USBIA-San Carlos Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Yes Activity Buying Transmission Yes Activity Distribution Yes Activity Wholesale Marketing Yes Activity Retail Marketing Yes Alt Fuel Vehicle Yes This article is a stub. You...
San Carlos Apache Tribe- 2012 Project
Under this project, the San Carlos Apache Tribe will study the feasibility of solar energy projects within the reservation with the potential to generate a minimum of 1 megawatt (MW).
Project Reports for San Carlos Apache Tribe- 2012 Project
Office of Energy Efficiency and Renewable Energy (EERE)
Under this project, the San Carlos Apache Tribe will study the feasibility of solar energy projects within the reservation with the potential to generate a minimum of 1 megawatt (MW).
San Carlos Apache Tribe- 2011 Project
The core purpose of this project is to provide for the analysis and implementation of a Tribal Energy Organization that can effectively provide for coordination, leadership, and energy expertise to the rest of the tribal government in understanding and pursuing energy programs and plans.
Project Reports for San Carlos Apache Tribe- 2011 Project
The core purpose of this project is to provide for the analysis and implementation of a Tribal Energy Organization that can effectively provide for coordination, leadership, and energy expertise to the rest of the tribal government in understanding and pursuing energy programs and plans.
MO-E-18C-02: Hands-On Monte Carlo Project Assignment as a Method to Teach Radiation Physics
Pater, P; Vallieres, M; Seuntjens, J
2014-06-15
Purpose: To present a hands-on project on Monte Carlo methods (MC) recently added to the curriculum and to discuss the students' appreciation. Methods: Since 2012, a 1.5 hour lecture dedicated to MC fundamentals follows the detailed presentation of photon and electron interactions. Students also program all sampling steps (interaction length and type, scattering angle, energy deposit) of a MC photon transport code. A handout structured in a step-by-step fashion guides student in conducting consistency checks. For extra points, students can code a fully working MC simulation, that simulates a dose distribution for 50 keV photons. A kerma approximation to dose deposition is assumed. A survey was conducted to which 10 out of the 14 attending students responded. It compared MC knowledge prior to and after the project, questioned the usefulness of radiation physics teaching through MC and surveyed possible project improvements. Results: According to the survey, 76% of students had no or a basic knowledge of MC methods before the class and 65% estimate to have a good to very good understanding of MC methods after attending the class. 80% of students feel that the MC project helped them significantly to understand simulations of dose distributions. On average, students dedicated 12.5 hours to the project and appreciated the balance between hand-holding and questions/implications. Conclusion: A lecture on MC methods with a hands-on MC programming project requiring about 14 hours was added to the graduate study curriculum since 2012. MC methods produce “gold standard” dose distributions and slowly enter routine clinical work and a fundamental understanding of MC methods should be a requirement for future students. Overall, the lecture and project helped students relate crosssections to dose depositions and presented numerical sampling methods behind the simulation of these dose distributions. Research funding from governments of Canada and Quebec. PP acknowledges
Energy Science and Technology Software Center (OSTI)
2010-10-20
The "Monte Carlo Benchmark" (MCB) is intended to model the computatiional performance of Monte Carlo algorithms on parallel architectures. It models the solution of a simple heuristic transport equation using a Monte Carlo technique. The MCB employs typical features of Monte Carlo algorithms such as particle creation, particle tracking, tallying particle information, and particle destruction. Particles are also traded among processors using MPI calls.
Energy Science and Technology Software Center (OSTI)
2006-05-09
The Monte Carlo example programs VARHATOM and DMCATOM are two small, simple FORTRAN programs that illustrate the use of the Monte Carlo Mathematical technique for calculating the ground state energy of the hydrogen atom.
Carlo Cavallotti | Argonne National Laboratory
U.S. Department of Energy (DOE) all webpages (Extended Search)
Carlo Cavallotti Visiting Scientist Telephone (630) 252-768
Carlos Wagner | Argonne National Laboratory
U.S. Department of Energy (DOE) all webpages (Extended Search)
Carlos Wagner Physicist, Group Leader Telephone (630) 252-3759 E-mail cwagner
McIlhany, K.; Whitehouse, D.; Smith, D.; Eisner, A.M.; Wang, Y.X.
1994-12-31
A Monte Carlo program describing the response of the Liquid Scintillation Neutrino Detector (LSND) at the Los Alamos Meson Physics Facility (LAMPF) was written using the GEANT geometry and simulation package. Neutrino interactions were simulated in the detector through the production of Cerenkov and scintillation light in the range of 2-3 eV. Since GEANT does not normally track photons to electron-volt energies, the tracking program (TRAK) was modified to produce both Cerenkov and scintillator light, the latter being simulated using the Birks equation. The LSND Monte Carlo program was used to predict the quantity of scintillator (b-PBD) used in the mineral oil to provide a ratio of roughly 4:1 light output resulting from scintillation and Cerenkov light respectively.
Marcus, Ryan C.
2012-07-25
MCMini is a proof of concept that demonstrates the possibility for Monte Carlo neutron transport using OpenCL with a focus on performance. This implementation, written in C, shows that tracing particles and calculating reactions on a 3D mesh can be done in a highly scalable fashion. These results demonstrate a potential path forward for MCNP or other Monte Carlo codes.
Federal University of Sao Carlos | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Sao Carlos Jump to: navigation, search Name: Federal University of Sao Carlos Place: Sao Carlos, Sao Paulo, Brazil Zip: 13565-905 Product: Federal university of Sao Carlos....
Monte Carlo simulation for the transport beamline
Romano, F.; Cuttone, G.; Jia, S. B.; Varisano, A.; Attili, A.; Marchetto, F.; Russo, G.; Cirrone, G. A. P.; Schillaci, F.; Scuderi, V.; Carpinelli, M.
2013-07-26
In the framework of the ELIMED project, Monte Carlo (MC) simulations are widely used to study the physical transport of charged particles generated by laser-target interactions and to preliminarily evaluate fluence and dose distributions. An energy selection system and the experimental setup for the TARANIS laser facility in Belfast (UK) have been already simulated with the GEANT4 (GEometry ANd Tracking) MC toolkit. Preliminary results are reported here. Future developments are planned to implement a MC based 3D treatment planning in order to optimize shots number and dose delivery.
Quantum Gibbs ensemble Monte Carlo
Fantoni, Riccardo; Moroni, Saverio
2014-09-21
We present a path integral Monte Carlo method which is the full quantum analogue of the Gibbs ensemble Monte Carlo method of Panagiotopoulos to study the gas-liquid coexistence line of a classical fluid. Unlike previous extensions of Gibbs ensemble Monte Carlo to include quantum effects, our scheme is viable even for systems with strong quantum delocalization in the degenerate regime of temperature. This is demonstrated by an illustrative application to the gas-superfluid transition of {sup 4}He in two dimensions.
U.S. Energy Information Administration (EIA) (indexed site)
Projecting the scale of the pipeline network for CO2-EOR and its implications for CCS infrastructure development Matthew Tanner Office of Petroleum, Gas, & Biofuels Analysis U.S. Energy Information Administration October 25, 2010 This paper is released to encourage discussion and critical comment. The analysis and conclusions ex- pressed here are those of the author and not necessarily those of the U.S. Energy Information Administration. Author: Matthew Tanner, matthew.tanner@eia.gov
Isotropic Monte Carlo Grain Growth
Energy Science and Technology Software Center (OSTI)
2013-04-25
IMCGG performs Monte Carlo simulations of normal grain growth in metals on a hexagonal grid in two dimensions with periodic boundary conditions. This may be performed with either an isotropic or a misorientation - and incliantion-dependent grain boundary energy.
The Monte Carlo Independent Column Approximation Model Intercomparison
U.S. Department of Energy (DOE) all webpages (Extended Search)
Project (McMIP) The Monte Carlo Independent Column Approximation Model Intercomparison Project (McMIP) Barker, Howard Meteorological Service of Canada Cole, Jason Meteorological Service of Canada Raisanen, Petri Finnish Meteorological Institute Pincus, Robert NOAA-CIRES Climate Diagnostics Center Morcrette, Jean-Jacques European Centre for Medium-Range Weather Forecasts Li, Jiangnan Canadian Center for Climate Modelling Stephens, Graeme Colorado State University Vaillancourt, Paul
Exact Monte Carlo for molecules
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 + H2, and the singlet-triplet splitting in methylene are presented and discussed. 17 refs.
San Carlos Apache Tribe - Energy Organizational Analysis
Rapp, James; Albert, Steve
2012-04-01
The San Carlos Apache Tribe (SCAT) was awarded $164,000 in late-2011 by the U.S. Department of Energy (U.S. DOE) Tribal Energy Program's "First Steps Toward Developing Renewable Energy and Energy Efficiency on Tribal Lands" Grant Program. This grant funded: The analysis and selection of preferred form(s) of tribal energy organization (this Energy Organization Analysis, hereinafter referred to as "EOA"). Start-up staffing and other costs associated with the Phase 1 SCAT energy organization. An intern program. Staff training. Tribal outreach and workshops regarding the new organization and SCAT energy programs and projects, including two annual tribal energy summits (2011 and 2012). This report documents the analysis and selection of preferred form(s) of a tribal energy organization.
San Carlos Apache Tribe Solar Feasibility Study
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Carlos Apache Tribe Solar Feasibility Study San Carlos Apache Tribe And Reservation * 90 miles east of Phoenix * Membership: 15,000 * 1.83 million acres. * 2nd highest rated level of solar resource potential * Main employers: Tribe / IHS /BIA / Schools / Casino / Telecom * Utilities: Telecom, MTSS, Utility Authority * Revenue: Casino, farming, water leasing, saw mill, hunting/fishing, sand & gravel/telecom San Carlos Apache Reservation San Carlos Apache Mission Statement The Apache People
Quantum Monte Carlo Calculations in Nuclear Theory | Argonne Leadership
U.S. Department of Energy (DOE) all webpages (Extended Search)
Computing Facility Blue Gene/Q scaling This figure shows Blue Gene/Q scaling with respect to increasing number of nodes for calculations of the first isospin-1 state of $^{12}$C. The good multinode scaling is a result of the ADLB library. Quantum Monte Carlo Calculations in Nuclear Theory PI Name: Steven Pieper PI Email: spieper@anl.gov Institution: Argonne National Laboratory Allocation Program: ESP Year: 2015 Research Domain: Physics Tier 2 Code Development Project Numerical
Monte Carlo Simulations of APEX
Xu, G.
1995-10-01
Monte Carlo simulationsof the APEX apparatus, a spectrometer designed to meausre positron-electron pairs produced in heavy-ion collisions, carried out using GEANT are reported. The results of these simulations are compared with data from measurements of conversion electron, positron and part emitting sources as well as with the results of in-beam measurements of positrons and electrons. The overall description of the performance of the apparatus is excellent.
Energy Monte Carlo (EMCEE) | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
with a specific set of distributions. Both programs run as spreadsheet workbooks in Microsoft Excel. EMCEE and Emc2 require Crystal Ball, a commercially available Monte Carlo...
