each simulation to create phase space files at 100 cm source to surface distance (SSD). In-water beam data were acquired by additional MC simulations using the above phase space files. A treatment planning system (TPS) was commissioned to generate a virtual machine using the MC-generated beam data. Intensity modulated radiation therapy (IMRT) plans for six clinical cases were generated using conventional 6 MV, 6 MV flattening filter free, and energy-modulated photon beams of the virtual machine. Results: As increasing the thickness of mercury, Percentage depth doses (PDD) of modulated 6 and 10 MV after the depth of dose maximum were continuously increased. The amount of PDD increase at the depth of 10 and 20 cm for modulated 6 MV was 4.8% and 5.2% at FS5, 3.9% and 5.0% at FS10 and 3.2%-4.9% at FS20 as increasing the thickness of mercury from 0 to 20 mm. The same for modulated 10 MV was 4.5% and 5.0% at FS5, 3.8% and 4.7% at FS10 and 4.1% and 4.8% at FS20 as increasing the thickness of mercury from 0 to 25 mm. The outputs of modulated 6 MV with 20 mm mercury and of modulated 10 MV with 25 mm mercury were reduced into 30%, and 56% of conventional linac, respectively. The energy-modulated IMRT plans had less integral doses than 6 MV IMRT or 6 MV flattening filter free plans for tumors located in the

Natural potential of erosion in the periurbane area of São Carlos - SP

Directory of Open Access Journals (Sweden)

Fábio G. Pedro

2004-07-01

Full Text Available The population growth in urban areas is speeding up the opening of new land parceling, which due to the emergencial characteristics has been done without proper land use planning. This intensive and non-ordered antropic occupation of the urban perimeter is inducing serious erosion problems. To minimize environmental impacts of new antropic occupations is necessary to obtain information of the physical environment properties, mainly related to erosion risk factors. The Universal Soil Loss Equation (USLE developed in the USA has been widely used for the American land use planning and allows determining areas with higher erosion risk in urban areas. The soil and climate (rain parameters joined to the topography, indicate the Natural Erosion Potential of the USLE, when the antropic influence is not taken into consideration. It was done a Natural Erosion Potential map of the urban perimeter of São Carlos city (Brazil, in the scale of 1:10,000 using IDRISI 32 GIS, aiming to indicate the higher risk areas to erosion. The map of Natural Erosion Potential (PNE allowed identifying that the lowest values of PNE occurred at the Northeast, of the studied region, where the land could be used for urban expansion. By the other hand it was found that at Southwest and Southeast the values of PNE, were high, indicating them to be areas not favorable to urban expansion due to higher erosion risk.

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

Energy Technology Data Exchange (ETDEWEB)

Alcaraz, Olga; Trullàs, Joaquim, E-mail: quim.trullas@upc.edu [Departament de Física i Enginyeria Nuclear, Universitat Politècnica de Catalunya, Campus Nord UPC B4-B5, 08034 Barcelona (Spain); Tahara, Shuta [Department of Physics and Earth Sciences, Faculty of Science, University of the Ryukyus, Okinawa 903-0213 (Japan); Kawakita, Yukinobu [J-PARC Center, Japan Atomic Energy Agency (JAEA), Ibaraki 319-1195 (Japan); Takeda, Shin’ichi [Department of Physics, Faculty of Sciences, Kyushu University, Fukuoka 819-0395 (Japan)

2016-09-07

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å{sup −1} related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

The structure of molten CuCl: Reverse Monte Carlo modeling with high-energy X-ray diffraction data and molecular dynamics of a polarizable ion model

International Nuclear Information System (INIS)

Alcaraz, Olga; Trullàs, Joaquim; Tahara, Shuta; Kawakita, Yukinobu; Takeda, Shin’ichi

2016-01-01

The results of the structural properties of molten copper chloride are reported from high-energy X-ray diffraction measurements, reverse Monte Carlo modeling method, and molecular dynamics simulations using a polarizable ion model. The simulated X-ray structure factor reproduces all trends observed experimentally, in particular the shoulder at around 1 Å −1 related to intermediate range ordering, as well as the partial copper-copper correlations from the reverse Monte Carlo modeling, which cannot be reproduced by using a simple rigid ion model. It is shown that the shoulder comes from intermediate range copper-copper correlations caused by the polarized chlorides.

Monte Carlo simulation of grain growth

Directory of Open Access Journals (Sweden)

Paulo Blikstein

1999-07-01

Full Text Available Understanding and predicting grain growth in Metallurgy is meaningful. Monte Carlo methods have been used in computer simulations in many different fields of knowledge. Grain growth simulation using this method is especially attractive as the statistical behavior of the atoms is properly reproduced; microstructural evolution depends only on the real topology of the grains and not on any kind of geometric simplification. Computer simulation has the advantage of allowing the user to visualize graphically the procedures, even dynamically and in three dimensions. Single-phase alloy grain growth simulation was carried out by calculating the free energy of each atom in the lattice (with its present crystallographic orientation and comparing this value to another one calculated with a different random orientation. When the resulting free energy is lower or equal to the initial value, the new orientation replaces the former. The measure of time is the Monte Carlo Step (MCS, which involves a series of trials throughout the lattice. A very close relationship between experimental and theoretical values for the grain growth exponent (n was observed.

Vectorization of phase space Monte Carlo code in FACOM vector processor VP-200

International Nuclear Information System (INIS)

Miura, Kenichi

1986-01-01

This paper describes the vectorization techniques for Monte Carlo codes in Fujitsu's Vector Processor System. The phase space Monte Carlo code FOWL is selected as a benchmark, and scalar and vector performances are compared. The vectorized kernel Monte Carlo routine which contains heavily nested IF tests runs up to 7.9 times faster in vector mode than in scalar mode. The overall performance improvement of the vectorized FOWL code over the original scalar code reaches 3.3. The results of this study strongly indicate that supercomputer can be a powerful tool for Monte Carlo simulations in high energy physics. (Auth.)

Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods

International Nuclear Information System (INIS)

Bajdich, Michal; Kolorenc, Jindrich; Mitas, Lubos; Reynolds, P.J.

2010-01-01

We discuss the importance of the fermion nodes for the quantum Monte Carlo (QMC) methods and find two cases of the exact nodes. We describe the structure of the generalized pairing wave functions in Pfaffian antisymmetric form and demonstrate their equivalency with certain class of configuration interaction wave functions. We present the QMC calculations of a model fermion system at unitary limit. We find the system to have the energy of E = 0.425Efree and the condensate fraction of = 0.48. Further we also perform the QMC calculations of the potential energy surface and the electric dipole moment along that surface of the LiSr molecule. We estimate the vibrationally averaged dipole moment to be D =0 = 0.4(2).

Monte Carlo simulation of a medical linear accelerator for radiotherapy use

International Nuclear Information System (INIS)

Serrano, B.; Hachem, A.; Franchisseur, E.; Herault, J.; Marcie, S.; Costa, A.; Bensadoun, R. J.; Barthe, J.; Gerard, J. P.

2006-01-01

A Monte Carlo code MCNPX (Monte Carlo N-particle) was used to model a 25 MV photon beam from a PRIMUS (KD2-Siemens) medical linear electron accelerator at the Centre Antoine Lacassagne in Nice. The entire geometry including the accelerator head and the water phantom was simulated to calculate the dose profile and the relative depth-dose distribution. The measurements were done using an ionisation chamber in water for different square field ranges. The first results show that the mean electron beam energy is not 19 MeV as mentioned by Siemens. The adjustment between the Monte Carlo calculated and measured data is obtained when the mean electron beam energy is ∼15 MeV. These encouraging results will permit to check calculation data given by the treatment planning system, especially for small fields in high gradient heterogeneous zones, typical for intensity modulated radiation therapy technique. (authors)

The potential of (waste)water as energy carrier

International Nuclear Information System (INIS)

Frijns, Jos; Hofman, Jan; Nederlof, Maarten

2013-01-01

Graphical abstract: Energy input and potential output of the Dutch communal water cycle. Highlights: ► Municipal wastewater is a large carrier of chemical and thermal energy. ► The recovery of chemical energy from wastewater can be maximised by digestion. ► The potential of thermal energy recovery from wastewater is huge. ► Underground thermal energy storage is a rapidly developing renewable energy source. - Abstract: Next to energy efficiency improvements in the water sector, there is a need for new concepts in which water is viewed as a carrier of energy. Municipal wastewater is a potential source of chemical energy, i.e. organic carbon that can be recovered as biogas in sludge digestion. The recovery of chemical energy can be maximised by up-concentration of organic carbon and maximised sludge digestion or by source separation and anaerobic treatment. Even more so, domestic wastewater is a source of thermal energy. Through warm water conservation and heat recovery, for example with shower heat exchangers, substantial amounts of energy can be saved and recovered from the water cycle. Water can also be an important renewable energy source, i.e. as underground thermal energy storage. These systems are developing rapidly in the Netherlands and their energy potential is large.

Wave Energy Potential in the Latvian EEZ

Science.gov (United States)

Beriņš, J.; Beriņš, J.; Kalnačs, J.; Kalnačs, A.

2016-06-01

The present article deals with one of the alternative forms of energy - sea wave energy potential in the Latvian Exclusice Economic Zone (EEZ). Results have been achieved using a new method - VEVPP. Calculations have been performed using the data on wave parameters over the past five years (2010-2014). We have also considered wave energy potential in the Gulf of Riga. The conclusions have been drawn on the recommended methodology for the sea wave potential and power calculations for wave-power plant pre-design stage.

Nuclear energy: potentiality and implications

International Nuclear Information System (INIS)

Bahgat, Gawdat

2008-01-01

After a discussion about a broad definition of energy security and about the main challenges facing a potential nuclear renaissance, the article analyses how the European Union and the United States have addressed these challenges. There is no doubt that nuclear power will remain an important component of global energy mix, but it should not be seen as a panacea to the flows in the global energy markets [it

Statistical analysis for discrimination of prompt gamma ray peak induced by high energy neutron: Monte Carlo simulation study

International Nuclear Information System (INIS)

Do-Kun Yoon; Joo-Young Jung; Tae Suk Suh; Seong-Min Han

2015-01-01

The purpose of this research is a statistical analysis for discrimination of prompt gamma ray peak induced by the 14.1 MeV neutron particles from spectra using Monte Carlo simulation. For the simulation, the information of 18 detector materials was used to simulate spectra by the neutron capture reaction. The discrimination of nine prompt gamma ray peaks from the simulation of each detector material was performed. We presented the several comparison indexes of energy resolution performance depending on the detector material using the simulation and statistics for the prompt gamma activation analysis. (author)

Probing potential energy curves of C2- by translational energy spectrometry

International Nuclear Information System (INIS)

Gupta, A.K.; Aravind, G.; Krishnamurthy, M.

2004-01-01

We present studies on collision induced dissociation of C 2 - with Ar at an impact energy of 15 keV. The C - fragment ion kinetic-energy release (KER) distribution is measured and is used to compute the KER in the center of mass (c.m.) frame (KER c.m. ). We employ the reflection method to deduce an effective repulsive potential-energy curve for the molecular anion that is otherwise difficult to evaluate from quantum computational methods. The nuclear wave packet of the molecular ion in the initial ground state is computed by the semiclassical WKB method using the potential-energy curve of the 2 Σ g + ground electronic state calculated by an ab initio quantum computation method. The ground-state nuclear wave packet is reflected on a parametrized repulsive potential-energy curve where the parameters are determined by fitting the measured KER c.m. with the calculated KER distribution

Current Observational Constraints to Holographic Dark Energy Model with New Infrared cut-off via Markov Chain Monte Carlo Method

OpenAIRE

Wang, Yuting; Xu, Lixin

2010-01-01

In this paper, the holographic dark energy model with new infrared (IR) cut-off for both the flat case and the non-flat case are confronted with the combined constraints of current cosmological observations: type Ia Supernovae, Baryon Acoustic Oscillations, current Cosmic Microwave Background, and the observational hubble data. By utilizing the Markov Chain Monte Carlo (MCMC) method, we obtain the best fit values of the parameters with $1\\sigma, 2\\sigma$ errors in the flat model: $\\Omega_{b}h...