ARM - Carlos Sousa Interview (English Version)
U.S. Department of Energy (DOE) all webpages (Extended Search)
DeployementCarlos Sousa Interview (English Version) Azores Deployment AMF Home Graciosa Island Home Data Plots and Baseline Instruments Satellite Retrievals Experiment Planning...
APR1400 LBLOCA uncertainty quantification by Monte Carlo method and comparison with Wilks' formula
Hwang, M.; Bae, S.; Chung, B. D.
2012-07-01
An analysis of the uncertainty quantification for the PWR LBLOCA by the Monte Carlo calculation has been performed and compared with the tolerance level determined by Wilks' formula. The uncertainty range and distribution of each input parameter associated with the LBLOCA accident were determined by the PIRT results from the BEMUSE project. The Monte-Carlo method shows that the 95. percentile PCT value can be obtained reliably with a 95% confidence level using the Wilks' formula. The extra margin by the Wilks' formula over the true 95. percentile PCT by the Monte-Carlo method was rather large. Even using the 3 rd order formula, the calculated value using the Wilks' formula is nearly 100 K over the true value. It is shown that, with the ever increasing computational capability, the Monte-Carlo method is accessible for the nuclear power plant safety analysis within a realistic time frame. (authors)
The MC21 Monte Carlo Transport Code
Sutton TM, Donovan TJ, Trumbull TH, Dobreff PS, Caro E, Griesheimer DP, Tyburski LJ, Carpenter DC, Joo H
2007-01-09
MC21 is a new Monte Carlo neutron and photon transport code currently under joint development at the Knolls Atomic Power Laboratory and the Bettis Atomic Power Laboratory. MC21 is the Monte Carlo transport kernel of the broader Common Monte Carlo Design Tool (CMCDT), which is also currently under development. The vision for CMCDT is to provide an automated, computer-aided modeling and post-processing environment integrated with a Monte Carlo solver that is optimized for reactor analysis. CMCDT represents a strategy to push the Monte Carlo method beyond its traditional role as a benchmarking tool or ''tool of last resort'' and into a dominant design role. This paper describes various aspects of the code, including the neutron physics and nuclear data treatments, the geometry representation, and the tally and depletion capabilities.
Monte-Carlo particle dynamics in a variable specific impulse...
Office of Scientific and Technical Information (OSTI)
Monte-Carlo particle dynamics in a variable specific impulse magnetoplasma rocket Citation Details In-Document Search Title: Monte-Carlo particle dynamics in a variable specific ...
Fundamentals of Monte Carlo (Technical Report) | SciTech Connect
Office of Scientific and Technical Information (OSTI)
Fundamentals of Monte Carlo Citation Details In-Document Search Title: Fundamentals of Monte Carlo Authors: Wollaber, Allan Benton 1 + Show Author Affiliations Los Alamos ...
A hybrid Monte Carlo method for equilibrium equation of state...
Office of Scientific and Technical Information (OSTI)
MONTE CARLO SIMULATION METHODS Benchmark for perturbation theory methods NPT, NVT - single ... EXPLOSIVES; MIXTURES; MONTE CARLO METHOD; PERTURBATION THEORY; SHOCK WAVES; SIMULATION
Optimized nested Markov chain Monte Carlo sampling: theory (Conference...
Office of Scientific and Technical Information (OSTI)
Optimized nested Markov chain Monte Carlo sampling: theory Citation Details In-Document Search Title: Optimized nested Markov chain Monte Carlo sampling: theory Metropolis Monte ...
Applications of FLUKA Monte Carlo Code for Nuclear and Accelerator...
Office of Scientific and Technical Information (OSTI)
Applications of FLUKA Monte Carlo Code for Nuclear and Accelerator Physics Citation Details In-Document Search Title: Applications of FLUKA Monte Carlo Code for Nuclear and ...
Exponential convergence with adaptive Monte Carlo
Booth, T.E.
1997-11-01
For over a decade, it has been known that exponential convergence on discrete transport problems was possible using adaptive Monte Carlo techniques. Now, exponential convergence has been empirically demonstrated on a spatially continuous problem.
Monte Carlo Ion Transport Analysis Code.
Energy Science and Technology Software Center (OSTI)
2009-04-15
Version: 00 TRIPOS is a versatile Monte Carlo ion transport analysis code. It has been applied to the treatment of both surface and bulk radiation effects. The media considered is composed of multilayer polyatomic materials.
Improved Monte Carlo Renormalization Group Method
DOE R&D Accomplishments [OSTI]
Gupta, R.; Wilson, K. G.; Umrigar, C.
1985-01-01
An extensive program to analyze critical systems using an Improved Monte Carlo Renormalization Group Method (IMCRG) being undertaken at LANL and Cornell is described. Here we first briefly review the method and then list some of the topics being investigated.
Carlos Hernandez Faham LBNL NERSC@40
U.S. Department of Energy (DOE) all webpages (Extended Search)
Carlos Hernandez Faham LBNL NERSC@40 Feb 5, 2014 The Large Underground Xenon (LUX) experiment and NERSC NERSC@40 Feb 5, 2014 Carlos Faham 2 Then and now... The Malloc machine, 1933 Edison, 2014 Solved 10 simultaneous differential equations Can do that, too When researchers talk about neutron stars, dark matter and gravitational lenses, they all start the same way: "Zwicky noticed this problem in the 1930s. Back then, nobody listened . . ." Stephen Maurer "Who the devil are
Fast Monte Carlo for radiation therapy: the PEREGRINE Project...
Office of Scientific and Technical Information (OSTI)
The purpose of the PEREGRINE program is to bring high-speed, ... Language: English Subject: 55 BIOLOGY AND MEDICINE, BASIC STUDIES; RADIOTHERAPY; PLANNING; COMPUTER CALCULATIONS; ...
An Advanced Neutronic Analysis Toolkit with Inline Monte Carlo capability for BHTR Analysis
William R. Martin; John C. Lee
2009-12-30
Monte Carlo capability has been combined with a production LWR lattice physics code to allow analysis of high temperature gas reactor configurations, accounting for the double heterogeneity due to the TRISO fuel. The Monte Carlo code MCNP5 has been used in conjunction with CPM3, which was the testbench lattice physics code for this project. MCNP5 is used to perform two calculations for the geometry of interest, one with homogenized fuel compacts and the other with heterogeneous fuel compacts, where the TRISO fuel kernels are resolved by MCNP5.
Crossing the mesoscale no-mans land via parallel kinetic Monte Carlo.
Garcia Cardona, Cristina (San Diego State University); Webb, Edmund Blackburn, III; Wagner, Gregory John; Tikare, Veena; Holm, Elizabeth Ann; Plimpton, Steven James; Thompson, Aidan Patrick; Slepoy, Alexander (U. S. Department of Energy, NNSA); Zhou, Xiao Wang; Battaile, Corbett Chandler; Chandross, Michael Evan
2009-10-01
The kinetic Monte Carlo method and its variants are powerful tools for modeling materials at the mesoscale, meaning at length and time scales in between the atomic and continuum. We have completed a 3 year LDRD project with the goal of developing a parallel kinetic Monte Carlo capability and applying it to materials modeling problems of interest to Sandia. In this report we give an overview of the methods and algorithms developed, and describe our new open-source code called SPPARKS, for Stochastic Parallel PARticle Kinetic Simulator. We also highlight the development of several Monte Carlo models in SPPARKS for specific materials modeling applications, including grain growth, bubble formation, diffusion in nanoporous materials, defect formation in erbium hydrides, and surface growth and evolution.
Interaction picture density matrix quantum Monte Carlo
Malone, Fionn D. Lee, D. K. K.; Foulkes, W. M. C.; Blunt, N. S.; Shepherd, James J.; Spencer, J. S.
2015-07-28
The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N-body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures. We demonstrate that moving to the interaction picture provides substantial benefits when applying DMQMC to interacting fermions. In this first study, we focus on a system of much recent interest: the uniform electron gas in the warm dense regime. The basis set incompleteness error at finite temperature is investigated and extrapolated via a simple Monte Carlo sampling procedure. Finally, we provide benchmark calculations for a four-electron system, comparing our results to previous work where possible.
Public Repository with Monte Carlo Simulations | Argonne National
U.S. Department of Energy (DOE) all webpages (Extended Search)
Laboratory Capabilities Electronics Design and Fabrication High Performance Computing Mechanical Engineering Monte Carlo Simulations Public Repository with Monte Carlo Simulations Public Repository with Monte Carlo Simulations The High Energy maintains a repository with Monte Carlo simulations for current and future particle-collision experiments. This repository, called HepSim, has started during the US long-term planning study of the American Physical Society's Division of Particles and
Advanced Mesh-Enabled Monte carlo capability for Multi-Physics Reactor Analysis
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
Quantum Monte Carlo by message passing
Bonca, J.; Gubernatis, J.E.
1993-01-01
We summarize results of quantum Monte Carlo simulations of the degenerate single-impurity Anderson model using the impurity algorithm of Hirsch and Fye. Using methods of Bayesian statistical inference, coupled with the principle of maximum entropy, we extracted the single-particle spectral density from the imaginary-time Green's function. The variations of resulting spectral densities with model parameters agree qualitatively with the spectral densities predicted by NCA calculations. All the simulations were performed on a cluster of 16 IBM R6000/560 workstations under the control of the message-passing software PVM. We described the trivial parallelization of our quantum Monte Carlo code both for the cluster and the CM-5 computer. Other issues for effective parallelization of the impurity algorithm are also discussed.
Quantum Monte Carlo by message passing
Bonca, J.; Gubernatis, J.E.
1993-05-01
We summarize results of quantum Monte Carlo simulations of the degenerate single-impurity Anderson model using the impurity algorithm of Hirsch and Fye. Using methods of Bayesian statistical inference, coupled with the principle of maximum entropy, we extracted the single-particle spectral density from the imaginary-time Green`s function. The variations of resulting spectral densities with model parameters agree qualitatively with the spectral densities predicted by NCA calculations. All the simulations were performed on a cluster of 16 IBM R6000/560 workstations under the control of the message-passing software PVM. We described the trivial parallelization of our quantum Monte Carlo code both for the cluster and the CM-5 computer. Other issues for effective parallelization of the impurity algorithm are also discussed.
Applications of the Monte Carlo Method
1995-12-31
This report discusses the applications of the Monte Carlo method. The specific topic covered are: radiative heat transfer in absorbing-emitting gas: program RADIAN; radiative heat transfer between surfaces separated by nonparticipating gas: program RADIANW; radiative heat transfer in absorbing-emitting and scattering media; and some industrial applications like boiler furnaces; gas reformer; combustion chambers of jet engines; nongray gas (combustion gas) layer; and circulating fluidized bed boiler furnace.
Carlo Rovelli Aix-Marseille University
U.S. Department of Energy (DOE) all webpages (Extended Search)
possible quantum gravity observation: cosmic rays from Planck stars, or black-to-white hole decay Carlo Rovelli Aix-Marseille University June 22, 2016 4:00 p.m. - Wilson Hall, One West The possibility of observing quantum gravitational phenomena, viewed as remote until not long ago, is increasingly considered to be plausible. Here I focus of a potentially observable phenomenon: black holes are classically stable, but can decay via a quantum gravitational tunneling akin to standard nuclear decay.
Status of Monte-Carlo Event Generators
Hoeche, Stefan; /SLAC
2011-08-11
Recent progress on general-purpose Monte-Carlo event generators is reviewed with emphasis on the simulation of hard QCD processes and subsequent parton cascades. Describing full final states of high-energy particle collisions in contemporary experiments is an intricate task. Hundreds of particles are typically produced, and the reactions involve both large and small momentum transfer. The high-dimensional phase space makes an exact solution of the problem impossible. Instead, one typically resorts to regarding events as factorized into different steps, ordered descending in the mass scales or invariant momentum transfers which are involved. In this picture, a hard interaction, described through fixed-order perturbation theory, is followed by multiple Bremsstrahlung emissions off initial- and final-state and, finally, by the hadronization process, which binds QCD partons into color-neutral hadrons. Each of these steps can be treated independently, which is the basic concept inherent to general-purpose event generators. Their development is nowadays often focused on an improved description of radiative corrections to hard processes through perturbative QCD. In this context, the concept of jets is introduced, which allows to relate sprays of hadronic particles in detectors to the partons in perturbation theory. In this talk, we briefly review recent progress on perturbative QCD in event generation. The main focus lies on the general-purpose Monte-Carlo programs HERWIG, PYTHIA and SHERPA, which will be the workhorses for LHC phenomenology. A detailed description of the physics models included in these generators can be found in [8]. We also discuss matrix-element generators, which provide the parton-level input for general-purpose Monte Carlo.
A Monte Carlo algorithm for degenerate plasmas
Turrell, A.E. Sherlock, M.; Rose, S.J.
2013-09-15
A procedure for performing Monte Carlo calculations of plasmas with an arbitrary level of degeneracy is outlined. It has possible applications in inertial confinement fusion and astrophysics. Degenerate particles are initialised according to the FermiDirac distribution function, and scattering is via a Pauli blocked binary collision approximation. The algorithm is tested against degenerate electronion equilibration, and the degenerate resistivity transport coefficient from unmagnetised first order transport theory. The code is applied to the cold fuel shell and alpha particle equilibration problem of inertial confinement fusion.
Quantitative Monte Carlo-based holmium-166 SPECT reconstruction
Elschot, Mattijs; Smits, Maarten L. J.; Nijsen, Johannes F. W.; Lam, Marnix G. E. H.; Zonnenberg, Bernard A.; Bosch, Maurice A. A. J. van den; Jong, Hugo W. A. M. de; Viergever, Max A.
2013-11-15
Purpose: Quantitative imaging of the radionuclide distribution is of increasing interest for microsphere radioembolization (RE) of liver malignancies, to aid treatment planning and dosimetry. For this purpose, holmium-166 ({sup 166}Ho) microspheres have been developed, which can be visualized with a gamma camera. The objective of this work is to develop and evaluate a new reconstruction method for quantitative {sup 166}Ho SPECT, including Monte Carlo-based modeling of photon contributions from the full energy spectrum.Methods: A fast Monte Carlo (MC) simulator was developed for simulation of {sup 166}Ho projection images and incorporated in a statistical reconstruction algorithm (SPECT-fMC). Photon scatter and attenuation for all photons sampled from the full {sup 166}Ho energy spectrum were modeled during reconstruction by Monte Carlo simulations. The energy- and distance-dependent collimator-detector response was modeled using precalculated convolution kernels. Phantom experiments were performed to quantitatively evaluate image contrast, image noise, count errors, and activity recovery coefficients (ARCs) of SPECT-fMC in comparison with those of an energy window-based method for correction of down-scattered high-energy photons (SPECT-DSW) and a previously presented hybrid method that combines MC simulation of photopeak scatter with energy window-based estimation of down-scattered high-energy contributions (SPECT-ppMC+DSW). Additionally, the impact of SPECT-fMC on whole-body recovered activities (A{sup est}) and estimated radiation absorbed doses was evaluated using clinical SPECT data of six {sup 166}Ho RE patients.Results: At the same noise level, SPECT-fMC images showed substantially higher contrast than SPECT-DSW and SPECT-ppMC+DSW in spheres ≥17 mm in diameter. The count error was reduced from 29% (SPECT-DSW) and 25% (SPECT-ppMC+DSW) to 12% (SPECT-fMC). ARCs in five spherical volumes of 1.96–106.21 ml were improved from 32%–63% (SPECT-DSW) and 50%–80
Overy, Catherine; Blunt, N. S.; Shepherd, James J.; Booth, George H.; Cleland, Deidre; Alavi, Ali
2014-12-28
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.
Quantum Monte Carlo methods for nuclear physics
Carlson, Joseph A.; Gandolfi, Stefano; Pederiva, Francesco; Pieper, Steven C.; Schiavilla, Rocco; Schmidt, K. E,; Wiringa, Robert B.
2014-10-19
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. We review the nuclear interactions and currents, and describe the continuum Quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit, and three-body interactions. We present a variety of results including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. We also describe low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars. A coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.
Quantum Monte Carlo methods for nuclear physics
Carlson, J.; Gandolfi, S.; Pederiva, F.; Pieper, Steven C.; Schiavilla, R.; Schmidt, K. E.; Wiringa, R. B.
2015-09-09
Quantum Monte Carlo methods have proved valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments, and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. The nuclear interactions and currents are reviewed along with a description of the continuum quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit, and three-body interactions. A variety of results are presented, including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. Low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars are also described. Furthermore, a coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.
Quantum Monte Carlo methods for nuclear physics
Carlson, Joseph A.; Gandolfi, Stefano; Pederiva, Francesco; Pieper, Steven C.; Schiavilla, Rocco; Schmidt, K. E,; Wiringa, Robert B.
2014-10-19
Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. We review the nuclear interactions and currents, and describe the continuum Quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit, and three-bodymore » interactions. We present a variety of results including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. We also describe low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars. A coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less
Quantum Monte Carlo methods for nuclear physics
Carlson, J.; Gandolfi, S.; Pederiva, F.; Pieper, Steven C.; Schiavilla, R.; Schmidt, K. E.; Wiringa, R. B.
2015-09-09
Quantum Monte Carlo methods have proved valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying states, moments, and transitions in light nuclei, and simultaneously predict many properties of light nuclei and neutron matter over a rather wide range of energy and momenta. The nuclear interactions and currents are reviewed along with a description of the continuum quantum Monte Carlo methods used in nuclear physics. These methods are similar to those used in condensed matter and electronic structure but naturally include spin-isospin, tensor, spin-orbit,more » and three-body interactions. A variety of results are presented, including the low-lying spectra of light nuclei, nuclear form factors, and transition matrix elements. Low-energy scattering techniques, studies of the electroweak response of nuclei relevant in electron and neutrino scattering, and the properties of dense nucleonic matter as found in neutron stars are also described. Furthermore, a coherent picture of nuclear structure and dynamics emerges based upon rather simple but realistic interactions and currents.« less
THE MCNPX MONTE CARLO RADIATION TRANSPORT CODE
WATERS, LAURIE S.; MCKINNEY, GREGG W.; DURKEE, JOE W.; FENSIN, MICHAEL L.; JAMES, MICHAEL R.; JOHNS, RUSSELL C.; PELOWITZ, DENISE B.
2007-01-10
MCNPX (Monte Carlo N-Particle eXtended) is a general-purpose Monte Carlo radiation transport code with three-dimensional geometry and continuous-energy transport of 34 particles and light ions. It contains flexible source and tally options, interactive graphics, and support for both sequential and multi-processing computer platforms. MCNPX is based on MCNP4B, and has been upgraded to most MCNP5 capabilities. MCNP is a highly stable code tracking neutrons, photons and electrons, and using evaluated nuclear data libraries for low-energy interaction probabilities. MCNPX has extended this base to a comprehensive set of particles and light ions, with heavy ion transport in development. Models have been included to calculate interaction probabilities when libraries are not available. Recent additions focus on the time evolution of residual nuclei decay, allowing calculation of transmutation and delayed particle emission. MCNPX is now a code of great dynamic range, and the excellent neutronics capabilities allow new opportunities to simulate devices of interest to experimental particle physics; particularly calorimetry. This paper describes the capabilities of the current MCNPX version 2.6.C, and also discusses ongoing code development.
Multilevel Monte Carlo simulation of Coulomb collisions
Rosin, M.S.; Ricketson, L.F.; Dimits, A.M.; Caflisch, R.E.; Cohen, B.I.
2014-10-01
We present a new, for plasma physics, highly efficient multilevel Monte Carlo numerical method for simulating Coulomb collisions. The method separates and optimally minimizes the finite-timestep and finite-sampling errors inherent in the Langevin representation of the Landau–Fokker–Planck equation. It does so by combining multiple solutions to the underlying equations with varying numbers of timesteps. For a desired level of accuracy ε, the computational cost of the method is O(ε{sup −2}) or O(ε{sup −2}(lnε){sup 2}), depending on the underlying discretization, Milstein or Euler–Maruyama respectively. This is to be contrasted with a cost of O(ε{sup −3}) for direct simulation Monte Carlo or binary collision methods. We successfully demonstrate the method with a classic beam diffusion test case in 2D, making use of the Lévy area approximation for the correlated Milstein cross terms, and generating a computational saving of a factor of 100 for ε=10{sup −5}. We discuss the importance of the method for problems in which collisions constitute the computational rate limiting step, and its limitations.
Four decades of implicit Monte Carlo
Wollaber, Allan B.
2016-04-25
In 1971, Fleck and Cummings derived a system of equations to enable robust Monte Carlo simulations of time-dependent, thermal radiative transfer problems. Denoted the “Implicit Monte Carlo” (IMC) equations, their solution remains the de facto standard of high-fidelity radiative transfer simulations. Over the course of 44 years, their numerical properties have become better understood, and accuracy enhancements, novel acceleration methods, and variance reduction techniques have been suggested. In this review, we rederive the IMC equations—explicitly highlighting assumptions as they are made—and outfit the equations with a Monte Carlo interpretation. We put the IMC equations in context with other approximate formsmore » of the radiative transfer equations and present a new demonstration of their equivalence to another well-used linearization solved with deterministic transport methods for frequency-independent problems. We discuss physical and numerical limitations of the IMC equations for asymptotically small time steps, stability characteristics and the potential of maximum principle violations for large time steps, and solution behaviors in an asymptotically thick diffusive limit. We provide a new stability analysis for opacities with general monomial dependence on temperature. Here, we consider spatial accuracy limitations of the IMC equations and discussion acceleration and variance reduction techniques.« less
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Energy Companies in San Carlos, California Cleeves Engines, Inc. LiveFuels Inc Tesla Motors Tesla Motors Inc References US Census Bureau Incorporated place and minor...
Fullrmc, A Rigid Body Reverse Monte Carlo Modeling Package Enabled...
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Fullrmc, A Rigid Body Reverse Monte Carlo Modeling Package Enabled With Machine Learning And Artificial Intelligence Liquid Sulfur. Sx8 molecules recognized and built upon ...