Monte Carlo strategies in scientific computing

CERN Document Server

Liu, Jun S

2008-01-01

This paperback edition is a reprint of the 2001 Springer edition This book provides a self-contained and up-to-date treatment of the Monte Carlo method and develops a common framework under which various Monte Carlo techniques can be "standardized" and compared Given the interdisciplinary nature of the topics and a moderate prerequisite for the reader, this book should be of interest to a broad audience of quantitative researchers such as computational biologists, computer scientists, econometricians, engineers, probabilists, and statisticians It can also be used as the textbook for a graduate-level course on Monte Carlo methods Many problems discussed in the alter chapters can be potential thesis topics for masters’ or PhD students in statistics or computer science departments Jun Liu is Professor of Statistics at Harvard University, with a courtesy Professor appointment at Harvard Biostatistics Department Professor Liu was the recipient of the 2002 COPSS Presidents' Award, the most prestigious one for sta...

Perturbative two- and three-loop coefficients from large β Monte Carlo

Science.gov (United States)

Lepage, G. P.; Mackenzie, P. B.; Shakespeare, N. H.; Trottier, H. D.

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large β on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z3 tunneling.

Perturbative two- and three-loop coefficients from large b Monte Carlo

International Nuclear Information System (INIS)

Lepage, G.P.; Mackenzie, P.B.; Shakespeare, N.H.; Trottier, H.D.

1999-01-01

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large β on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z 3 tunneling

Perturbative two- and three-loop coefficients from large β Monte Carlo

International Nuclear Information System (INIS)

Lepage, G.P.; Mackenzie, P.B.; Shakespeare, N.H.; Trottier, H.D.

2000-01-01

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large β on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z 3 tunneling

Monte Carlo calculations of channeling radiation

International Nuclear Information System (INIS)

Bloom, S.D.; Berman, B.L.; Hamilton, D.C.; Alguard, M.J.; Barrett, J.H.; Datz, S.; Pantell, R.H.; Swent, R.H.

1981-01-01

Results of classical Monte Carlo calculations are presented for the radiation produced by ultra-relativistic positrons incident in a direction parallel to the (110) plane of Si in the energy range 30 to 100 MeV. The results all show the characteristic CR(channeling radiation) peak in the energy range 20 keV to 100 keV. Plots of the centroid energies, widths, and total yields of the CR peaks as a function of energy show the power law dependences of γ 1 5 , γ 1 7 , and γ 2 5 respectively. Except for the centroid energies and power-law dependence is only approximate. Agreement with experimental data is good for the centroid energies and only rough for the widths. Adequate experimental data for verifying the yield dependence on γ does not yet exist

Map of decentralised energy potential based on renewable energy sources in Croatia

International Nuclear Information System (INIS)

Schneider, D. R.; Ban, M.; Duic, N.; Bogdan, Z.

2005-01-01

Although the Republic of Croatia is almost completely electrified there are still regions where electricity network is not in place or network capacity is insufficient. These regions usually include areas of special state care (underdeveloped, war-affected or depopulated areas), islands, and mountainous areas. However, they often have good renewable energy potential. Decentralised energy generation based on renewable energy sources (wind power, hydropower, solar energy, biomass) has potential to ensure energy supply to users in remote and often isolated rural areas (off-grid applications). Such applications will primarily be related to tourism business in mountainous, rural and island/coastal regions. Also, agriculture, wood-processing and food-processing industries will potentially be interested in application of decentralised energy generation systems, most likely those using biomass as fuel (for example cogeneration facilities, connected on-grid).(author)

Subtle Monte Carlo Updates in Dense Molecular Systems

DEFF Research Database (Denmark)

Bottaro, Sandro; Boomsma, Wouter; Johansson, Kristoffer E.

2012-01-01

Although Markov chain Monte Carlo (MC) simulation is a potentially powerful approach for exploring conformational space, it has been unable to compete with molecular dynamics (MD) in the analysis of high density structural states, such as the native state of globular proteins. Here, we introduce...... as correlations in a multivariate Gaussian distribution. We demonstrate that our method reproduces structural variation in proteins with greater efficiency than current state-of-the-art Monte Carlo methods and has real-time simulation performance on par with molecular dynamics simulations. The presented results...... suggest our method as a valuable tool in the study of molecules in atomic detail, offering a potential alternative to molecular dynamics for probing long time-scale conformational transitions....

Liquid argon as an electron/photon detector in the energy range of 50 MeV to 2 GeV: a Monte Carlo investigation

International Nuclear Information System (INIS)

Goodman, M.S.; Denis, G.; Hall, M.; Karpovsky, A.; Wilson, R.; Gabriel, T.A.; Bishop, B.L.

1980-12-01

Monte Carlo techniques which have been used to study the characteristics of a proposed electron/photon detector based on the total absorption of electromagnetic showers in liquid argon have been investigated. The energy range studied was 50 MeV to 2 GeV. Results are presented on the energy and angular resolution predicted for the device, along with the detailed predictions of the transverse and longitudinal shower distributions. Comparisons are made with other photon detectors, and possible applications are discussed

Kinetic energy classification and smoothing for compact B-spline basis sets in quantum Monte Carlo

Science.gov (United States)

Krogel, Jaron T.; Reboredo, Fernando A.

2018-01-01

Quantum Monte Carlo calculations of defect properties of transition metal oxides have become feasible in recent years due to increases in computing power. As the system size has grown, availability of on-node memory has become a limiting factor. Saving memory while minimizing computational cost is now a priority. The main growth in memory demand stems from the B-spline representation of the single particle orbitals, especially for heavier elements such as transition metals where semi-core states are present. Despite the associated memory costs, splines are computationally efficient. In this work, we explore alternatives to reduce the memory usage of splined orbitals without significantly affecting numerical fidelity or computational efficiency. We make use of the kinetic energy operator to both classify and smooth the occupied set of orbitals prior to splining. By using a partitioning scheme based on the per-orbital kinetic energy distributions, we show that memory savings of about 50% is possible for select transition metal oxide systems. For production supercells of practical interest, our scheme incurs a performance penalty of less than 5%.

Low-energy photons in high-energy photon fields--Monte Carlo generated spectra and a new descriptive parameter.

Science.gov (United States)

Chofor, Ndimofor; Harder, Dietrich; Willborn, Kay; Rühmann, Antje; Poppe, Björn

2011-09-01

The varying low-energy contribution to the photon spectra at points within and around radiotherapy photon fields is associated with variations in the responses of non-water equivalent dosimeters and in the water-to-material dose conversion factors for tissues such as the red bone marrow. In addition, the presence of low-energy photons in the photon spectrum enhances the RBE in general and in particular for the induction of second malignancies. The present study discusses the general rules valid for the low-energy spectral component of radiotherapeutic photon beams at points within and in the periphery of the treatment field, taking as an example the Siemens Primus linear accelerator at 6 MV and 15 MV. The photon spectra at these points and their typical variations due to the target system, attenuation, single and multiple Compton scattering, are described by the Monte Carlo method, using the code BEAMnrc/EGSnrc. A survey of the role of low energy photons in the spectra within and around radiotherapy fields is presented. In addition to the spectra, some data compression has proven useful to support the overview of the behaviour of the low-energy component. A characteristic indicator of the presence of low-energy photons is the dose fraction attributable to photons with energies not exceeding 200 keV, termed P(D)(200 keV). Its values are calculated for different depths and lateral positions within a water phantom. For a pencil beam of 6 or 15 MV primary photons in water, the radial distribution of P(D)(200 keV) is bellshaped, with a wide-ranging exponential tail of half value 6 to 7 cm. The P(D)(200 keV) value obtained on the central axis of a photon field shows an approximately proportional increase with field size. Out-of-field P(D)(200 keV) values are up to an order of magnitude higher than on the central axis for the same irradiation depth. The 2D pattern of P(D)(200 keV) for a radiotherapy field visualizes the regions, e.g. at the field margin, where changes of

Stochastic evaluation of second-order many-body perturbation energies.

Science.gov (United States)

Willow, Soohaeng Yoo; Kim, Kwang S; Hirata, So

2012-11-28

With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mE(h) of the correct values after 10(8) Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

A Monte Carlo Sampling Technique for Multi-phonon Processes

Energy Technology Data Exchange (ETDEWEB)

Hoegberg, Thure

1961-12-15

A sampling technique for selecting scattering angle and energy gain in Monte Carlo calculations of neutron thermalization is described. It is supposed that the scattering is separated into processes involving different numbers of phonons. The number of phonons involved is first determined. Scattering angle and energy gain are then chosen by using special properties of the multi-phonon term.

Positron stopping in elemental systems: Monte Carlo calculations and scaling properties

International Nuclear Information System (INIS)

Ghosh, V.J.; Aers, G.C.

1995-01-01

The scaling of positron-implantation (stopping) profiles has been reported by Ghosh et al., who used the BNL Monte Carlo scheme to generate stopping profiles in semi-infinite elemental metals. A simple scaling relationship reduced the stopping profiles of positrons implanted at different energies (ranging from 1--10 keV) onto a single universal curve for that particular metal. We have confirmed that the scaling relationship also applies to the quite different Jensen and Walker Monte Carlo scheme, for more materials, and over an expanded energy range of 1--25 keV. The mean depths of the stopping profiles calculated by the two Monte Carlo schemes are found to be different, mainly due to differences in the inelastic mean free paths and the energy-loss functions. However, after scaling, the profiles generated by the two schemes can be superimposed onto a single curve which can be appropriately parametrized. The scaled profiles are found to be only weakly material dependent. The mean depths, backscattered fractions, and scaled stopping profiles are fitted to simple parametric functions, and the values of these parameters are obtained for several elements

Monte Carlo analysis of highly compressed fissile assemblies. Pt. 1

International Nuclear Information System (INIS)

Raspet, R.; Baird, G.E.

1978-01-01

Laserinduced fission of highly compressed bare fissionable spheres is analyzed using Monte Carlo techniques. The critical mass and critical radius as a function of density are calculated and the fission energy yield is calculated and compared with the input laser energy necessary to achieve compression to criticality. (orig.) [de

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.

Monte Carlo simulations of the Galileo energetic particle detector

CERN Document Server

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 simulations of the Galileo energetic particle detector

International Nuclear Information System (INIS)

Jun, I.; Ratliff, J.M.; 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

Development of M3C code for Monte Carlo reactor physics criticality calculations

International Nuclear Information System (INIS)

Kumar, Anek; Kannan, Umasankari; Krishanani, P.D.