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Learn about the ways these methods are used in DOE's research endeavors today in "Monte Carlo Methods" by Dr. William Watson, Physicist, OSTI staff. Image credit: Sandia National ...
Evaluation of Monte Carlo Electron-Transport Algorithms in the...
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Series Codes for Stochastic-Media Simulations. Citation Details In-Document Search Title: Evaluation of Monte Carlo Electron-Transport Algorithms in the Integrated Tiger Series ...
Cluster expansion modeling and Monte Carlo simulation of alnico...
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Accepted Manuscript: Cluster expansion modeling and Monte Carlo simulation of alnico 5-7 permanent magnets This content will become publicly available on March 5, 2016 Prev Next...
In the OSTI Collections: Monte Carlo Methods | OSTI, US Dept...
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Early on, Monte Carlo methods were used to figure out processes involving nuclear ... shows that understanding nuclear-reactor processes is still one of their major uses. ...
Optimal sampling efficiency in Monte Carlo sampling with an approximat...
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Journal Article: Optimal sampling efficiency in Monte Carlo sampling with an approximate potential Citation Details In-Document Search Title: Optimal sampling efficiency in Monte ...
Quantum Monte Carlo Calculations of Light Nuclei Using Chiral...
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Title: Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials Authors: Lynn, J. E. ; Carlson, J. ; Epelbaum, E. ; Gandolfi, S. ; Gezerlis, A. ; Schwenk, A. ...
Molecular Monte Carlo Simulations Using Graphics Processing Units...
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allocation of the GPU hardware resources. We make comparisons between the GPU and the serial CPU Monte Carlo implementations to assess speedup over conventional microprocessors....
HILO: Quasi Diffusion Accelerated Monte Carlo on Hybrid Architectures
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fidelity simulation of a diverse range of kinetic systems. Available for thumbnail of Feynman Center (505) 665-9090 Email HILO: Quasi Diffusion Accelerated Monte Carlo on Hybrid...
Dupuis, Paul
2014-03-14
This proposal is concerned with applications of Monte Carlo to problems in physics and chemistry where rare events degrade the performance of standard Monte Carlo. One class of problems is concerned with computation of various aspects of the equilibrium behavior of some Markov process via time averages. The problem to be overcome is that rare events interfere with the efficient sampling of all relevant parts of phase space. A second class concerns sampling transitions between two or more stable attractors. Here, rare events do not interfere with the sampling of all relevant parts of phase space, but make Monte Carlo inefficient because of the very large number of samples required to obtain variance comparable to the quantity estimated. The project uses large deviation methods for the mathematical analyses of various Monte Carlo techniques, and in particular for algorithmic analysis and design. This is done in the context of relevant application areas, mainly from chemistry and biology.
Reduced Variance for Material Sources in Implicit Monte Carlo
Urbatsch, Todd J.
2012-06-25
Implicit Monte Carlo (IMC), a time-implicit method due to Fleck and Cummings, is used for simulating supernovae and inertial confinement fusion (ICF) systems where x-rays tightly and nonlinearly interact with hot material. The IMC algorithm represents absorption and emission within a timestep as an effective scatter. Similarly, the IMC time-implicitness splits off a portion of a material source directly into the radiation field. We have found that some of our variance reduction and particle management schemes will allow large variances in the presence of small, but important, material sources, as in the case of ICF hot electron preheat sources. We propose a modification of our implementation of the IMC method in the Jayenne IMC Project. Instead of battling the sampling issues associated with a small source, we bypass the IMC implicitness altogether and simply deterministically update the material state with the material source if the temperature of the spatial cell is below a user-specified cutoff. We describe the modified method and present results on a test problem that show the elimination of variance for small sources.
Exploring theory space with Monte Carlo reweighting
Gainer, James S.; Lykken, Joseph; Matchev, Konstantin T.; Mrenna, Stephen; Park, Myeonghun
2014-10-13
Theories of new physics often involve a large number of unknown parameters which need to be scanned. Additionally, a putative signal in a particular channel may be due to a variety of distinct models of new physics. This makes experimental attempts to constrain the parameter space of motivated new physics models with a high degree of generality quite challenging. We describe how the reweighting of events may allow this challenge to be met, as fully simulated Monte Carlo samples generated for arbitrary benchmark models can be effectively re-used. Specifically, we suggest procedures that allow more efficient collaboration between theorists and experimentalists in exploring large theory parameter spaces in a rigorous way at the LHC.
Exploring theory space with Monte Carlo reweighting
Gainer, James S.; Lykken, Joseph; Matchev, Konstantin T.; Mrenna, Stephen; Park, Myeonghun
2014-10-13
Theories of new physics often involve a large number of unknown parameters which need to be scanned. Additionally, a putative signal in a particular channel may be due to a variety of distinct models of new physics. This makes experimental attempts to constrain the parameter space of motivated new physics models with a high degree of generality quite challenging. We describe how the reweighting of events may allow this challenge to be met, as fully simulated Monte Carlo samples generated for arbitrary benchmark models can be effectively re-used. Specifically, we suggest procedures that allow more efficient collaboration between theorists andmore » experimentalists in exploring large theory parameter spaces in a rigorous way at the LHC.« less
Exploring theory space with Monte Carlo reweighting
Gainer, James S.; Lykken, Joseph; Matchev, Konstantin T.; Mrenna, Stephen; Park, Myeonghun
2014-10-13
Theories of new physics often involve a large number of unknown parameters which need to be scanned. Additionally, a putative signal in a particular channel may be due to a variety of distinct models of new physics. This makes experimental attempts to constrain the parameter space of motivated new physics models with a high degree of generality quite challenging. We describe how the reweighting of events may allow this challenge to be met, as fully simulated Monte Carlo samples generated for arbitrary benchmark models can be effectively re-used. In particular, we suggest procedures that allow more efficient collaboration between theoristsmoreand experimentalists in exploring large theory parameter spaces in a rigorous way at the LHC.less
Adjoint electron-photon transport Monte Carlo calculations with ITS
Lorence, L.J.; Kensek, R.P.; Halbleib, J.A.; Morel, J.E.
1995-02-01
A general adjoint coupled electron-photon Monte Carlo code for solving the Boltzmann-Fokker-Planck equation has recently been created. It is a modified version of ITS 3.0, a coupled electronphoton Monte Carlo code that has world-wide distribution. The applicability of the new code to radiation-interaction problems of the type found in space environments is demonstrated.
Recent advances and future prospects for Monte Carlo
Brown, Forrest B
2010-01-01
The history of Monte Carlo methods is closely linked to that of computers: The first known Monte Carlo program was written in 1947 for the ENIAC; a pre-release of the first Fortran compiler was used for Monte Carlo In 1957; Monte Carlo codes were adapted to vector computers in the 1980s, clusters and parallel computers in the 1990s, and teraflop systems in the 2000s. Recent advances include hierarchical parallelism, combining threaded calculations on multicore processors with message-passing among different nodes. With the advances In computmg, Monte Carlo codes have evolved with new capabilities and new ways of use. Production codes such as MCNP, MVP, MONK, TRIPOLI and SCALE are now 20-30 years old (or more) and are very rich in advanced featUres. The former 'method of last resort' has now become the first choice for many applications. Calculations are now routinely performed on office computers, not just on supercomputers. Current research and development efforts are investigating the use of Monte Carlo methods on FPGAs. GPUs, and many-core processors. Other far-reaching research is exploring ways to adapt Monte Carlo methods to future exaflop systems that may have 1M or more concurrent computational processes.
Monte Carlo Implementation Of Up- Or Down-Scattering Due To Collisions...
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Monte Carlo Implementation Of Up- Or Down-Scattering Due To Collisions With Material At Finite Temperature Citation Details In-Document Search Title: Monte Carlo Implementation Of ...
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DOE Projects MicroBooNE Project Web Pages The Project Pages hold information and links for the collaboration and its Project Managers, and also hold links to project Director's and ...
VWA-0021- In the Matter of Carlos M. Castillo
This Decision involves a complaint filed by Carlos M. Castillo (Castillo or “the complainant”) under the Department of Energy (DOE) Contractor Employee Protection Program, 10 C.F.R. Part 708....
Monte Carlo Hauser-Feshbach Calculations of Prompt Fission Neutrons...
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Technical Report: Monte Carlo Hauser-Feshbach Calculations of Prompt Fission Neutrons and Gamma Rays: Application to Thermal Neutron-Induced Fission Reactions on U-235 and Pu-239 ...
Generalizing the self-healing diffusion Monte Carlo approach...
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Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases Citation Details In-Document Search ...
Efficient Monte Carlo Simulations of Gas Molecules Inside Porous...
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Efficient Monte Carlo Simulations of Gas Molecules Inside Porous Materials Previous Next List J. Kim and B. Smit, J. Chem. Theory Comput. 8 (7), 2336 (2012) DOI: 10.1021ct3003699 ...
Monte Carlo Hybrid Applied to Binary Stochastic Mixtures
Energy Science and Technology Software Center (OSTI)
2008-08-11
The purpose of this set of codes isto use an inexpensive, approximate deterministic flux distribution to generate weight windows, wihich will then be used to bound particle weights for the Monte Carlo code run. The process is not automated; the user must run the deterministic code and use the output file as a command-line argument for the Monte Carlo code. Two sets of text input files are included as test problems/templates.
Multiscale MonteCarlo equilibration: Pure Yang-Mills theory
Endres, Michael G.; Brower, Richard C.; Orginos, Kostas; Detmold, William; Pochinsky, Andrew V.
2015-12-29
In this study, we present a multiscale thermalization algorithm for lattice gauge theory, which enables efficient parallel generation of uncorrelated gauge field configurations. The algorithm combines standard Monte Carlo techniques with ideas drawn from real space renormalization group and multigrid methods. We demonstrate the viability of the algorithm for pure Yang-Mills gauge theory for both heat bath and hybrid Monte Carlo evolution, and show that it ameliorates the problem of topological freezing up to controllable lattice spacing artifacts.
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Tsvetkov, Pavel V.; Ames II, David E.; Alajo, Ayodeji B.; Pritchard, Megan L.
2006-07-01
Partitioning and transmutation of minor actinides are expected to have a positive impact on the future of nuclear technology. Their deployment would lead to incineration of hazardous nuclides and could potentially provide additional fuel supply. The U.S. DOE NERI Project assesses the possibility, advantages and limitations of involving minor actinides as a fuel component. The analysis takes into consideration and compares capabilities of actinide-fueled VHTRs with pebble-bed and prismatic cores to approach a reactor lifetime long operation without intermediate refueling. A hybrid Monte Carlo-deterministic methodology has been adopted for coupled neutronics-thermal hydraulics design studies of VHTRs. Within the computational scheme, the key technical issues are being addressed and resolved by implementing efficient automated modeling procedures and sequences, combining Monte Carlo and deterministic approaches, developing and applying realistic 3D coupled neutronics-thermal-hydraulics models with multi-heterogeneity treatments, developing and performing experimental/computational benchmarks for model verification and validation, analyzing uncertainty effects and error propagation. This paper introduces the suggested modeling approach, discusses benchmark results and the preliminary analysis of actinide-fueled VHTRs. The presented up-to-date results are in agreement with the available experimental data. Studies of VHTRs with minor actinides suggest promising performance. (authors)
Monte Carlo event generators for hadron-hadron collisions
Knowles, I.G.; Protopopescu, S.D.