2015-06-01

The development of Monte Carlo code (M3C) for reactor design entails use of continuous energy nuclear data and Monte Carlo simulations for each of the neutron interaction processes. BARC has started a concentrated effort for developing a new general geometry continuous energy Monte Carlo code for reactor physics calculation indigenously. The code development required a comprehensive understanding of the basic continuous energy cross section sets. The important features of this code are treatment of heterogeneous lattices by general geometry, use of point cross sections along with unionized energy grid approach, thermal scattering model for low energy treatment, capability of handling the microscopic fuel particles dispersed randomly. The capability of handling the randomly dispersed microscopic fuel particles which is very useful for the modeling of High-Temperature Gas-Cooled reactor fuels which are composed of thousands of microscopic fuel particle (TRISO fuel particle), randomly dispersed in a graphite matrix. The Monte Carlo code for criticality calculation is a pioneering effort and has been used to study several types of lattices including cluster geometries. The code has been verified for its accuracy against more than 60 sample problems covering a wide range from simple (like spherical) to complex geometry (like PHWR lattice). Benchmark results show that the code performs quite well for the criticality calculation of the system. In this report, the current status of the code, features of the code, some of the benchmark results for the testing of the code and input preparation etc. are discussed. (author)

Worldwide potential of wind energy

Energy Technology Data Exchange (ETDEWEB)

Flavin, C

1982-01-01

A well-documented discussion is presented dealing with the worldwide potential of wind energy as a source of electrical and mechanical power. It is pointed out that 2% of the solar insolation is converted to wind kinetic energy; it is constantly renewed and nondepletable. Efficiency of windmills are discussed (20 to 40%) and payback periods of less than 5 years are cited. Effects of wind velocity and site location are described. Wind pumps are reviewed and the need for wind pumps, particularly in the developing countries is stressed. The generation of electricity by windmills using small turbines is reviewed and appears promising in areas with wind velocities greater than 12 mi/hr. The development of large windmills and groups of windmills (windfarms) for large scale electrical power is discussed, illustrated, and reviewed (offshore sites included). Environmental and safety problems are considered as well as the role of electrical utilities, government support and research activities. It is concluded that the potential contribution of wind energy is immense and that mechanical windmills may become one of the most important renewable technologies. Electrical generating potential is estimated at 20 to 30% of electrical needs. International programs are discussed briefly. 57 references. (MJJ)

Perturbative two- and three-loop coefficients from large {beta} Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Lepage, G.P.; Mackenzie, P.B.; Shakespeare, N.H.; Trottier, H.D

2000-03-01

Perturbative coefficients for Wilson loops and the static quark self-energy are extracted from Monte Carlo simulations at large {beta} on finite volumes, where all the lattice momenta are large. The Monte Carlo results are in excellent agreement with perturbation theory through second order. New results for third order coefficients are reported. Twisted boundary conditions are used to eliminate zero modes and to suppress Z{sub 3} tunneling.

Green's function Monte Carlo calculations of /sup 4/He

Energy Technology Data Exchange (ETDEWEB)

Carlson, J.A.

1988-01-01

Green's Function Monte Carlo methods have been developed to study the ground state properties of light nuclei. These methods are shown to reproduce results of Faddeev calculations for A = 3, and are then used to calculate ground state energies, one- and two-body distribution functions, and the D-state probability for the alpha particle. Results are compared to variational Monte Carlo calculations for several nuclear interaction models. 31 refs.

Shielding requirements for constant-potential diagnostic x-ray beams determined by a Monte Carlo calculation

International Nuclear Information System (INIS)

Simpkin, D.J.

1989-01-01

A Monte Carlo calculation has been performed to determine the transmission of broad constant-potential x-ray beams through Pb, concrete, gypsum wallboard, steel and plate glass. The EGS4 code system was used with a simple broad-beam geometric model to generate exposure transmission curves for published 70, 100, 120 and 140-kVcp x-ray spectra. These curves are compared to measured three-phase generated x-ray transmission data in the literature and found to be reasonable. For calculation ease the data are fit to an equation previously shown to describe such curves quite well. These calculated transmission data are then used to create three-phase shielding tables for Pb and concrete, as well as other materials not available in Report No. 49 of the NCRP

Shielding requirements for constant-potential diagnostic x-ray beams determined by a Monte Carlo calculation.

Science.gov (United States)

Simpkin, D J

1989-02-01

A Monte Carlo calculation has been performed to determine the transmission of broad constant-potential x-ray beams through Pb, concrete, gypsum wallboard, steel and plate glass. The EGS4 code system was used with a simple broad-beam geometric model to generate exposure transmission curves for published 70, 100, 120 and 140-kVcp x-ray spectra. These curves are compared to measured three-phase generated x-ray transmission data in the literature and found to be reasonable. For calculation ease the data are fit to an equation previously shown to describe such curves quite well. These calculated transmission data are then used to create three-phase shielding tables for Pb and concrete, as well as other materials not available in Report No. 49 of the NCRP.

Aspects of perturbative QCD in Monte Carlo shower models

International Nuclear Information System (INIS)

Gottschalk, T.D.

1986-01-01

The perturbative QCD content of Monte Carlo models for high energy hadron-hadron scattering is examined. Particular attention is given to the recently developed backwards evolution formalism for initial state parton showers, and the merging of parton shower evolution with hard scattering cross sections. Shower estimates of K-factors are discussed, and a simple scheme is presented for incorporating 2 → QCD cross sections into shower model calculations without double counting. Additional issues in the development of hard scattering Monte Carlo models are summarized. 69 references, 20 figures

World potential of renewable energies

Energy Technology Data Exchange (ETDEWEB)

Dessus, B; Devin, B; Pharabod, F

1991-07-01

A comprehensive analysis, region by region, of the actually accessible renewable energies at a given horizon, is presented. The same methodology as the one employed to derive ``proven fossil energy reserves`` from ``energy resources`` is adopted, in which resources are defined by quantitative information on physical potential, while reserves take into account technical and economical accessibility. As renewable resources are fluctuating with time and are diluted in space and not readily transportable or storeable, it is necessary to consider the presence of populations or activities near enough to be able to profit by these diluted and volatile energies.

Monte Carlo study of internal energy and specific heat of a nano-graphene bilayer in a longitudinal magnetic field

Energy Technology Data Exchange (ETDEWEB)

Luo, Xiao-hong; Wang, Wei, E-mail: ww9803@126.com; Chen, Dong-dong; Xu, Si-yuan

2016-06-15

The thermodynamic properties of a nano-graphene bilayer, consisting of the upper layer A of spin-3/2 with antiferromagnetic intralayer exchange coupling and the bottom layer B of spin-5/2 with ferromagnetic intralayer exchange coupling, have been studied by the use of Monte Carlo simulation. We find a number of characteristic phenomena. The effects of the exchange coupling, the single-ion anisotropy and the longitudinal magnetic field on the internal energy, the specific heat and the blocking temperature of the mixed-spin bilayer system have been investigated in detail. The internal energy and the specific heat profiles are clarified. In particular, we have found that the specific heat curve may show two peaks phenomenon for appropriate values of the system parameters.

Monte Carlo methods

Directory of Open Access Journals (Sweden)

Bardenet Rémi

2013-07-01

Full Text Available Bayesian inference often requires integrating some function with respect to a posterior distribution. Monte Carlo methods are sampling algorithms that allow to compute these integrals numerically when they are not analytically tractable. We review here the basic principles and the most common Monte Carlo algorithms, among which rejection sampling, importance sampling and Monte Carlo Markov chain (MCMC methods. We give intuition on the theoretical justification of the algorithms as well as practical advice, trying to relate both. We discuss the application of Monte Carlo in experimental physics, and point to landmarks in the literature for the curious reader.

Energy audit: potential of energy - conservation in Jordanian ceramic industry

International Nuclear Information System (INIS)

Adas, H.; Taher, A.

2005-01-01

This paper represents the findings of the preliminary energy-audits performed by the Rational Use of Energy Division at the National Energy Research Center (NERC), as well as the findings of a detailed energy-audit carried out in the largest Ceramic plant in Jordan (Jordan Ceramic industries).These studies were preceded by a survey of the ceramic factories in Jordan. The survey was carried out in 1997. The performed preliminary energy-audits showed that an average saving-potential in most of theses plants is about 25 % of the total energy-bills in these plants, which constitutes a considerable portion of the total production-cost. This fact was verified through the detailed energy-audit performed by NERC team for the largest Ceramic Plant in Jordan in June 2003, which showed an energy-saving potential of about 30 %. This saving can be achieved by some no-cost or low-cost measures, in addition to some measures that need reasonable investments with an average pay-back period of about two years. This detailed energy-audit covered electrical systems, refrigeration systems, compressed-air systems, and kilns. The results of the detailed energy-audit can be disseminated to other Ceramic plant, because of the similarity in the production process between these plants and the plant where the detailed energy-audit was carried out. (author)

Monte Carlo simulation of the ARGO

International Nuclear Information System (INIS)

Depaola, G.O.

1997-01-01

We use GEANT Monte Carlo code to design an outline of the geometry and simulate the performance of the Argentine gamma-ray observer (ARGO), a telescope based on silicon strip detector technlogy. The γ-ray direction is determined by geometrical means and the angular resolution is calculated for small variations of the basic design. The results show that the angular resolutions vary from a few degrees at low energies (∝50 MeV) to 0.2 , approximately, at high energies (>500 MeV). We also made simulations using as incoming γ-ray the energy spectrum of PKS0208-512 and PKS0528+134 quasars. Moreover, a method based on multiple scattering theory is also used to determine the incoming energy. We show that this method is applicable to energy spectrum. (orig.)

Effect of hydration repulsion on nanoparticle agglomeration evaluated via a constant number Monte–Carlo simulation

International Nuclear Information System (INIS)

Liu, Haoyang Haven; Lanphere, Jacob; Walker, Sharon; Cohen, Yoram

2015-01-01

The effect of hydration repulsion on the agglomeration of nanoparticles in aqueous suspensions was investigated via the description of agglomeration by the Smoluchowski coagulation equation using constant number Monte–Carlo simulation making use of the classical DLVO theory extended to include the hydration repulsion energy. Evaluation of experimental DLS measurements for TiO 2 , CeO 2 , SiO 2 , and α-Fe 2 O 3 (hematite) at high IS (up to 900 mM) or low |ζ-potential| (≥1.35 mV) demonstrated that hydration repulsion energy can be above electrostatic repulsion energy such that the increased overall repulsion energy can significantly lower the agglomerate diameter relative to the classical DLVO prediction. While the classical DLVO theory, which is reasonably applicable for agglomeration of NPs of high |ζ-potential| (∼>35 mV) in suspensions of low IS (∼<1 mM), it can overpredict agglomerate sizes by up to a factor of 5 at high IS or low |ζ-potential|. Given the potential important role of hydration repulsion over a range of relevant conditions, there is merit in quantifying this repulsion energy over a wide range of conditions as part of overall characterization of NP suspensions. Such information would be of relevance to improved understanding of NP agglomeration in aqueous suspensions and its correlation with NP physicochemical and solution properties. (paper)

Monte Carlo numerical study of lattice field theories

International Nuclear Information System (INIS)

Gan Cheekwan; Kim Seyong; Ohta, Shigemi

1997-01-01

The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)

COMPARISONS OF THE FINITE-ELEMENT-WITH-DISCONTIGUOUS-SUPPORT METHOD TO CONTINUOUS-ENERGY MONTE CARLO FOR PIN-CELL PROBLEMS

Energy Technology Data Exchange (ETDEWEB)

A. T. Till; M. Hanuš; J. Lou; J. E. Morel; M. L. Adams

2016-05-01

The standard multigroup (MG) method for energy discretization of the transport equation can be sensitive to approximations in the weighting spectrum chosen for cross-section averaging. As a result, MG often inaccurately treats important phenomena such as self-shielding variations across a material. From a finite-element viewpoint, MG uses a single fixed basis function (the pre-selected spectrum) within each group, with no mechanism to adapt to local solution behavior. In this work, we introduce the Finite-Element-with-Discontiguous-Support (FEDS) method, whose only approximation with respect to energy is that the angular flux is a linear combination of unknowns multiplied by basis functions. A basis function is non-zero only in the discontiguous set of energy intervals associated with its energy element. Discontiguous energy elements are generalizations of bands and are determined by minimizing a norm of the difference between snapshot spectra and their averages over the energy elements. We begin by presenting the theory of the FEDS method. We then compare to continuous-energy Monte Carlo for one-dimensional slab and two-dimensional pin-cell problem. We find FEDS to be accurate and efficient at producing quantities of interest such as reaction rates and eigenvalues. Results show that FEDS converges at a rate that is approximately first-order in the number of energy elements and that FEDS is less sensitive to weighting spectrum than standard MG.

Comparing energy levels in isotropic and anisotropic potentials

Energy Technology Data Exchange (ETDEWEB)

Pikovski, Alexander, E-mail: alexander.pikovski@colorado.edu

2015-11-06

Qualitative information about the quantized energy levels of a system can be of great value. We study the relationship between the bound-state energies of an anisotropic potential and those of its spherical average. It is shown that the two ground-state energies satisfy an inequality, and there is a similar inequality for the first excited states. - Highlights: • Quantized energy levels in an arbitrary non-central potential are studied. • We derive inequalities between energies in a potential and its spherical average. • The results hold in three and two dimensions for any ground state and, with additional symmetry requirements for the first excited state.

Comparing energy levels in isotropic and anisotropic potentials

International Nuclear Information System (INIS)

Pikovski, Alexander

2015-01-01

Qualitative information about the quantized energy levels of a system can be of great value. We study the relationship between the bound-state energies of an anisotropic potential and those of its spherical average. It is shown that the two ground-state energies satisfy an inequality, and there is a similar inequality for the first excited states. - Highlights: • Quantized energy levels in an arbitrary non-central potential are studied. • We derive inequalities between energies in a potential and its spherical average. • The results hold in three and two dimensions for any ground state and, with additional symmetry requirements for the first excited state.

Zeta-function approach to Casimir energy with singular potentials

International Nuclear Information System (INIS)

Khusnutdinov, Nail R.

2006-01-01

In the framework of zeta-function approach the Casimir energy for three simple model system: single delta potential, step function potential and three delta potentials are analyzed. It is shown that the energy contains contributions which are peculiar to the potentials. It is suggested to renormalize the energy using the condition that the energy of infinitely separated potentials is zero which corresponds to subtraction all terms of asymptotic expansion of zeta-function. The energy obtained in this way obeys all physically reasonable conditions. It is finite in the Dirichlet limit, and it may be attractive or repulsive depending on the strength of potential. The effective action is calculated, and it is shown that the surface contribution appears. The renormalization of the effective action is discussed

The potential of renewable energies

International Nuclear Information System (INIS)

Glubrecht, H.

1998-01-01

If one compares the progress in research and development of renewable energy applications with the finding which has been granted to these activities during the 23 years after the first oil shock, one cannot but be very impressed. It is indicated in this paper hoe comprehensive the potential of renewable energy is. One should take into account that the methods described form a broad interdisciplinary field in contrast to fossil and nuclear technologies. From technical point of view the present and future energy demand can be met by the broad spectrum of renewable energies in combination with energy conservation. Many of these techniques are already economically competitive: solar architecture, wind energy, hydropower, low temperature heat production, photovoltaic for remote areas, various types of biomass application, geothermal energy although not exactly renewable. The future of renewable energies will depend on opening markets for these techniques

Monte Carlo simulation of MOSFET dosimeter for electron backscatter using the GEANT4 code.

Science.gov (United States)

Chow, James C L; Leung, Michael K K

2008-06-01

The aim of this study is to investigate the influence of the body of the metal-oxide-semiconductor field effect transistor (MOSFET) dosimeter in measuring the electron backscatter from lead. The electron backscatter factor (EBF), which is defined as the ratio of dose at the tissue-lead interface to the dose at the same point without the presence of backscatter, was calculated by the Monte Carlo simulation using the GEANT4 code. Electron beams with energies of 4, 6, 9, and 12 MeV were used in the simulation. It was found that in the presence of the MOSFET body, the EBFs were underestimated by about 2%-0.9% for electron beam energies of 4-12 MeV, respectively. The trend of the decrease of EBF with an increase of electron energy can be explained by the small MOSFET dosimeter, mainly made of epoxy and silicon, not only attenuated the electron fluence of the electron beam from upstream, but also the electron backscatter generated by the lead underneath the dosimeter. However, this variation of the EBF underestimation is within the same order of the statistical uncertainties as the Monte Carlo simulations, which ranged from 1.3% to 0.8% for the electron energies of 4-12 MeV, due to the small dosimetric volume. Such small EBF deviation is therefore insignificant when the uncertainty of the Monte Carlo simulation is taken into account. Corresponding measurements were carried out and uncertainties compared to Monte Carlo results were within +/- 2%. Spectra of energy deposited by the backscattered electrons in dosimetric volumes with and without the lead and MOSFET were determined by Monte Carlo simulations. It was found that in both cases, when the MOSFET body is either present or absent in the simulation, deviations of electron energy spectra with and without the lead decrease with an increase of the electron beam energy. Moreover, the softer spectrum of the backscattered electron when lead is present can result in a reduction of the MOSFET response due to stronger

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

Energy Technology Data Exchange (ETDEWEB)

Armas-Pérez, Julio C.; Londono-Hurtado, Alejandro [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Guzmán, Orlando [Departamento de Física, Universidad Autónoma Metropolitana, Iztapalapa, DF 09340, México (Mexico); Hernández-Ortiz, Juan P. [Departamento de Materiales y Minerales, Universidad Nacional de Colombia, Sede Medellín, Medellín (Colombia); Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Pablo, Juan J. de, E-mail: depablo@uchicago.edu [Institute for Molecular Engineering, University of Chicago, Chicago, Illinois 60637 (United States); Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2015-07-28

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields.

Energy Technology Data Exchange (ETDEWEB)

Armas-Perez, Julio C.; Londono-Hurtado, Alejandro; Guzman, Orlando; Hernandez-Ortiz, Juan P.; de Pablo, Juan J.

2015-07-27

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystal droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.

MULTIMODE quantum calculations of vibrational energies and IR spectrum of the NO{sup +}(H{sub 2}O) cluster using accurate potential energy and dipole moment surfaces

Energy Technology Data Exchange (ETDEWEB)

Homayoon, Zahra, E-mail: zhomayo@emory.edu [Cherry L. Emerson Center for Scientific Computation and Department of Chemistry, Emory University, Atlanta, Georgia 30322 (United States)

2014-09-28

A new, full (nine)-dimensional potential energy surface and dipole moment surface to describe the NO{sup +}(H{sub 2}O) cluster is reported. The PES is based on fitting of roughly 32 000 CCSD(T)-F12/aug-cc-pVTZ electronic energies. The surface is a linear least-squares fit using a permutationally invariant basis with Morse-type variables. The PES is used in a Diffusion Monte Carlo study of the zero-point energy and wavefunction of the NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) complexes. Using the calculated ZPE the dissociation energies of the clusters are reported. Vibrational configuration interaction calculations of NO{sup +}(H{sub 2}O) and NO{sup +}(D{sub 2}O) using the MULTIMODE program are performed. The fundamental, a number of overtone, and combination states of the clusters are reported. The IR spectrum of the NO{sup +}(H{sub 2}O) cluster is calculated using 4, 5, 7, and 8 modes VSCF/CI calculations. The anharmonic, coupled vibrational calculations, and IR spectrum show very good agreement with experiment. Mode coupling of the water “antisymmetric” stretching mode with the low-frequency intermolecular modes results in intensity borrowing.

Monte Carlo simulation for neutron yield produced by bombarding thick targets with high energy heavy ions

Energy Technology Data Exchange (ETDEWEB)

Oranj, Leila Mokhtari; Oh, Joo Hee; Yoon, Moo Hyun; Lee, Hee Seock [POSTECH, Pohang (Korea, Republic of)

2013-04-15

One of radiation shielding issues at heavy-ion accelerator facilities is to estimate neutron production by primary heavy ions. A few Monte Carlo transport codes such as FLUKA and PHITS can work with primary heavy ions. Recently IBS/RISP((Rare Isotope Science Project) started to design a high-energy, high-power rare isotope accelerator complex for nuclear physics, medical and material science and applications. There is a lack of experimental and simulated data about the interaction of major beam, {sup 238}U with materials. For the shielding design of the end of first accelerating section section, we calculate a differential neutron yield using the FLUKA code for the interaction of 18.5 MeV/u uranium ion beam with thin carbon stripper of 1.3 μm). The benchmarking studies were also done to prove the yield calculation for 400 MeV/n {sup 131}Xe and other heavy ions. In this study, the benchmarking for Xe-C, Xe-Cu, Xe-Al, Xe-Pb and U-C, other interactions were performed using the FLUKA code. All of results show that the FLUKA can evaluate the heavy ion induced reaction with good uncertainty. For the evaluation of neutron source term, the calculated neutron yields are shown in Fig. 2. The energy of Uranium ion beam is only 18.5 MeV/u, but the energy of produced secondary neutrons was extended over 100 MeV. So the neutron shielding and the damage by those neutrons is expected to be serious. Because of thin stripper, the neutron intensity at forward direction was high. But the the intensity of produced secondary photons was relatively low and mostly the angular property was isotropic. For the detail shielding design of stripper section of RISP rare istope accelerator, the benchmarking study and preliminary evaluation of neutron source term from uranium beam have been carried out using the FLUKA code. This study is also compared with the evaluation results using the PHITS code performed coincidently. Both studies shows that two monte carlo codes can give a good results for

Natural gas decompression energy recovery: Energy savings potential in Italy

International Nuclear Information System (INIS)

Piatti, A.; Piemonte, C.; Rampini, E.; Vatrano, F.; Techint SpA, Milan; ENEA, Rome

1992-01-01

This paper surveyed the natural gas distribution systems employed in the Italian civil, industrial and thermoelectric sectors to identify those installations which can make use of gas decompression energy recovery systems (consisting of turbo-expanders or alternative expanders) to economically generate electric power. Estimates were then made of the total amount of potential energy savings. The study considered as eligible for energy savings interventions only those plants with a greater than 5,000 standard cubic meter per hour plant capacity. It was evaluated that, with suitable decompression equipment installed at 50 key installations (33 civil, 15 industrial), about 200 GWh of power could be produced annually, representing potential savings of about 22,000 petroleum equivalent tonnes of energy. A comparative analysis was done on three investment alternatives involving inputs of varying amounts of Government financial assistance

On-the-fly doppler broadening for Monte Carlo codes

International Nuclear Information System (INIS)

Yesilyurt, G.; Martin, W. R.; Brown, F. B.

2009-01-01

A methodology to allow on-the-fly Doppler broadening of neutron cross sections for use in Monte Carlo codes has been developed. The Monte Carlo code only needs to store 0 K cross sections for each isotope and the method will broaden the 0 K cross sections for any isotope in the library to any temperature in the range 77 K-3200 K. The methodology is based on a combination of Taylor series expansions and asymptotic series expansions. The type of series representation was determined by investigating the temperature dependence of U3o8 resonance cross sections in three regions: near the resonance peaks, mid-resonance, and the resonance wings. The coefficients for these series expansions were determined by a regression over the energy and temperature range of interest. Since the resonance parameters are a function of the neutron energy and target nuclide, the ψ and χ functions in the Adler-Adler multi-level resonance model can be represented by series expansions in temperature only, allowing the least number of terms to approximate the temperature dependent cross sections within a given accuracy. The comparison of the broadened cross sections using this methodology with the NJOY cross sections was excellent over the entire temperature range (77 K-3200 K) and energy range. A Monte Carlo code was implemented to apply the combined regression model and used to estimate the additional computing cost which was found to be less than <1%. (authors)

The Monte Carlo applied for calculation dose

International Nuclear Information System (INIS)

Peixoto, J.E.