1993-06-01
A brief review of Monte Carlo event generators for simulating hadron-hadron collisions is presented. Particular emphasis is placed on comparisons of the approaches used to describe physics elements and identifying their relative merits and weaknesses. This review summarizes a more detailed report.
Monte Carlo capabilities of the SCALE code system
Rearden, Bradley T.; Petrie, Jr., Lester M.; Peplow, Douglas E.; Bekar, Kursat B.; Wiarda, Dorothea; Celik, Cihangir; Perfetti, Christopher M.; Ibrahim, Ahmad M.; Hart, S. W. D.; Dunn, Michael E.; et al
2014-09-12
SCALE is a broadly used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, licensees, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a “plug-and-play” framework that includes three deterministic and three Monte Carlo radiation transport solvers that can be selected based on the desired solution, including hybrid deterministic/Monte Carlo simulations. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport asmore » well as activation, depletion, and decay calculations. SCALE’s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 will provide several new capabilities and significant improvements in many existing features, especially with expanded continuous-energy Monte Carlo capabilities for criticality safety, shielding, depletion, and sensitivity and uncertainty analysis. Finally, an overview of the Monte Carlo capabilities of SCALE is provided here, with emphasis on new features for SCALE 6.2.« less
Monte Carlo capabilities of the SCALE code system
Rearden, Bradley T.; Petrie, Jr., Lester M.; Peplow, Douglas E.; Bekar, Kursat B.; Wiarda, Dorothea; Celik, Cihangir; Perfetti, Christopher M.; Ibrahim, Ahmad M.; Hart, S. W. D.; Dunn, Michael E.; Marshall, William J.
2014-09-12
SCALE is a broadly used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, licensees, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a “plug-and-play” framework that includes three deterministic and three Monte Carlo radiation transport solvers that can be selected based on the desired solution, including hybrid deterministic/Monte Carlo simulations. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE’s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 will provide several new capabilities and significant improvements in many existing features, especially with expanded continuous-energy Monte Carlo capabilities for criticality safety, shielding, depletion, and sensitivity and uncertainty analysis. Finally, an overview of the Monte Carlo capabilities of SCALE is provided here, with emphasis on new features for SCALE 6.2.
Bayesian Monte Carlo Method for Nuclear Data Evaluation
Koning, A.J.
2015-01-15
A Bayesian Monte Carlo method is outlined which allows a systematic evaluation of nuclear reactions using TALYS. The result will be either an EXFOR-weighted covariance matrix or a collection of random files, each accompanied by an experiment based weight.
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LaboratoryNational Security Education Center Menu NSEC Educational Programs Los Alamos Dynamics Summer School Science of Signatures Advanced Studies Institute Judicial Science School SHM Data Sets and Software Research Projects Current Projects Past Projects Publications NSEC » Engineering Institute » Research Projects » Joint Los Alamos National Laboratory/UCSD research projects Past Research Projects Previous collaborations between Los Alamos National Laboratory and the University of
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Current Research Projects Joint Los Alamos National LaboratoryUCSD Research Projects Collaborations between Los Alamos National Laboratory and the University of California at San...
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evaluate a Federal Energy Efficiency Project across three broad risk categories: - Contract Risk - Project Risk - Participant Risk * Ultimately, pricing and terms are set by ...
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Project Gnome Double Beta Decay Dark Matter Biology Repository Science Renewable Energy The first underground physics experiment near Carlsbad was Project Gnome, December 10, 1961 ...
Monte-Carlo simulation of noise in hard X-ray Transmission Crystal...
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Monte-Carlo simulation of noise in hard X-ray Transmission Crystal Spectrometers: ... Title: Monte-Carlo simulation of noise in hard X-ray Transmission Crystal Spectrometers: ...
Directives, Delegations, and Requirements [Office of Management (MA)]
1997-03-28
Project controls are systems used to plan, schedule, budget, and measure the performance of a project/program. The cost estimation package is one of the documents that is used to establish the baseline for project controls. This chapter gives a brief description of project controls and the role the cost estimation package plays.
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Project Information Slider award map The REE Program funds projects focused on developing economically feasible and environmentally benign technologies for recovering REEs from coal and/or coal by-products. Project Information The listed projects represent the current REE program portfolio. Agreement Number Project Title Performer Name FWP-RIC REE FY2016-2020 Rare Earth Elements (REE) from Coal and Coal By-Products National Energy Technology Laboratory FE0027167 High Yield and Economical
Calculations of pair production by Monte Carlo methods
Bottcher, C.; Strayer, M.R.
1991-01-01
We describe some of the technical design issues associated with the production of particle-antiparticle pairs in very large accelerators. To answer these questions requires extensive calculation of Feynman diagrams, in effect multi-dimensional integrals, which we evaluate by Monte Carlo methods on a variety of supercomputers. We present some portable algorithms for generating random numbers on vector and parallel architecture machines. 12 refs., 14 figs.
Monte Carlo calculations for r-process nucleosynthesis
Mumpower, Matthew Ryan
2015-11-12
A Monte Carlo framework is developed for exploring the impact of nuclear model uncertainties on the formation of the heavy elements. Mass measurements tightly constrain the macroscopic sector of FRDM2012. For r-process nucleosynthesis, it is necessary to understand the microscopic physics of the nuclear model employed. A combined approach of measurements and a deeper understanding of the microphysics is thus warranted to elucidate the site of the r-process.
Solar Feasibility Study May 2013 - San Carlos Apache Tribe
Rapp, Jim; Duncan, Ken; Albert, Steve
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.
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Grand Coulee Transmission Line Replacement Project Hooper Springs McNary-John Day Montana-to-Washington Transmission System Upgrade Project - M2W Olympia-Grand Coulee No. 1...
Benefits of the Guidelines for Home Energy Professionals project including reducing energy upgrade costs for consumers, employers, and program administrators.
This report covers the Wind and Water Power Technologies Office's hydropower project funding from fiscal years 2008 to 2014.
Integrated Cost and Schedule using Monte Carlo Simulation of a CPM Model - 12419
Hulett, David T.; Nosbisch, Michael R.
2012-07-01
. - Good-quality risk data that are usually collected in risk interviews of the project team, management and others knowledgeable in the risk of the project. The risks from the risk register are used as the basis of the risk data in the risk driver method. The risk driver method is based in the fundamental principle that identifiable risks drive overall cost and schedule risk. - A Monte Carlo simulation software program that can simulate schedule risk, burn WM2012 rate risk and time-independent resource risk. The results include the standard histograms and cumulative distributions of possible cost and time results for the project. However, by simulating both cost and time simultaneously we can collect the cost-time pairs of results and hence show the scatter diagram ('football chart') that indicates the joint probability of finishing on time and on budget. Also, we can derive the probabilistic cash flow for comparison with the time-phased project budget. Finally the risks to schedule completion and to cost can be prioritized, say at the P-80 level of confidence, to help focus the risk mitigation efforts. If the cost and schedule estimates including contingency reserves are not acceptable to the project stakeholders the project team should conduct risk mitigation workshops and studies, deciding which risk mitigation actions to take, and re-run the Monte Carlo simulation to determine the possible improvement to the project's objectives. Finally, it is recommended that the contingency reserves of cost and of time, calculated at a level that represents an acceptable degree of certainty and uncertainty for the project stakeholders, be added as a resource-loaded activity to the project schedule for strategic planning purposes. The risk analysis described in this paper is correct only for the current plan, represented by the schedule. The project contingency reserve of time and cost that are the main results of this analysis apply if that plan is to be followed. Of course project
Properties of reactive oxygen species by quantum Monte Carlo
Zen, Andrea; Trout, Bernhardt L.; Guidoni, Leonardo
2014-07-07
The electronic properties of the oxygen molecule, in its singlet and triplet states, and of many small oxygen-containing radicals and anions have important roles in different fields of chemistry, biology, and atmospheric science. Nevertheless, the electronic structure of such species is a challenge for ab initio computational approaches because of the difficulties to correctly describe the statical and dynamical correlation effects in presence of one or more unpaired electrons. Only the highest-level quantum chemical approaches can yield reliable characterizations of their molecular properties, such as binding energies, equilibrium structures, molecular vibrations, charge distribution, and polarizabilities. In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. In particular, we have studied the oxygen molecule, the superoxide anion, the nitric oxide radical and anion, the hydroxyl and hydroperoxyl radicals and their corresponding anions, and the hydrotrioxyl radical. Overall, the methodology was able to correctly describe the geometrical and electronic properties of these systems, through compact but fully-optimised basis sets and with a computational cost which scales as N{sup 3} ? N{sup 4}, where N is the number of electrons. This work is therefore opening the way to the accurate study of the energetics and of the reactivity of large and complex oxygen species by first principles.
Coupled Monte Carlo neutronics and thermal hydraulics for power reactors
Bernnat, W.; Buck, M.; Mattes, M.; Zwermann, W.; Pasichnyk, I.; Velkov, K.
2012-07-01
The availability of high performance computing resources enables more and more the use of detailed Monte Carlo models even for full core power reactors. The detailed structure of the core can be described by lattices, modeled by so-called repeated structures e.g. in Monte Carlo codes such as MCNP5 or MCNPX. For cores with mainly uniform material compositions, fuel and moderator temperatures, there is no problem in constructing core models. However, when the material composition and the temperatures vary strongly a huge number of different material cells must be described which complicate the input and in many cases exceed code or memory limits. The second problem arises with the preparation of corresponding temperature dependent cross sections and thermal scattering laws. Only if these problems can be solved, a realistic coupling of Monte Carlo neutronics with an appropriate thermal-hydraulics model is possible. In this paper a method for the treatment of detailed material and temperature distributions in MCNP5 is described based on user-specified internal functions which assign distinct elements of the core cells to material specifications (e.g. water density) and temperatures from a thermal-hydraulics code. The core grid itself can be described with a uniform material specification. The temperature dependency of cross sections and thermal neutron scattering laws is taken into account by interpolation, requiring only a limited number of data sets generated for different temperatures. Applications will be shown for the stationary part of the Purdue PWR benchmark using ATHLET for thermal- hydraulics and for a generic Modular High Temperature reactor using THERMIX for thermal- hydraulics. (authors)
Bounded limit for the Monte Carlo point-flux-estimator
Grimesey, R.A.
1981-01-01
In a Monte Carlo random walk the kernel K(R,E) is used as an expected value estimator at every collision for the collided flux phi/sub c/ r vector,E) at the detector point. A limiting value for the kernel is derived from a diffusion approximation for the probability current at a radius R/sub 1/ from the detector point. The variance of the collided flux at the detector point is thus bounded using this asymptotic form for K(R,E). The bounded point flux estimator is derived. (WHK)
Adaptively Learning an Importance Function Using Transport Constrained Monte Carlo
Booth, T.E.