1988-01-01

The Monte Carlo method is showed for the calculation of absorbed dose. The trajectory of the photon is traced simulating sucessive interaction between the photon and the substance that consist the human body simulator. The energy deposition in each interaction of the simulator organ or tissue per photon is also calculated. (C.G.C.) [pt

Modelling piezoelectric energy harvesting potential in an educational building

International Nuclear Information System (INIS)

Li, Xiaofeng; Strezov, Vladimir

2014-01-01

Highlights: • Energy harvesting potential of commercialized piezoelectric tiles is analyzed. • The parameters which will affect the energy harvesting efficiency are determined. • The potential could cover 0.5% of the total energy usage of the library building. • A simplified evaluation indicator is proposed to test the considered paving area. - Abstract: In this paper, potential application of a commercial piezoelectric energy harvester in a central hub building at Macquarie University in Sydney, Australia is examined and discussed. Optimization of the piezoelectric tile deployment is presented according to the frequency of pedestrian mobility and a model is developed where 3.1% of the total floor area with the highest pedestrian mobility is paved with piezoelectric tiles. The modelling results indicate that the total annual energy harvesting potential for the proposed optimized tile pavement model is estimated at 1.1 MW h/year. This potential energy generation may be further increased to 9.9 MW h/year with a possible improvement in piezoelectric energy conversion efficiency integrated into the system. This energy harvesting potential would be sufficient to meet close to 0.5% of the annual energy needs of the building. The study confirms that locating high traffic areas is critical for optimization of the energy harvesting efficiency, as well as the orientation of the tile pavement significantly affects the total amount of the harvested energy. A Density Flow evaluation is recommended in this study to qualitatively evaluate the piezoelectric power harvesting potential of the considered area based on the number of pedestrian crossings per unit time

Extending Strong Scaling of Quantum Monte Carlo to the Exascale

Science.gov (United States)

Shulenburger, Luke; Baczewski, Andrew; Luo, Ye; Romero, Nichols; Kent, Paul

Quantum Monte Carlo is one of the most accurate and most computationally expensive methods for solving the electronic structure problem. In spite of its significant computational expense, its massively parallel nature is ideally suited to petascale computers which have enabled a wide range of applications to relatively large molecular and extended systems. Exascale capabilities have the potential to enable the application of QMC to significantly larger systems, capturing much of the complexity of real materials such as defects and impurities. However, both memory and computational demands will require significant changes to current algorithms to realize this possibility. This talk will detail both the causes of the problem and potential solutions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corp, a wholly owned subsidiary of Lockheed Martin Corp, for the US Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

Introduction to the Monte Carlo methods

International Nuclear Information System (INIS)

Uzhinskij, V.V.

1993-01-01

Codes illustrating the use of Monte Carlo methods in high energy physics such as the inverse transformation method, the ejection method, the particle propagation through the nucleus, the particle interaction with the nucleus, etc. are presented. A set of useful algorithms of random number generators is given (the binomial distribution, the Poisson distribution, β-distribution, γ-distribution and normal distribution). 5 figs., 1 tab

Monte Carlo Simulation in Statistical Physics An Introduction

CERN Document Server

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 ...

Applications of FLUKA Monte Carlo code for nuclear and accelerator physics

CERN Document Server

Battistoni, Giuseppe; Brugger, Markus; Campanella, Mauro; Carboni, Massimo; Empl, Anton; Fasso, Alberto; Gadioli, Ettore; Cerutti, Francesco; Ferrari, Alfredo; Ferrari, Anna; Lantz, Matthias; Mairani, Andrea; Margiotta, M; Morone, Christina; Muraro, Silvia; Parodi, Katerina; Patera, Vincenzo; Pelliccioni, Maurizio; Pinsky, Lawrence; Ranft, Johannes; Roesler, Stefan; Rollet, Sofia; Sala, Paola R; Santana, Mario; Sarchiapone, Lucia; Sioli, Maximiliano; Smirnov, George; Sommerer, Florian; Theis, Christian; Trovati, Stefania; Villari, R; Vincke, Heinz; Vincke, Helmut; Vlachoudis, Vasilis; Vollaire, Joachim; Zapp, Neil

2011-01-01

FLUKA is a general purpose Monte Carlo code capable of handling all radiation components from thermal energies (for neutrons) or 1keV (for all other particles) to cosmic ray energies and can be applied in many different fields. Presently the code is maintained on Linux. The validity of the physical models implemented in FLUKA has been benchmarked against a variety of experimental data over a wide energy range, from accelerator data to cosmic ray showers in the Earth atmosphere. FLUKA is widely used for studies related both to basic research and to applications in particle accelerators, radiation protection and dosimetry, including the specific issue of radiation damage in space missions, radiobiology (including radiotherapy) and cosmic ray calculations. After a short description of the main features that make FLUKA valuable for these topics, the present paper summarizes some of the recent applications of the FLUKA Monte Carlo code in the nuclear as well high energy physics. In particular it addresses such top...

Advanced Mesh-Enabled Monte carlo capability for Multi-Physics Reactor Analysis

Energy Technology Data Exchange (ETDEWEB)

Wilson, Paul; Evans, Thomas; Tautges, Tim

2012-12-24

This project will accumulate high-precision fluxes throughout reactor geometry on a non- orthogonal grid of cells to support multi-physics coupling, in order to more accurately calculate parameters such as reactivity coefficients and to generate multi-group cross sections. This work will be based upon recent developments to incorporate advanced geometry and mesh capability in a modular Monte Carlo toolkit with computational science technology that is in use in related reactor simulation software development. Coupling this capability with production-scale Monte Carlo radiation transport codes can provide advanced and extensible test-beds for these developments. Continuous energy Monte Carlo methods are generally considered to be the most accurate computational tool for simulating radiation transport in complex geometries, particularly neutron transport in reactors. Nevertheless, there are several limitations for their use in reactor analysis. Most significantly, there is a trade-off between the fidelity of results in phase space, statistical accuracy, and the amount of computer time required for simulation. Consequently, to achieve an acceptable level of statistical convergence in high-fidelity results required for modern coupled multi-physics analysis, the required computer time makes Monte Carlo methods prohibitive for design iterations and detailed whole-core analysis. More subtly, the statistical uncertainty is typically not uniform throughout the domain, and the simulation quality is limited by the regions with the largest statistical uncertainty. In addition, the formulation of neutron scattering laws in continuous energy Monte Carlo methods makes it difficult to calculate adjoint neutron fluxes required to properly determine important reactivity parameters. Finally, most Monte Carlo codes available for reactor analysis have relied on orthogonal hexahedral grids for tallies that do not conform to the geometric boundaries and are thus generally not well

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

International Nuclear Information System (INIS)

Overy, Catherine; Blunt, N. S.; Shepherd, James J.; Booth, George H.; Cleland, Deidre; Alavi, Ali

2014-01-01

Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems

Bandwidth Study on Energy Use and Potential Energy Savings Opportunities in U.S. Petroleum Refining

Energy Technology Data Exchange (ETDEWEB)

Sabine Brueske, Caroline Kramer, Aaron Fisher

2015-06-01

Energy bandwidth studies of U.S. manufacturing sectors can serve as foundational references in framing the range (or bandwidth) of potential energy savings opportunities. This bandwidth study examines energy consumption and potential energy savings opportunities in U.S. petroleum refining. The study relies on multiple sources to estimate the energy used in nine individual process areas, representing 68% of sector-wide energy consumption. Energy savings opportunities for individual processes are based on technologies currently in use or under development; these potential savings are then extrapolated to estimate sector-wide energy savings opportunity.

Proceedings of the conference on frontiers of Quantum Monte Carlo

International Nuclear Information System (INIS)

Gubernatis, J.E.

1986-01-01

This journal of conference proceedings includes papers on topics such as: computers and science; Quantum Monte Carlo; condensed matter physics (with papers including the statistical error of Green's Function Monte Carlo, a study of Trotter-like approximations, simulations of the Hubbard model, and stochastic simulation of fermions); chemistry (including papers on quantum simulations of aqueous systems, fourier path integral methods, and a study of electron solvation in polar solvents using path integral calculations); atomic molecular and nuclear physics; high-energy physics, and advanced computer designs

NOTE: Monte Carlo evaluation of kerma in an HDR brachytherapy bunker

Science.gov (United States)

Pérez-Calatayud, J.; Granero, D.; Ballester, F.; Casal, E.; Crispin, V.; Puchades, V.; León, A.; Verdú, G.

2004-12-01

In recent years, the use of high dose rate (HDR) after-loader machines has greatly increased due to the shift from traditional Cs-137/Ir-192 low dose rate (LDR) to HDR brachytherapy. The method used to calculate the required concrete and, where appropriate, lead shielding in the door is based on analytical methods provided by documents published by the ICRP, the IAEA and the NCRP. The purpose of this study is to perform a more realistic kerma evaluation at the entrance maze door of an HDR bunker using the Monte Carlo code GEANT4. The Monte Carlo results were validated experimentally. The spectrum at the maze entrance door, obtained with Monte Carlo, has an average energy of about 110 keV, maintaining a similar value along the length of the maze. The comparison of results from the aforementioned values with the Monte Carlo ones shows that results obtained using the albedo coefficient from the ICRP document more closely match those given by the Monte Carlo method, although the maximum value given by MC calculations is 30% greater.

Spatial distribution of reflected gamma rays by Monte Carlo simulation

International Nuclear Information System (INIS)

Jehouani, A.; Merzouki, A.; Boutadghart, F.; Ghassoun, J.

2007-01-01

In nuclear facilities, the reflection of gamma rays of the walls and metals constitutes an unknown origin of radiation. These reflected gamma rays must be estimated and determined. This study concerns reflected gamma rays on metal slabs. We evaluated the spatial distribution of the reflected gamma rays spectra by using the Monte Carlo method. An appropriate estimator for the double differential albedo is used to determine the energy spectra and the angular distribution of reflected gamma rays by slabs of iron and aluminium. We took into the account the principal interactions of gamma rays with matter: photoelectric, coherent scattering (Rayleigh), incoherent scattering (Compton) and pair creation. The Klein-Nishina differential cross section was used to select direction and energy of scattered photons after each Compton scattering. The obtained spectra show peaks at 0.511 * MeV for higher source energy. The Results are in good agreement with those obtained by the TRIPOLI code [J.C. Nimal et al., TRIPOLI02: Programme de Monte Carlo Polycinsetique a Trois dimensions, CEA Rapport, Commissariat a l'Energie Atomique.

Monte Carlo Calculation of Sensitivities to Secondary Angular Distributions. Theory and Validation

International Nuclear Information System (INIS)

Perell, R. L.

2002-01-01

The basic methods for solution of the transport equation that are in practical use today are the discrete ordinates (SN) method, and the Monte Carlo (Monte Carlo) method. While the SN method is typically less computation time consuming, the Monte Carlo method is often preferred for detailed and general description of three-dimensional geometries, and for calculations using cross sections that are point-wise energy dependent. For analysis of experimental and calculated results, sensitivities are needed. Sensitivities to material parameters in general, and to the angular distribution of the secondary (scattered) neutrons in particular, can be calculated by well known SN methods, using the fluxes obtained from solution of the direct and the adjoint transport equations. Algorithms to calculate sensitivities to cross-sections with Monte Carlo methods have been known for quite a time. However, only just recently we have developed a general Monte Carlo algorithm for the calculation of sensitivities to the angular distribution of the secondary neutrons

Monte Carlo simulation: tool for the calibration in analytical determination of radionuclides; Simulacion Monte Carlo: herramienta para la calibracion en determinaciones analiticas de radionucleidos

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.

Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator

Science.gov (United States)

Suh, Donghyuk; Radak, Brian K.; Chipot, Christophe; Roux, Benoît

2018-01-01

Molecular dynamics (MD) trajectories based on classical equations of motion can be used to sample the configurational space of complex molecular systems. However, brute-force MD often converges slowly due to the ruggedness of the underlying potential energy surface. Several schemes have been proposed to address this problem by effectively smoothing the potential energy surface. However, in order to recover the proper Boltzmann equilibrium probability distribution, these approaches must then rely on statistical reweighting techniques or generate the simulations within a Hamiltonian tempering replica-exchange scheme. The present work puts forth a novel hybrid sampling propagator combining Metropolis-Hastings Monte Carlo (MC) with proposed moves generated by non-equilibrium MD (neMD). This hybrid neMD-MC propagator comprises three elementary elements: (i) an atomic system is dynamically propagated for some period of time using standard equilibrium MD on the correct potential energy surface; (ii) the system is then propagated for a brief period of time during what is referred to as a "boosting phase," via a time-dependent Hamiltonian that is evolved toward the perturbed potential energy surface and then back to the correct potential energy surface; (iii) the resulting configuration at the end of the neMD trajectory is then accepted or rejected according to a Metropolis criterion before returning to step 1. A symmetric two-end momentum reversal prescription is used at the end of the neMD trajectories to guarantee that the hybrid neMD-MC sampling propagator obeys microscopic detailed balance and rigorously yields the equilibrium Boltzmann distribution. The hybrid neMD-MC sampling propagator is designed and implemented to enhance the sampling by relying on the accelerated MD and solute tempering schemes. It is also combined with the adaptive biased force sampling algorithm to examine. Illustrative tests with specific biomolecular systems indicate that the method can yield

Energy saving potential of energy services - experimentation on the life cycle of energy conversion equipment

International Nuclear Information System (INIS)

Dupont, M.