1998-06-22
It is well known that a Monte Carlo estimate can be obtained with zero-variance if an exact importance function for the estimate is known. There are many ways that one might iteratively seek to obtain an ever more exact importance function. This paper describes a method that has obtained ever more exact importance functions that empirically produce an error that is dropping exponentially with computer time. The method described herein constrains the importance function to satisfy the (adjoint) Boltzmann transport equation. This constraint is provided by using the known form of the solution, usually referred to as the Case eigenfunction solution.
Optimization of Gutzwiller wave functions in quantum Monte Carlo
Koch, E.; Gunnarsson, O.; Martin, R.M.
1999-06-01
Gutzwiller functions are popular variational wave functions for correlated electrons in Hubbard models. Following the variational principle, we are interested in the Gutzwiller parameters that minimize, e.g., the expectation value of the energy. Rewriting the expectation value as a rational function in the Gutzwiller parameters, we find a very efficient way for performing that minimization. The method can be used to optimize general Gutzwiller-type wave functions both in variational and in fixed-node diffusion Monte Carlo. {copyright} {ital 1999} {ital The American Physical Society}
Quantum Monte Carlo Simulation of Overpressurized Liquid {sup 4}He
Vranjes, L.; Boronat, J.; Casulleras, J.; Cazorla, C.
2005-09-30
A diffusion Monte Carlo simulation of superfluid {sup 4}He at zero temperature and pressures up to 275 bar is presented. Increasing the pressure beyond freezing ({approx}25 bar), the liquid enters the overpressurized phase in a metastable state. In this regime, we report results of the equation of state and the pressure dependence of the static structure factor, the condensate fraction, and the excited-state energy corresponding to the roton. Along this large pressure range, both the condensate fraction and the roton energy decrease but do not become zero. The roton energies obtained are compared with recent experimental data in the overpressurized regime.
Element Agglomeration Algebraic Multilevel Monte-Carlo Library
Energy Science and Technology Software Center (OSTI)
2015-02-19
ElagMC is a parallel C++ library for Multilevel Monte Carlo simulations with algebraically constructed coarse spaces. ElagMC enables Multilevel variance reduction techniques in the context of general unstructured meshes by using the specialized element-based agglomeration techniques implemented in ELAG (the Element-Agglomeration Algebraic Multigrid and Upscaling Library developed by U. Villa and P. Vassilevski and currently under review for public release). The ElabMC library can support different type of deterministic problems, including mixed finite element discretizationsmore » of subsurface flow problems.« less
A Post-Monte-Carlo Sensitivity Analysis Code
Energy Science and Technology Software Center (OSTI)
2000-04-04
SATOOL (Sensitivity Analysis TOOL) is a code for sensitivity analysis, following an uncertainity analysis with Monte Carlo simulations. Sensitivity analysis identifies those input variables, whose variance contributes dominatly to the variance in the output. This analysis can be used to reduce the variance in the output variables by redefining the "sensitive" variables with greater precision, i.e. with lower variance. The code identifies a group of sensitive variables, ranks them in the order of importance andmore » also quantifies the relative importance among the sensitive variables.« less
Communication: Water on hexagonal boron nitride from diffusion Monte Carlo
Al-Hamdani, Yasmine S.; Ma, Ming; Michaelides, Angelos; Alf, Dario; Lilienfeld, O. Anatole von
2015-05-14
Despite a recent flurry of experimental and simulation studies, an accurate estimate of the interaction strength of water molecules with hexagonal boron nitride is lacking. Here, we report quantum Monte Carlo results for the adsorption of a water monomer on a periodic hexagonal boron nitride sheet, which yield a water monomer interaction energy of ?84 5 meV. We use the results to evaluate the performance of several widely used density functional theory (DFT) exchange correlation functionals and find that they all deviate substantially. Differences in interaction energies between different adsorption sites are however better reproduced by DFT.
Cluster Monte Carlo simulations of the nematic-isotropic transition
Priezjev, N. V.; Pelcovits, Robert A.
2001-06-01
We report the results of simulations of the three-dimensional Lebwohl-Lasher model of the nematic-isotropic transition using a single cluster Monte Carlo algorithm. The algorithm, first introduced by Kunz and Zumbach to study two-dimensional nematics, is a modification of the Wolff algorithm for spin systems, and greatly reduces critical slowing down. We calculate the free energy in the neighborhood of the transition for systems up to linear size 70. We find a double well structure with a barrier that grows with increasing system size. We thus obtain an upper estimate of the value of the transition temperature in the thermodynamic limit.
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Project Tour Project Tour See NMSSUP from the ground NMSSUP Phase II Construction Project Tour Transportation Transportation to the tour will be provided from Hilton Santa Fe Buffalo Thunder to Los Alamos National Laboratory, Technical Area 55. After the tour, transportation will be provided back to Hilton Santa Fe Buffalo Thunder. What to wear Wear comfortable pants and leather shoes (flat, comfortable, closed-toe; no tennis shoes or high heels). Schedule There will be a one-hour, no-host lunch
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PROJECT INFORMATION DOE award number: DE EE0000621 Name of recipient: San Francisco Public Utilities Commission Project title: San Francisco Biofuel Program Name of project: Brown Grease to Biodiesel Demonstration Director/principal investigator: Domenec Jolis Consortium/teaming members: Environmental Protection Agency (EPA) California Energy Commission (CEC) URS Corporation EXECUTIVE SUMMARY Municipal wastewater treatment facilities have typically been limited to the role of accepting
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structure whose behavior is fundamentally nonlinear. Thus, the students assigned to this project will develop control techniques that will allow an electrodynamic shake table to...
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Energy Management Small Industrial Lighting Compressed Air ESUE Motors Federal Agriculture Custom Projects No two industrial customers are alike; each has its own unique...
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DOE has published its Record of Decision announcing and explaining DOE’s chosen project alternative and describing any commitments for mitigating potential environmental impacts. The NEPA process...
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Integrating renewable energy into Federal new construction or major renovations requires effective structuring of the construction team and project schedule. This overview discusses key construction team considerations for renewable energy as well as timing and expectations for the construction phase. The project construction phase begins after a project is completely designed and the construction documents (100%) have been issued. Construction team skills and experience with renewable energy technologies are crucial during construction, as is how the integration of renewable energy affects the project construction schedule.
Application of Monte Carlo Methods in Molecular Targeted Radionuclide Therapy
Hartmann Siantar, C; Descalle, M-A; DeNardo, G L; Nigg, D W
2002-02-19
Targeted radionuclide therapy promises to expand the role of radiation beyond the treatment of localized tumors. This novel form of therapy targets metastatic cancers by combining radioactive isotopes with tumor-seeking molecules such as monoclonal antibodies and custom-designed synthetic agents. Ultimately, like conventional radiotherapy, the effectiveness of targeted radionuclide therapy is limited by the maximum dose that can be given to a critical, normal tissue, such as bone marrow, kidneys, and lungs. Because radionuclide therapy relies on biological delivery of radiation, its optimization and characterization are necessarily different than for conventional radiation therapy. We have initiated the development of a new, Monte Carlo transport-based treatment planning system for molecular targeted radiation therapy as part of the MINERVA treatment planning system. This system calculates patient-specific radiation dose estimates using a set of computed tomography scans to describe the 3D patient anatomy, combined with 2D (planar image) and 3D (SPECT, or single photon emission computed tomography) to describe the time-dependent radiation source. The accuracy of such a dose calculation is limited primarily by the accuracy of the initial radiation source distribution, overlaid on the patient's anatomy. This presentation provides an overview of MINERVA functionality for molecular targeted radiation therapy, and describes early validation and implementation results of Monte Carlo simulations.
OSTIblog Articles in the Monte Carlo Topic | OSTI, US Dept of Energy Office
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of Scientific and Technical Information Monte Carlo Topic The Unbelievable Accuracy of the Monte Carlo Method by Kathy Chambers 18 Jan, 2013 in Science Communications 4680 Monte%20Carlo.jpg The Unbelievable Accuracy of the Monte Carlo Method Read more about 4680 The year was 1945, the year I was born. That in itself is of great significance to me. However, it was a momentous year in history. World War II came to its merciful end and the development of the first electronic computer - the
Monte Carlo Bayesian search for the plausible source of the Telescope...
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Title: Monte Carlo Bayesian search for the plausible source of the Telescope Array hotspot Authors: He, Hao-Ning ; Kusenko, Alexander ; Nagataki, Shigehiro ; Zhang, Bin-Bin ; Yang, ...
Monte Carlo Fundamentals E B. BROWN and T M. S N
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or reflect those of the United States Government or any ... Monte Carlo approach: Generate a sequence of states, (pol ... partide from birth to death During the particle ...
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Hybrid Deterministic/Monte Carlo Solutions to the Neutron Transport k-Eigenvalue Problem with a Comparison to Pure Monte Carlo Solutions Jeffrey A. Willert Los Alamos National Laboratory September 16, 2013 Joint work with: Dana Knoll (LANL), Ryosuke Park (LANL), and C. T. Kelley (NCSU) Jeffrey A. Willert Hybrid k-Eigenvalue Methods September 16, 2013 1 / 25 CASL-U-2013-0309-000 1 Introduction 2 Nonlinear Diffusion Acceleration for k-Eigenvalue Problems 3 Hybrid Methods 4 Classic Monte Carlo
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projects Awarded projects 2016 Allocation Awards This page lists the allocation awards for NERSC for the 2016 allocation year (Jan 12, 2016 through Jan 09, 2017). Read More » Previous Year Awards Last edited: 2016-04-29 11:35:1
Brachytherapy structural shielding calculations using Monte Carlo generated, monoenergetic data
Zourari, K.; Peppa, V.; Papagiannis, P.; Ballester, Facundo; Siebert, Frank-Andr
2014-04-15
Purpose: To provide a method for calculating the transmission of any broad photon beam with a known energy spectrum in the range of 201090 keV, through concrete and lead, based on the superposition of corresponding monoenergetic data obtained from Monte Carlo simulation. Methods: MCNP5 was used to calculate broad photon beam transmission data through varying thickness of lead and concrete, for monoenergetic point sources of energy in the range pertinent to brachytherapy (201090 keV, in 10 keV intervals). The three parameter empirical model introduced byArcher et al. [Diagnostic x-ray shielding design based on an empirical model of photon attenuation, Health Phys. 44, 507517 (1983)] was used to describe the transmission curve for each of the 216 energy-material combinations. These three parameters, and hence the transmission curve, for any polyenergetic spectrum can then be obtained by superposition along the lines of Kharrati et al. [Monte Carlo simulation of x-ray buildup factors of lead and its applications in shielding of diagnostic x-ray facilities, Med. Phys. 34, 13981404 (2007)]. A simple program, incorporating a graphical user interface, was developed to facilitate the superposition of monoenergetic data, the graphical and tabular display of broad photon beam transmission curves, and the calculation of material thickness required for a given transmission from these curves. Results: Polyenergetic broad photon beam transmission curves of this work, calculated from the superposition of monoenergetic data, are compared to corresponding results in the literature. A good agreement is observed with results in the literature obtained from Monte Carlo simulations for the photon spectra emitted from bare point sources of various radionuclides. Differences are observed with corresponding results in the literature for x-ray spectra at various tube potentials, mainly due to the different broad beam conditions or x-ray spectra assumed. Conclusions: The data of
Monte Carlo Simulation Tool Installation and Operation Guide
Aguayo Navarrete, Estanislao; Ankney, Austin S.; Berguson, Timothy J.; Kouzes, Richard T.; Orrell, John L.; Troy, Meredith D.; Wiseman, Clinton G.