2006-12-01

Energy efficiency services are growing in Europe but their role is still limited. In order to evaluate the potential, we focused first of all on policy, economical and environmental mechanisms that support their development. European natural gas and electricity markets, that are now almost wholly de-regulated, are analysed and compared to their historical structure. By introducing uncertainty on energy prices, this new deal translates better the real energy costs. Energy performance contracts (EPC) limit the impact of these uncertainties on the customer energy bills by guaranteeing a financial result. As a result of the modelling of these contracts, namely operation and maintenance ones, we prove that they transfer technical and financial risks from building owners to energy service companies (ESCO) making energy saving measures easier and less expensive at the same time. These contracts are relatively widespread for heating or compressed-air processes but remain marginal for air-conditioning systems. So new methods were needed to guarantee on the long terms the efficiency of air-conditioning systems demand (1) to master the process and its performances and (2) to be able to determine precisely the energy saving potential and its realisation costs. A detailed energy audit is thus necessary for which we propose a guidance. Conclusions of audits carried out prove that energy saving potential is mainly located in equipment management and control. These optimizations are not always carried out because of a lack of contractual incentive and due to the weaknesses of audit methods. Through the involvement of an independent expert, the mandatory and regular inspection of air-conditioning systems may allow to verify and guide such practices. A three-step analysis procedure has been developed in order to maximize the inspection potential and to get higher benefits from service contracts. (author)

Energy efficiency potential study for New Brunswick

International Nuclear Information System (INIS)

1992-05-01

The economic and environmental impacts associated with economically attractive energy savings identified in each of four sectors in New Brunswick are analyzed. The results are derived through a comparison of two potential future scenarios. The frozen efficiency scenario projects what future energy expenditures would be if no new energy efficiency initiatives are introduced. The economic potential scenario projects what those expenditures would be if all economically attractive energy efficiency improvements were gradually implemented over the next 20 years. Energy related emissions are estimated under scenarios with and without fuel switching. The results show, for example, that New Brunswick's energy related CO 2 emissions would be reduced by ca 5 million tonnes in the year 2000 under the economic potential scenario. If fuel switching is adopted, an additional 1 million tonnes of CO 2 emissions could be saved in the year 2000 and 1.6 million tonnes in 2010. The economic impact analysis is restricted to efficiency options only and does not consider fuel switching. Results show the effect of the economic potential scenario on employment, government revenues, and intra-industry distribution of employment gains and losses. The employment impact is estimated as the equivalent of the creation of 2,424 jobs annually over 1991-2010. Government revenues would increase by ca $24 million annually. The industries benefitting most from energy efficiency improvements would be those related to construction, retail trade, finance, real estate, and food/beverages. Industries adversely affected would be the electric power, oil, and coal sectors. 2 figs., 37 tabs

A Monte-Carlo method which is not based on Markov chain algorithm, used to study electrostatic screening of ion potential

Science.gov (United States)

Šantić, Branko; Gracin, Davor

2017-12-01

A new simple Monte Carlo method is introduced for the study of electrostatic screening by surrounding ions. The proposed method is not based on the generally used Markov chain method for sample generation. Each sample is pristine and there is no correlation with other samples. As the main novelty, the pairs of ions are gradually added to a sample provided that the energy of each ion is within the boundaries determined by the temperature and the size of ions. The proposed method provides reliable results, as demonstrated by the screening of ion in plasma and in water.

Scouting the feasibility of Monte Carlo reactor dynamics simulations

International Nuclear Information System (INIS)

Legrady, David; Hoogenboom, J. Eduard

2008-01-01

In this paper we present an overview of the methodological questions related to Monte Carlo simulation of time dependent power transients in nuclear reactors. Investigations using a small fictional 3D reactor with isotropic scattering and a single energy group we have performed direct Monte Carlo transient calculations with simulation of delayed neutrons and with and without thermal feedback. Using biased delayed neutron sampling and population control at time step boundaries calculation times were kept reasonably low. We have identified the initial source determination and the prompt chain simulations as key issues that require most attention. (authors)

Scouting the feasibility of Monte Carlo reactor dynamics simulations

Energy Technology Data Exchange (ETDEWEB)

Legrady, David [Forschungszentrum Dresden-Rossendorf, Dresden (Germany); Hoogenboom, J. Eduard [Delft University of Technology, Delft (Netherlands)

2008-07-01

In this paper we present an overview of the methodological questions related to Monte Carlo simulation of time dependent power transients in nuclear reactors. Investigations using a small fictional 3D reactor with isotropic scattering and a single energy group we have performed direct Monte Carlo transient calculations with simulation of delayed neutrons and with and without thermal feedback. Using biased delayed neutron sampling and population control at time step boundaries calculation times were kept reasonably low. We have identified the initial source determination and the prompt chain simulations as key issues that require most attention. (authors)

Monte Carlo Simulations of Phosphate Polyhedron Connectivity in Glasses

Energy Technology Data Exchange (ETDEWEB)

ALAM,TODD M.

1999-12-21

Monte Carlo simulations of phosphate tetrahedron connectivity distributions in alkali and alkaline earth phosphate glasses are reported. By utilizing a discrete bond model, the distribution of next-nearest neighbor connectivities between phosphate polyhedron for random, alternating and clustering bonding scenarios was evaluated as a function of the relative bond energy difference. The simulated distributions are compared to experimentally observed connectivities reported for solid-state two-dimensional exchange and double-quantum NMR experiments of phosphate glasses. These Monte Carlo simulations demonstrate that the polyhedron connectivity is best described by a random distribution in lithium phosphate and calcium phosphate glasses.

Design and evaluation of a Monte Carlo based model of an orthovoltage treatment system

International Nuclear Information System (INIS)

Penchev, Petar; Maeder, Ulf; Fiebich, Martin; Zink, Klemens; University Hospital Marburg

2015-01-01

The aim of this study was to develop a flexible framework of an orthovoltage treatment system capable of calculating and visualizing dose distributions in different phantoms and CT datasets. The framework provides a complete set of various filters, applicators and X-ray energies and therefore can be adapted to varying studies or be used for educational purposes. A dedicated user friendly graphical interface was developed allowing for easy setup of the simulation parameters and visualization of the results. For the Monte Carlo simulations the EGSnrc Monte Carlo code package was used. Building the geometry was accomplished with the help of the EGSnrc C++ class library. The deposited dose was calculated according to the KERMA approximation using the track-length estimator. The validation against measurements showed a good agreement within 4-5% deviation, down to depths of 20% of the depth dose maximum. Furthermore, to show its capabilities, the validated model was used to calculate the dose distribution on two CT datasets. Typical Monte Carlo calculation time for these simulations was about 10 minutes achieving an average statistical uncertainty of 2% on a standard PC. However, this calculation time depends strongly on the used CT dataset, tube potential, filter material/thickness and applicator size.

Review of Turkey's renewable energy potential

International Nuclear Information System (INIS)

Ozgur, M. Arif

2008-01-01

The use of renewable energy has a long history. Biomass, for instance, has been used for heating and cooking, while wind has been used in the irrigation of fields and to drive windmills for centuries. Although Turkey has many energy resources, all of these with the exception of coal and hydropower, cannot meet the total energy demand. Turkey has been importing resources to meet this deficit. These resources have become increasingly expensive and also have undesirably high emissions ratings. Turkey has an extensive shoreline and mountains and is rich in renewable energy potential. The share of renewables on total electricity generation is 29.63% while that of natural gas is 45% for the year 2006. The projection prepared for the period between 2006 and 2020 aims an annual growth of 8% for the total electricity generation. According to this projection, it is expected that renewables will have a share about 23.68% with a decrease of 5.95% while natural gas will have a share about 33.38% for 2020. This paper presents the present state of world renewable energy sources and then looks in detail at the potential resources available in Turkey. Energy politics are also considered. (author)

Modern potentials and the properties of condensed 4He

International Nuclear Information System (INIS)

Kalos, M.H.; Lee, M.A.; Whitlock, P.A.; Chester, G.V.

1981-01-01

The Green's-function Monte Carlo method has been used to calculate the properties of the ground-state 4 He with several modern potentials. One potential, dubbed HFDHE2, by Aziz et al., gave very good agreement with the experimental equation of state in both the liquid and crystal phases. Other properties such as the structure factor and the momentum distribution also compare well with the experiment. In both phases, perturbative estimates of the three-body Axilrod-Teller potential were computed. When they are added to the two-body energies, the total energy is no longer in agreement with experiment. Further investigation on the nature of three-body interactions in the 4 Fe may be necessary to elucidate this problem

LPM-Effect in Monte Carlo Models of Radiative Energy Loss

CERN Document Server

Zapp, Korinna C; Wiedemann, Urs Achim

2009-01-01

Extending the use of Monte Carlo (MC) event generators to jets in nuclear collisions requires a probabilistic implementation of the non-abelian LPM effect. We demonstrate that a local, probabilistic MC implementation based on the concept of formation times can account fully for the LPM-effect. The main features of the analytically known eikonal and collinear approximation can be reproduced, but we show how going beyond this approximation can lead to qualitatively different results.

Wind energy potential analysis in Al-Fattaih-Darnah

Energy Technology Data Exchange (ETDEWEB)

Tjahjana, Dominicus Danardono Dwi Prija, E-mail: danar1405@gmail.com; Salem, Abdelkarim Ali, E-mail: keemsalem@gmail.com; Himawanto, Dwi Aries, E-mail: dwiarieshimawanto@gmail.com [University of Sebelas Maret, Jl. Ir. Sutami No. 36 A, Surakarta, Indonesia 57126 (Indonesia)

2016-03-29

In this paper the wind energy potential in Al-Fattaih-Darnah, Libya, had been studied. Wind energy is very attractive because it can provide a clean and renewable energy. Due mostly to the uncertainty caused by the chaotic characteristics of wind near the earth’s surface, wind energy characteristic need to be investigated carefully in order to get consistent power generation. This investigation was based on one year wind data measured in 2003. As a result of the analysis, wind speed profile and wind energy potential have been developed. The wind energy potential of the location is looked very promising to generate electricity. The annual wind speed of the site is 8.21 m/s and the wind speed carrying maximum energy is 7.97 m/s. The annual power density of the site is classified into class 3. The Polaris P50-500 wind turbine can produce 768.39 M Wh/year and has capacity factor of 17.54%.

Modelling phase separation in Fe-Cr system using different atomistic kinetic Monte Carlo techniques

International Nuclear Information System (INIS)

Castin, N.; Bonny, G.; Terentyev, D.; Lavrentiev, M.Yu.; Nguyen-Manh, D.

2011-01-01

Atomistic kinetic Monte Carlo (AKMC) simulations were performed to study α-α' phase separation in Fe-Cr alloys. Two different energy models and two approaches to estimate the local vacancy migration barriers were used. The energy models considered are a two-band model Fe-Cr potential and a cluster expansion, both fitted to ab initio data. The classical Kang-Weinberg decomposition, based on the total energy change of the system, and an Artificial Neural Network (ANN), employed as a regression tool were used to predict the local vacancy migration barriers 'on the fly'. The results are compared with experimental thermal annealing data and differences between the applied AKMC approaches are discussed. The ability of the ANN regression method to accurately predict migration barriers not present in the training list is also addressed by performing cross-check calculations using the nudged elastic band method.

Free-energy coarse-grained potential for C60

International Nuclear Information System (INIS)

Edmunds, D. M.; Tangney, P.; Vvedensky, D. D.; Foulkes, W. M. C.

2015-01-01

We propose a new deformable free energy method for generating a free-energy coarse-graining potential for C 60 . Potentials generated from this approach exhibit a strong temperature dependence and produce excellent agreement with benchmark fully atomistic molecular dynamics simulations. Parameter sets for analytical fits to this potential are provided at four different temperatures

Renewable energy potential from biomass residues in Egypt

Energy Technology Data Exchange (ETDEWEB)

Said, N.; Zamorano, M. [Civil Engineering Dept., Univ. of Granada, Campus de Fuentenueva, Granada (Spain); El-Shatoury, S.A. [Botany Dept., Faculty of Sciences, Suez Canal Univ., Ismailia (Egypt)

2012-11-01

Egypt has been one of the developing countries following successful programs for the development of renewable energy resources, with special emphasis on solar, wind and biomass. Utilization of biomass as a source of energy is important from energetic as well as environmental viewpoint. Furthermore, Egypt produces millions of biomass waste every year causing pollution and health problems. So, the incorporation of biomass with other renewable energy will increase the impact of solving energy and environmental problem. There is a good potential for the utilization of biomass energy resources in Egypt. Four main types of biomass energy sources are included in this study: agricultural residues, municipal solid wastes, animal wastes and sewage sludge. Analysis of the potential biomass resource quantity and its theoretical energy content has been computed according to literature review. The agriculture crop residue represents the main source of biomass waste with a high considerable amount of the theoretical potential energy in Egypt. Rice straw is considered one of the most important of such residue due to its high amount and its produced energy through different conversion techniques represent a suitable candidate for crop energy production in Egypt.

A New Approach to Monte Carlo Simulations in Statistical Physics

Science.gov (United States)

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).

Bandwidth Study on Energy Use and Potential Energy Saving Opportunities in U.S. Chemical Manufacturing

Energy Technology Data Exchange (ETDEWEB)

Sabine Brueske, Caroline Kramer, Aaron Fisher

2015-06-01

Energy bandwidth studies of U.S. manufacturing sectors can serve as foundational references in framing the range (or bandwidth) of potential energy savings opportunities. This bandwidth study examines energy consumption and potential energy savings opportunities in U.S. chemical manufacturing. The study relies on multiple sources to estimate the energy used in the production of 74 individual chemicals, representing 57% of sector-wide energy consumption. Energy savings opportunities for individual chemicals and for 15 subsectors of chemicals manufacturing are based on technologies currently in use or under development; these potential savings are then extrapolated to estimate sector-wide energy savings opportunity.

Novel extrapolation method in the Monte Carlo shell model

International Nuclear Information System (INIS)

Shimizu, Noritaka; Abe, Takashi; Utsuno, Yutaka; Mizusaki, Takahiro; Otsuka, Takaharu; Honma, Michio

2010-01-01

We propose an extrapolation method utilizing energy variance in the Monte Carlo shell model to estimate the energy eigenvalue and observables accurately. We derive a formula for the energy variance with deformed Slater determinants, which enables us to calculate the energy variance efficiently. The feasibility of the method is demonstrated for the full pf-shell calculation of 56 Ni, and the applicability of the method to a system beyond the current limit of exact diagonalization is shown for the pf+g 9/2 -shell calculation of 64 Ge.

A bottom collider vertex detector design, Monte-Carlo simulation and analysis package

International Nuclear Information System (INIS)

Lebrun, P.

1990-01-01

A detailed simulation of the BCD vertex detector is underway. Specifications and global design issues are briefly reviewed. The BCD design based on double sided strip detector is described in more detail. The GEANT3-based Monte-Carlo program and the analysis package used to estimate detector performance are discussed in detail. The current status of the expected resolution and signal to noise ratio for the ''golden'' CP violating mode B d → π + π - is presented. These calculations have been done at FNAL energy (√s = 2.0 TeV). Emphasis is placed on design issues, analysis techniques and related software rather than physics potentials. 20 refs., 46 figs

Calculation of molecular free energies in classical potentials

International Nuclear Information System (INIS)

Farhi, Asaf; Singh, Bipin

2016-01-01

Free energies of molecules can be calculated by quantum chemistry computations or by normal mode classical calculations. However, the first can be computationally impractical for large molecules and the second is based on the assumption of harmonic dynamics. We present a novel, accurate and complete calculation of molecular free energies in standard classical potentials. In this method we transform the molecule by relaxing potential terms which depend on the coordinates of a group of atoms in that molecule and calculate the free energy difference associated with the transformation. Then, since the transformed molecule can be treated as non-interacting systems, the free energy associated with these atoms is analytically or numerically calculated. This two-step calculation can be applied to calculate free energies of molecules or free energy difference between (possibly large) molecules in a general environment. We demonstrate the method in free energy calculations for methanethiol and butane molecules in vacuum and solvent. We suggest the potential application of free energy calculation of chemical reactions in classical molecular simulations. (paper)

The Potential of Energy Storage Systems with Respect to Generation Adequacy and Economic Viability

Science.gov (United States)

Bradbury, Kyle Joseph

that few ESS technologies are likely to be implemented by investors alone. Next, the effects of ESSs on system reliability are quantified. Using historic data for wind, solar, and conventional generation, a correlation-preserving, copula-transform model was implemented in conjunction with Markov chain Monte Carlo framework for estimating system reliability indices. Systems with significant wind and solar penetration (25% or greater), even with added energy storage capacity, resulted in considerable decreases in generation adequacy. Lastly, rather than analyzing the reliability and costs in isolation of one another, system reliability, cost, and emissions were analyzed in 3-space to quantify and visualize the system tradeoffs. The modeling results implied that ESSs perform similarly to natural gas combined cycle (NGCC) systems with respect to generation adequacy and system cost, with the primary difference being that the generation adequacy improvements are less for ESSs than that of NGCC systems and the increase in LCOE is greater for ESSs than NGCC systems. Although ESSs do not appear to offer greater benefits than NGCC systems for managing energy on time intervals of 1-hour or more, we conclude that future research into short-term power balancing applications of ESSs, in particular for frequency regulation, is necessary to understand the full potential of ESSs in modern electric interconnections.

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

Science.gov (United States)

Good, Brian

2013-01-01

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Woody biomass energy potential in 2050

International Nuclear Information System (INIS)

Lauri, Pekka; Havlík, Petr; Kindermann, Georg; Forsell, Nicklas; Böttcher, Hannes; Obersteiner, Michael

2014-01-01

From a biophysical perspective, woody biomass resources are large enough to cover a substantial share of the world's primary energy consumption in 2050. However, these resources have alternative uses and their accessibility is limited, which tends to decrease their competitiveness with respect to other forms of energy. Hence, the key question of woody biomass use for energy is not the amount of resources, but rather their price. In this study we consider the question from the perspective of energy wood supply curves, which display the available amount of woody biomass for large-scale energy production at various hypothetical energy wood prices. These curves are estimated by the Global Biosphere Management Model (GLOBIOM), which is a global partial equilibrium model of forest and agricultural sectors. The global energy wood supply is estimated to be 0–23 Gm 3 /year (0–165 EJ/year) when energy wood prices vary in a range of 0–30$/GJ (0–216$/m 3 ). If we add household fuelwood to energy wood, then woody biomass could satisfy 2–18% of world primary energy consumption in 2050. If primary forests are excluded from wood supply then the potential decreases up to 25%. - highlights: • We examine woody biomass energy potential by partial equilibrium model of forest and agriculture sectors. • It is possible to satisfy 18% (or 14% if primary forests are excluded) of the world's primary energy consumption in 2050 by woody biomass. • To achieve this would require an extensive subsidy/tax policy and would lead to substantial higher woody biomass prices compared to their current level

Monte Carlo and detector simulation in OOP [Object-Oriented Programming

International Nuclear Information System (INIS)

Atwood, W.B.; Blankenbecler, R.; Kunz, P.; Burnett, T.; Storr, K.M.

1990-10-01

Object-Oriented Programming techniques are explored with an eye toward applications in High Energy Physics codes. Two prototype examples are given: McOOP (a particle Monte Carlo generator) and GISMO (a detector simulation/analysis package)

PERHITUNGAN VaR PORTOFOLIO SAHAM MENGGUNAKAN DATA HISTORIS DAN DATA SIMULASI MONTE CARLO

Directory of Open Access Journals (Sweden)

WAYAN ARTHINI

2012-09-01

Full Text Available Value at Risk (VaR is the maximum potential loss on a portfolio based on the probability at a certain time.  In this research, portfolio VaR values calculated from historical data and Monte Carlo simulation data. Historical data is processed so as to obtain stock returns, variance, correlation coefficient, and variance-covariance matrix, then the method of Markowitz sought proportion of each stock fund, and portfolio risk and return portfolio. The data was then simulated by Monte Carlo simulation, Exact Monte Carlo Simulation and Expected Monte Carlo Simulation. Exact Monte Carlo simulation have same returns and standard deviation  with historical data, while the Expected Monte Carlo Simulation satistic calculation similar to historical data. The results of this research is the portfolio VaR  with time horizon T=1, T=10, T=22 and the confidence level of 95 %, values obtained VaR between historical data and Monte Carlo simulation data with the method exact and expected. Value of VaR from both Monte Carlo simulation is greater than VaR historical data.

Atmospheric fluxes and energy spectra of positive and negative muons from Monte-Carlo simulations

International Nuclear Information System (INIS)

Vulpescu, B.; Brancus, I.M.; Badea, A.F.; Duma, M.; Bozdog, H.; Petru, M.; Rebel, H.; Weintz, J.; Mathes, H.J.; Haungs, A.; Roth, M.

1999-01-01

Cosmic ray muons observed with detectors placed at the ground level originate from the decay of mesons produced by interactions of high energy cosmic ray primaries with air nuclei, mainly due to the decay of charged pions and kaons, processes which lead also to the production of atmospheric neutrinos. Prompted by recent accurate measurements of the charge ratio of atmospheric muons, the flux and energy spectra of positive and negative muons have been studied on the basis of Monte-Carlo simulations (CORSIKA) of the EAS development, using the GHEISHA and VENUS model as generators. The results have been analysed and compared with data under the aspect of their sensitivity to details of the hadronic interaction, in particular in the 3 GeV/n - 20 TeV/n region. The muon charge ratio proves to be a sensitive test quantity for the production model and propagation and it exhibits peculiar features at low energies (< 1 GeV). Results are shown, from magnetic spectrometer experiments in the difficult region of low momenta as well as the precise values obtained with the WILLI detector by observing the lifetime of negative muons stopped in material. The CORSIKA predictions on the charge ratio show a drop below 1 for very low muon momentum and needs further experimental investigations. The EAST-WEST effect is characteristic for low muon momenta and is well reproduced by simulations. The WILLI detector is planned to be developed in a new configuration, being able to investigate with high accuracy the muon charge ratio at different zenithal and azimuthal directions. (authors)

Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

Science.gov (United States)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

1994-01-01

Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

The application of Monte Carlo method to electron and photon beams transport; Zastosowanie metody Monte Carlo do analizy transportu elektronow i fotonow

Energy Technology Data Exchange (ETDEWEB)

Zychor, I. [Soltan Inst. for Nuclear Studies, Otwock-Swierk (Poland)

1994-12-31

The application of a Monte Carlo method to study a transport in matter of electron and photon beams is presented, especially for electrons with energies up to 18 MeV. The SHOWME Monte Carlo code, a modified version of GEANT3 code, was used on the CONVEX C3210 computer at Swierk. It was assumed that an electron beam is mono directional and monoenergetic. Arbitrary user-defined, complex geometries made of any element or material can be used in calculation. All principal phenomena occurring when electron beam penetrates the matter are taken into account. The use of calculation for a therapeutic electron beam collimation is presented. (author). 20 refs, 29 figs.

Monte Carlo perturbation theory in neutron transport calculations

International Nuclear Information System (INIS)

Hall, M.C.G.