2013-09-02
This document provides information on software and procedures for Monte Carlo simulations based on the Geant4 toolkit, the ROOT data analysis software and the CRY cosmic ray library. These tools have been chosen for its application to shield design and activation studies as part of the simulation task for the Majorana Collaboration. This document includes instructions for installation, operation and modification of the simulation code in a high cyber-security computing environment, such as the Pacific Northwest National Laboratory network. It is intended as a living document, and will be periodically updated. It is a starting point for information collection by an experimenter, and is not the definitive source. Users should consult with one of the authors for guidance on how to find the most current information for their needs.
Fuel temperature reactivity coefficient calculation by Monte Carlo perturbation techniques
Shim, H. J.; Kim, C. H.
2013-07-01
We present an efficient method to estimate the fuel temperature reactivity coefficient (FTC) by the Monte Carlo adjoint-weighted correlated sampling method. In this method, a fuel temperature change is regarded as variations of the microscopic cross sections and the temperature in the free gas model which is adopted to correct the asymptotic double differential scattering kernel. The effectiveness of the new method is examined through the continuous energy MC neutronics calculations for PWR pin cell problems. The isotope-wise and reaction-type-wise contributions to the FTCs are investigated for two free gas models - the constant scattering cross section model and the exact model. It is shown that the proposed method can efficiently predict the reactivity change due to the fuel temperature variation. (authors)
Optimized nested Markov chain Monte Carlo sampling: theory
Coe, Joshua D; Shaw, M Sam; Sewell, Thomas D
2009-01-01
Metropolis Monte Carlo sampling of a reference potential is used to build a Markov chain in the isothermal-isobaric ensemble. At the endpoints of the chain, the energy is reevaluated at a different level of approximation (the 'full' energy) and a composite move encompassing all of the intervening steps is accepted on the basis of a modified Metropolis criterion. By manipulating the thermodynamic variables characterizing the reference system we maximize the average acceptance probability of composite moves, lengthening significantly the random walk made between consecutive evaluations of the full energy at a fixed acceptance probability. This provides maximally decorrelated samples of the full potential, thereby lowering the total number required to build ensemble averages of a given variance. The efficiency of the method is illustrated using model potentials appropriate to molecular fluids at high pressure. Implications for ab initio or density functional theory (DFT) treatment are discussed.
Monte Carlo prompt dose calculations for the National Ingition Facility
Latkowski, J.F.; Phillips, T.W.
1997-01-01
During peak operation, the National Ignition Facility (NIF) will conduct as many as 600 experiments per year and attain deuterium- tritium fusion yields as high as 1200 MJ/yr. The radiation effective dose equivalent (EDE) to workers is limited to an average of 03 mSv/yr (30 mrem/yr) in occupied areas of the facility. Laboratory personnel determined located outside the facility will receive EDEs <= 0.5 mSv/yr (<= 50 mrem/yr). The total annual occupational EDE for the facility will be maintained at <= 0.1 person-Sv/yr (<= 10 person- rem/yr). To ensure that prompt EDEs meet these limits, three- dimensional Monte Carlo calculations have been completed.
Quantum Monte Carlo simulation of spin-polarized H
Markic, L. Vranjes; Boronat, J.; Casulleras, J.
2007-02-01
The ground-state properties of spin polarized hydrogen H{down_arrow} are obtained by means of diffusion Monte Carlo calculations. Using the most accurate to date ab initio H{down_arrow}-H{down_arrow} interatomic potential we have studied its gas phase, from the very dilute regime until densities above its freezing point. At very small densities, the equation of state of the gas is very well described in terms of the gas parameter {rho}a{sup 3}, with a the s-wave scattering length. The solid phase has also been studied up to high pressures. The gas-solid phase transition occurs at a pressure of 173 bar, a much higher value than suggested by previous approximate descriptions.
A study of Monte Carlo radiative transfer through fractal clouds
Gautier, C.; Lavallec, D.; O`Hirok, W.; Ricchiazzi, P.
1996-04-01
An understanding of radiation transport (RT) through clouds is fundamental to studies of the earth`s radiation budget and climate dynamics. The transmission through horizontally homogeneous clouds has been studied thoroughly using accurate, discreet ordinates radiative transfer models. However, the applicability of these results to general problems of global radiation budget is limited by the plane parallel assumption and the fact that real clouds fields show variability, both vertically and horizontally, on all size scales. To understand how radiation interacts with realistic clouds, we have used a Monte Carlo radiative transfer model to compute the details of the photon-cloud interaction on synthetic cloud fields. Synthetic cloud fields, generated by a cascade model, reproduce the scaling behavior, as well as the cloud variability observed and estimated from cloud satellite data.
Peelle's pertinent puzzle using the Monte Carlo technique
Kawano, Toshihiko; Talou, Patrick; Burr, Thomas; Pan, Feng
2009-01-01
We try to understand the long-standing problem of the Peelle's Pertinent Puzzle (PPP) using the Monte Carlo technique. We allow the probability density functions to be any kind of form to assume the impact of distribution, and obtain the least-squares solution directly from numerical simulations. We found that the standard least squares method gives the correct answer if a weighting function is properly provided. Results from numerical simulations show that the correct answer of PPP is 1.1 {+-} 0.25 if the common error is multiplicative. The thought-provoking answer of 0.88 is also correct, if the common error is additive, and if the error is proportional to the measured values. The least squares method correctly gives us the most probable case, where the additive component has a negative value. Finally, the standard method fails for PPP due to a distorted (non Gaussian) joint distribution.
Optimization of Monte Carlo transport simulations in stochastic media
Liang, C.; Ji, W.
2012-07-01
This paper presents an accurate and efficient approach to optimize radiation transport simulations in a stochastic medium of high heterogeneity, like the Very High Temperature Gas-cooled Reactor (VHTR) configurations packed with TRISO fuel particles. Based on a fast nearest neighbor search algorithm, a modified fast Random Sequential Addition (RSA) method is first developed to speed up the generation of the stochastic media systems packed with both mono-sized and poly-sized spheres. A fast neutron tracking method is then developed to optimize the next sphere boundary search in the radiation transport procedure. In order to investigate their accuracy and efficiency, the developed sphere packing and neutron tracking methods are implemented into an in-house continuous energy Monte Carlo code to solve an eigenvalue problem in VHTR unit cells. Comparison with the MCNP benchmark calculations for the same problem indicates that the new methods show considerably higher computational efficiency. (authors)
bhlight: General Relativistic Radiation Magnetohydrodynamics with Monte Carlo Transport
Ryan, Benjamin R; Dolence, Joshua C.; Gammie, Charles F.
2015-06-25
We present bhlight, a numerical scheme for solving the equations of general relativistic radiation magnetohydrodynamics using a direct Monte Carlo solution of the frequency-dependent radiative transport equation. bhlight is designed to evolve black hole accretion flows at intermediate accretion rate, in the regime between the classical radiatively efficient disk and the radiatively inefficient accretion flow (RIAF), in which global radiative effects play a sub-dominant but non-negligible role in disk dynamics. We describe the governing equations, numerical method, idiosyncrasies of our implementation, and a suite of test and convergence results. We also describe example applications to radiative Bondi accretion and to a slowly accreting Kerr black hole in axisymmetry.
Improved version of the PHOBOS Glauber Monte Carlo
Loizides, C.; Nagle, J.; Steinberg, P.
2015-09-01
“Glauber” models are used to calculate geometric quantities in the initial state of heavy ion collisions, such as impact parameter, number of participating nucleons and initial eccentricity. Experimental heavy-ion collaborations, in particular at RHIC and LHC, use Glauber Model calculations for various geometric observables for determination of the collision centrality. In this document, we describe the assumptions inherent to the approach, and provide an updated implementation (v2) of the Monte Carlo based Glauber Model calculation, which originally was used by the PHOBOS collaboration. The main improvement w.r.t. the earlier version (v1) (Alver et al. 2008) is the inclusion of Tritium,more » Helium-3, and Uranium, as well as the treatment of deformed nuclei and Glauber–Gribov fluctuations of the proton in p +A collisions. A users’ guide (updated to reflect changes in v2) is provided for running various calculations.« less
Monte-Carlo Continuous Energy Burnup Code System.
Energy Science and Technology Software Center (OSTI)
2007-08-31
Version 00 MCB is a Monte Carlo Continuous Energy Burnup Code for a general-purpose use to calculate a nuclide density time evolution with burnup or decay. It includes eigenvalue calculations of critical and subcritical systems as well as neutron transport calculations in fixed source mode or k-code mode to obtain reaction rates and energy deposition that are necessary for burnup calculations. The MCB-1C patch file and data packages as distributed by the NEADB are verymore » well organized and are being made available through RSICC as received. The RSICC package includes the MCB-1C patch and MCB data libraries. Installation of MCB requires MCNP4C source code and utility programs, which are not included in this MCB distribution. They were provided with the now obsolete CCC-700/MCNP-4C package.« less
MONTE-CARLO BURNUP CALCULATION UNCERTAINTY QUANTIFICATION AND PROPAGATION DETERMINATION
Nichols, T.; Sternat, M.; Charlton, W.
2011-05-08
MONTEBURNS is a Monte-Carlo depletion routine utilizing MCNP and ORIGEN 2.2. Uncertainties exist in the MCNP transport calculation, but this information is not passed to the depletion calculation in ORIGEN or saved. To quantify this transport uncertainty and determine how it propagates between burnup steps, a statistical analysis of a multiple repeated depletion runs is performed. The reactor model chosen is the Oak Ridge Research Reactor (ORR) in a single assembly, infinite lattice configuration. This model was burned for a 25.5 day cycle broken down into three steps. The output isotopics as well as effective multiplication factor (k-effective) were tabulated and histograms were created at each burnup step using the Scott Method to determine the bin width. It was expected that the gram quantities and k-effective histograms would produce normally distributed results since they were produced from a Monte-Carlo routine, but some of results do not. The standard deviation at each burnup step was consistent between fission product isotopes as expected, while the uranium isotopes created some unique results. The variation in the quantity of uranium was small enough that, from the reaction rate MCNP tally, round off error occurred producing a set of repeated results with slight variation. Statistical analyses were performed using the {chi}{sup 2} test against a normal distribution for several isotopes and the k-effective results. While the isotopes failed to reject the null hypothesis of being normally distributed, the {chi}{sup 2} statistic grew through the steps in the k-effective test. The null hypothesis was rejected in the later steps. These results suggest, for a high accuracy solution, MCNP cell material quantities less than 100 grams and greater kcode parameters are needed to minimize uncertainty propagation and minimize round off effects.
Modeling granular phosphor screens by Monte Carlo methods
Liaparinos, Panagiotis F.; Kandarakis, Ioannis S.; Cavouras, Dionisis A.; Delis, Harry B.; Panayiotakis, George S.