1980-01-01

The need to obtain sensitivities in complicated geometrical configurations has resulted in the development of Monte Carlo sensitivity estimation. A new method has been developed to calculate energy-dependent sensitivities of any number of responses in a single Monte Carlo calculation with a very small time penalty. This estimation typically increases the tracking time per source particle by about 30%. The method of estimation is explained. Sensitivities obtained are compared with those calculated by discrete ordinates methods. Further theoretical developments, such as second-order perturbation theory and application to k/sub eff/ calculations, are discussed. The application of the method to uncertainty analysis and to the analysis of benchmark experiments is illustrated. 5 figures

MVP/GMVP 2: general purpose Monte Carlo codes for neutron and photon transport calculations based on continuous energy and multigroup methods

International Nuclear Information System (INIS)

Nagaya, Yasunobu; Okumura, Keisuke; Mori, Takamasa; Nakagawa, Masayuki

2005-06-01

In order to realize fast and accurate Monte Carlo simulation of neutron and photon transport problems, two vectorized Monte Carlo codes MVP and GMVP have been developed at JAERI. MVP is based on the continuous energy model and GMVP is on the multigroup model. Compared with conventional scalar codes, these codes achieve higher computation speed by a factor of 10 or more on vector super-computers. Both codes have sufficient functions for production use by adopting accurate physics model, geometry description capability and variance reduction techniques. The first version of the codes was released in 1994. They have been extensively improved and new functions have been implemented. The major improvements and new functions are (1) capability to treat the scattering model expressed with File 6 of the ENDF-6 format, (2) time-dependent tallies, (3) reaction rate calculation with the pointwise response function, (4) flexible source specification, (5) continuous-energy calculation at arbitrary temperatures, (6) estimation of real variances in eigenvalue problems, (7) point detector and surface crossing estimators, (8) statistical geometry model, (9) function of reactor noise analysis (simulation of the Feynman-α experiment), (10) arbitrary shaped lattice boundary, (11) periodic boundary condition, (12) parallelization with standard libraries (MPI, PVM), (13) supporting many platforms, etc. This report describes the physical model, geometry description method used in the codes, new functions and how to use them. (author)

Assessing the Potential for Renewable Energy on Public Lands

Energy Technology Data Exchange (ETDEWEB)

2003-02-01

This report represents an initial activity of the Bureau of Land Managements (BLM) proposed National Energy Policy Implementation Plan: identify and evaluate renewable energy resources on federal lands and any limitations on accessing them. Ultimately, BLM will prioritize land-use planning activities to increase industrys development of renewable energy resources. These resources include solar, biomass, geothermal, water, and wind energy. To accomplish this, BLM and the Department of Energys National Renewable Energy Laboratory (NREL) established a partnership to conduct an assessment of renewable energy resources on BLM lands in the western United States. The objective of this collaboration was to identify BLM planning units in the western states with the highest potential for private-sector development of renewable resources. The assessment resulted in the following findings: (1) 63 BLM planning units in nine western states have high potential for one or more renewable energy technologies; and (2) 20 BLM planning units in seven western states have high potential for power production from three or more renewable energy sources. This assessment report provides BLM with information needed to prioritize land-use planning activities on the basis of potential for the development of energy from renewable resources.

Energy potential of the modified excess sludge

Science.gov (United States)

Zawieja, Iwona

2017-11-01

On the basis of the SCOD value of excess sludge it is possible to estimate an amount of energy potentially obtained during the methane fermentation process. Based on a literature review, it has been estimated that from 1 kg of SCOD it is possible to obtain 3.48 kWh of energy. Taking into account the above methane and energy ratio (i.e. 10 kWh/1Nm3 CH4), it is possible to determine the volume of methane obtained from the tested sludge. Determination of potential energy of sludge is necessary for the use of biogas as a source of power generators as cogeneration and ensure the stability of this type of system. Therefore, the aim of the study was to determine the energy potential of excess sludge subjected to the thermal and chemical disintegration. In the case of thermal disintegration, test was conducted in the low temperature 80°C. The reagent used for the chemical modification was a peracetic acid, which in an aqueous medium having strong oxidizing properties. The time of chemical modification was 6 hours. Applied dose of the reagent was 1.0 ml CH3COOOH/L of sludge. By subjecting the sludge disintegration by the test methods achieved an increase in the SCOD value of modified sludge, indicating the improvement of biodegradability along with a concomitant increase in their energy potential. The obtained experimental production of biogas from disintegrated sludge confirmed that it is possible to estimate potential intensity of its production. The SCOD value of 2576 mg O2/L, in the case of chemical disintegration, was obtained for a dose of 1.0 ml CH3COOH/L. For this dose the pH value was equal 6.85. In the case of thermal disintegration maximum SCOD value was 2246 mg O2/L obtained at 80°C and the time of preparation 6 h. It was estimated that in case of thermal disintegration as well as for the chemical disintegration for selected parameters, the potential energy for model digester of active volume of 5L was, respectively, 0.193 and 0,118 kWh.

Energy potential of the modified excess sludge

Directory of Open Access Journals (Sweden)

Zawieja Iwona

2017-01-01

Full Text Available On the basis of the SCOD value of excess sludge it is possible to estimate an amount of energy potentially obtained during the methane fermentation process. Based on a literature review, it has been estimated that from 1 kg of SCOD it is possible to obtain 3.48 kWh of energy. Taking into account the above methane and energy ratio (i.e. 10 kWh/1Nm3 CH4, it is possible to determine the volume of methane obtained from the tested sludge. Determination of potential energy of sludge is necessary for the use of biogas as a source of power generators as cogeneration and ensure the stability of this type of system. Therefore, the aim of the study was to determine the energy potential of excess sludge subjected to the thermal and chemical disintegration. In the case of thermal disintegration, test was conducted in the low temperature 80°C. The reagent used for the chemical modification was a peracetic acid, which in an aqueous medium having strong oxidizing properties. The time of chemical modification was 6 hours. Applied dose of the reagent was 1.0 ml CH3COOOH/L of sludge. By subjecting the sludge disintegration by the test methods achieved an increase in the SCOD value of modified sludge, indicating the improvement of biodegradability along with a concomitant increase in their energy potential. The obtained experimental production of biogas from disintegrated sludge confirmed that it is possible to estimate potential intensity of its production. The SCOD value of 2576 mg O2/L, in the case of chemical disintegration, was obtained for a dose of 1.0 ml CH3COOH/L. For this dose the pH value was equal 6.85. In the case of thermal disintegration maximum SCOD value was 2246 mg O2/L obtained at 80°C and the time of preparation 6 h. It was estimated that in case of thermal disintegration as well as for the chemical disintegration for selected parameters, the potential energy for model digester of active volume of 5L was, respectively, 0.193 and 0,118 kWh.

Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk [Departments of Physics and Astronomy, University College London, Thomas Young Center, London Centre for Nanotechnology, London WC1E 6BT (United Kingdom); Cohen, R. E. [Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015 (United States); Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333 (Germany); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2016-08-14

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.

Geothermal Energy Potential in Western United States

Science.gov (United States)

Pryde, Philip R.

1977-01-01

Reviews types of geothermal energy sources in the western states, including hot brine systems and dry steam systems. Conversion to electrical energy is a major potential use of geothermal energy, although it creates environmental disruptions such as noise, corrosion, and scaling of equipment. (AV)

Current and future applications of Monte Carlo

International Nuclear Information System (INIS)

Zaidi, H.

2003-01-01

Full text: The use of radionuclides in medicine has a long history and encompasses a large area of applications including diagnosis and radiation treatment of cancer patients using either external or radionuclide radiotherapy. The 'Monte Carlo method'describes a very broad area of science, in which many processes, physical systems, and phenomena are simulated by statistical methods employing random numbers. The general idea of Monte Carlo analysis is to create a model, which is as similar as possible to the real physical system of interest, and to create interactions within that system based on known probabilities of occurrence, with random sampling of the probability density functions (pdfs). As the number of individual events (called 'histories') is increased, the quality of the reported average behavior of the system improves, meaning that the statistical uncertainty decreases. The use of the Monte Carlo method to simulate radiation transport has become the most accurate means of predicting absorbed dose distributions and other quantities of interest in the radiation treatment of cancer patients using either external or radionuclide radiotherapy. The same trend has occurred for the estimation of the absorbed dose in diagnostic procedures using radionuclides as well as the assessment of image quality and quantitative accuracy of radionuclide imaging. As a consequence of this generalized use, many questions are being raised primarily about the need and potential of Monte Carlo techniques, but also about how accurate it really is, what would it take to apply it clinically and make it available widely to the nuclear medicine community at large. Many of these questions will be answered when Monte Carlo techniques are implemented and used for more routine calculations and for in-depth investigations. In this paper, the conceptual role of the Monte Carlo method is briefly introduced and followed by a survey of its different applications in diagnostic and therapeutic

Validation of the Monte Carlo criticality program KENO IV and the Hansen-Roach sixteen-energy-group-cross sections for high-assay uranium systems

International Nuclear Information System (INIS)

Handley, G.R.; Masters, L.C.; Stachowiak, R.V.

1981-01-01

Validation of the Monte Carlo criticality code, KENO IV, and the Hansen-Roach sixteen-energy-group cross sections was accomplished by calculating the effective neutron multiplication constant, k/sub eff/, of 29 experimentally critical assemblies which had uranium enrichments of 92.6% or higher in the uranium-235 isotope. The experiments were chosen so that a large variety of geometries and of neutron energy spectra were covered. Problems, calculating the k/sub eff/ of systems with high-uranium-concentration uranyl nitrate solution that were minimally reflected or unreflected, resulted in the separate examination of five cases

Defining The Energy Saving Potential of Architectural Design

DEFF Research Database (Denmark)

Naboni, Emanuele; Malcangi, Antonio; Zhang, Yi

2015-01-01

Designers, in response to codes or voluntary " green building " programs, are increasingly concerned with building energy demand reduction, but they are not fully aware of the energy saving potential of architectural design. According to literature, building form, construction and material choices...... on sustainable design: " Design With Climate " by Olgyay (1963), which discussed strategies for climate-adapted architecture, and Lechner´s " Heating, Cooling and Lighting " (1991), on how to reduce building energy needs by as much as 60 – 80 percent with proper architectural design decisions. Both books used...... behaviour. The research shows the best solution for each of the climates and compares them with Olgyay´s findings. Finally, for each climate the energy saving potential is defined and then compared to Lechner's conclusions. Defining The Energy Saving Potential of Architectural Design (PDF Download Available...

The wind energy potential in Argentina

International Nuclear Information System (INIS)

Alvarez, P

2005-01-01

The wind energy are increasing its contribution to large scale electricity generation in many countries.The high technical maturity reached by modern wind turbines returns it viable and competitive in many regions, specially in those where a suitable legal framework stimulates the generation from renewable sources of energy.As this regard, the objective of this report is to demonstrate that, far from being limited to provide energy to remote, dispersed or geographically isolated sites not served by conventional networks, the wind energy has fully potential to supply a pretty relevant part of the electrical consumption of the great urban centers located in those zones of the country favored with this resource.For it, two preliminary estimations has done: the total 'windy' surface area in geographic proximity of the high voltage lines and electrical substations of the Argentine System of Interconnection (SADI) able 'to be seeded' with wind turbines, and the total electrical energy feasible of being generated from them.The paper supposes the exclusion of important non apt areas by virtue of strictly geographic, economic or environmental considerations.Even so, the result of the final calculation is extraordinarily high and promissory: if only 4% of the total surface of the contiguous land areas (in a maximum radius of 62 km) to the high voltage transmission system (in which the annual mean wind speed surpasses the 5.55 m/s) would be filled with power wind turbines, the annual average energy produced by them would be equivalent to 89% of the estimated national electrical consumption for year 2013.The usable wind potential in favorable technical conditions for commercial generation rounds this way around 40,000 MW, that would report an annual average energy of 100,000 GWh, occupying an area near 5000 km 2 .The total wind energy potential is (of course) considerably greater. Anyway, given the random nature of the wind and the consequent characteristics of not firm power

Monte Carlo simulation of the microcanonical ensemble

International Nuclear Information System (INIS)

Creutz, M.

1984-01-01

We consider simulating statistical systems with a random walk on a constant energy surface. This combines features of deterministic molecular dynamics techniques and conventional Monte Carlo simulations. For discrete systems the method can be programmed to run an order of magnitude faster than other approaches. It does not require high quality random numbers and may also be useful for nonequilibrium studies. 10 references