2006-12-15
The intrinsic phosphor properties are of significant importance for the performance of phosphor screens used in medical imaging systems. In previous analytical-theoretical and Monte Carlo studies on granular phosphor materials, values of optical properties, and light interaction cross sections were found by fitting to experimental data. These values were then employed for the assessment of phosphor screen imaging performance. However, it was found that, depending on the experimental technique and fitting methodology, the optical parameters of a specific phosphor material varied within a wide range of values, i.e., variations of light scattering with respect to light absorption coefficients were often observed for the same phosphor material. In this study, x-ray and light transport within granular phosphor materials was studied by developing a computational model using Monte Carlo methods. The model was based on the intrinsic physical characteristics of the phosphor. Input values required to feed the model can be easily obtained from tabulated data. The complex refractive index was introduced and microscopic probabilities for light interactions were produced, using Mie scattering theory. Model validation was carried out by comparing model results on x-ray and light parameters (x-ray absorption, statistical fluctuations in the x-ray to light conversion process, number of emitted light photons, output light spatial distribution) with previous published experimental data on Gd{sub 2}O{sub 2}S:Tb phosphor material (Kodak Min-R screen). Results showed the dependence of the modulation transfer function (MTF) on phosphor grain size and material packing density. It was predicted that granular Gd{sub 2}O{sub 2}S:Tb screens of high packing density and small grain size may exhibit considerably better resolution and light emission properties than the conventional Gd{sub 2}O{sub 2}S:Tb screens, under similar conditions (x-ray incident energy, screen thickness)
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William Apel and Frank Roberto at) the Biotechnology Department at the INEEL. Each part of this project is funded under a different contract with the Science Division of the US ...
Overview of French project on thermoelectric waste heat recovery for cars and trucks with focus on cheap, available, efficient, and sustainable TE materials, as well as efficient material integration and production process.
EGS projects span research, development, and demonstration. Unlike traditional hydrothermal systems, EGS capture heat from areas that traditional geothermal energy cannot—where fluid and/or...
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Research Projects » Past Research Projects Composite-to-Steel Joint Integrity Monitoring and Assessment Collaboration between Los Alamos National Laboratory and the University of California at San Diego (UCSD) Jacobs School of Engineering Contact Institute Director Charles Farrar (505) 663-5330 Email UCSD EI Director Michael Todd (858) 534-5951 Professional Staff Assistant Ellie Vigil (505) 667-2818 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email UCSD Faculty and Graduate
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Research Projects Joint Los Alamos National Laboratory/UCSD Research Projects Collaborations between Los Alamos National Laboratory and the University of California at San Diego (UCSD) Jacobs School of Engineering Contact Institute Director Charles Farrar (505) 663-5330 Email UCSD EI Director Michael Todd (858) 534-5951 Professional Staff Assistant Jutta Kayser (505) 663-5649 Email Administrative Assistant Stacy Baker (505) 663-5233 Email "Since 2003, LANL has funded numerous collaborative
Monte Carlo simulation based study of a proposed multileaf collimator for a telecobalt machine
Sahani, G.; Dash Sharma, P. K.; Hussain, S. A.; Dutt Sharma, Sunil; Sharma, D. N.
2013-02-15
Purpose: The objective of the present work was to propose a design of a secondary multileaf collimator (MLC) for a telecobalt machine and optimize its design features through Monte Carlo simulation. Methods: The proposed MLC design consists of 72 leaves (36 leaf pairs) with additional jaws perpendicular to leaf motion having the capability of shaping a maximum square field size of 35 Multiplication-Sign 35 cm{sup 2}. The projected widths at isocenter of each of the central 34 leaf pairs and 2 peripheral leaf pairs are 10 and 5 mm, respectively. The ends of the leaves and the x-jaws were optimized to obtain acceptable values of dosimetric and leakage parameters. Monte Carlo N-Particle code was used for generating beam profiles and depth dose curves and estimating the leakage radiation through the MLC. A water phantom of dimension 50 Multiplication-Sign 50 Multiplication-Sign 40 cm{sup 3} with an array of voxels (4 Multiplication-Sign 0.3 Multiplication-Sign 0.6 cm{sup 3}= 0.72 cm{sup 3}) was used for the study of dosimetric and leakage characteristics of the MLC. Output files generated for beam profiles were exported to the PTW radiation field analyzer software through locally developed software for analysis of beam profiles in order to evaluate radiation field width, beam flatness, symmetry, and beam penumbra. Results: The optimized version of the MLC can define radiation fields of up to 35 Multiplication-Sign 35 cm{sup 2} within the prescribed tolerance values of 2 mm. The flatness and symmetry were found to be well within the acceptable tolerance value of 3%. The penumbra for a 10 Multiplication-Sign 10 cm{sup 2} field size is 10.7 mm which is less than the generally acceptable value of 12 mm for a telecobalt machine. The maximum and average radiation leakage through the MLC were found to be 0.74% and 0.41% which are well below the International Electrotechnical Commission recommended tolerance values of 2% and 0.75%, respectively. The maximum leakage through the
SU-E-T-188: Film Dosimetry Verification of Monte Carlo Generated Electron Treatment Plans
Enright, S; Asprinio, A; Lu, L
2014-06-01
Purpose: The purpose of this study was to compare dose distributions from film measurements to Monte Carlo generated electron treatment plans. Irradiation with electrons offers the advantages of dose uniformity in the target volume and of minimizing the dose to deeper healthy tissue. Using the Monte Carlo algorithm will improve dose accuracy in regions with heterogeneities and irregular surfaces. Methods: Dose distributions from GafChromic{sup } EBT3 films were compared to dose distributions from the Electron Monte Carlo algorithm in the Eclipse{sup } radiotherapy treatment planning system. These measurements were obtained for 6MeV, 9MeV and 12MeV electrons at two depths. All phantoms studied were imported into Eclipse by CT scan. A 1 cm thick solid water template with holes for bonelike and lung-like plugs was used. Different configurations were used with the different plugs inserted into the holes. Configurations with solid-water plugs stacked on top of one another were also used to create an irregular surface. Results: The dose distributions measured from the film agreed with those from the Electron Monte Carlo treatment plan. Accuracy of Electron Monte Carlo algorithm was also compared to that of Pencil Beam. Dose distributions from Monte Carlo had much higher pass rates than distributions from Pencil Beam when compared to the film. The pass rate for Monte Carlo was in the 80%99% range, where the pass rate for Pencil Beam was as low as 10.76%. Conclusion: The dose distribution from Monte Carlo agreed with the measured dose from the film. When compared to the Pencil Beam algorithm, pass rates for Monte Carlo were much higher. Monte Carlo should be used over Pencil Beam for regions with heterogeneities and irregular surfaces.
DOE Project Scorecards DOE project scorecards summarize capital asset project performance compared to the current approved baseline.
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Quantum Monte Carlo for electronic structure: Recent developments and applications
Rodriquez, M. M.S.
1995-04-01
Quantum Monte Carlo (QMC) methods have been found to give excellent results when applied to chemical systems. The main goal of the present work is to use QMC to perform electronic structure calculations. In QMC, a Monte Carlo simulation is used to solve the Schroedinger equation, taking advantage of its analogy to a classical diffusion process with branching. In the present work the author focuses on how to extend the usefulness of QMC to more meaningful molecular systems. This study is aimed at questions concerning polyatomic and large atomic number systems. The accuracy of the solution obtained is determined by the accuracy of the trial wave function`s nodal structure. Efforts in the group have given great emphasis to finding optimized wave functions for the QMC calculations. Little work had been done by systematically looking at a family of systems to see how the best wave functions evolve with system size. In this work the author presents a study of trial wave functions for C, CH, C{sub 2}H and C{sub 2}H{sub 2}. The goal is to study how to build wave functions for larger systems by accumulating knowledge from the wave functions of its fragments as well as gaining some knowledge on the usefulness of multi-reference wave functions. In a MC calculation of a heavy atom, for reasonable time steps most moves for core electrons are rejected. For this reason true equilibration is rarely achieved. A method proposed by Batrouni and Reynolds modifies the way the simulation is performed without altering the final steady-state solution. It introduces an acceleration matrix chosen so that all coordinates (i.e., of core and valence electrons) propagate at comparable speeds. A study of the results obtained using their proposed matrix suggests that it may not be the optimum choice. In this work the author has found that the desired mixing of coordinates between core and valence electrons is not achieved when using this matrix. A bibliography of 175 references is included.
Quantum Monte Carlo Calculations Applied to Magnetic Molecules
Larry Engelhardt
2006-08-09
We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quantum Monte Carlo (QMC) method. We have used some of these systems as models to describe recently synthesized magnetic molecules, and-upon comparing the results of these calculations with experimental data-have obtained accurate estimates for the basic parameters of these models. We have also performed calculations for other systems that are of more general interest, being relevant both for existing experimental data and for future experiments. Utilizing the concept of importance sampling, these calculations can be carried out in an arbitrarily large quantum Hilbert space, while still avoiding any approximations that would introduce systematic errors. The only errors are statistical in nature, and as such, their magnitudes are accurately estimated during the course of a simulation. Frustrated spin systems present a major challenge to the QMC method, nevertheless, in many instances progress can be made. In this chapter, the field of magnetic molecules is introduced, paying particular attention to the characteristics that distinguish magnetic molecules from other systems that are studied in condensed matter physics. We briefly outline the typical path by which we learn about magnetic molecules, which requires a close relationship between experiments and theoretical calculations. The typical experiments are introduced here, while the theoretical methods are discussed in the next chapter. Each of these theoretical methods has a considerable limitation, also described in Chapter 2, which together serve to motivate the present work. As is shown throughout the later chapters, the present QMC method is often able to provide useful information where other methods fail. In Chapter 3, the use of Monte Carlo methods in statistical physics is reviewed, building up the fundamental ideas that are necessary in order to understand the method that has been used in this work. With these
Complete Monte Carlo Simulation of Neutron Scattering Experiments
Drosg, M.
2011-12-13
In the far past, it was not possible to accurately correct for the finite geometry and the finite sample size of a neutron scattering set-up. The limited calculation power of the ancient computers as well as the lack of powerful Monte Carlo codes and the limitation in the data base available then prevented a complete simulation of the actual experiment. Using e.g. the Monte Carlo neutron transport code MCNPX [1], neutron scattering experiments can be simulated almost completely with a high degree of precision using a modern PC, which has a computing power that is ten thousand times that of a super computer of the early 1970s. Thus, (better) corrections can also be obtained easily for previous published data provided that these experiments are sufficiently well documented. Better knowledge of reference data (e.g. atomic mass, relativistic correction, and monitor cross sections) further contributes to data improvement. Elastic neutron scattering experiments from liquid samples of the helium isotopes performed around 1970 at LANL happen to be very well documented. Considering that the cryogenic targets are expensive and complicated, it is certainly worthwhile to improve these data by correcting them using this comparatively straightforward method. As two thirds of all differential scattering cross section data of {sup 3}He(n,n){sup 3}He are connected to the LANL data, it became necessary to correct the dependent data measured in Karlsruhe, Germany, as well. A thorough simulation of both the LANL experiments and the Karlsruhe experiment is presented, starting from the neutron production, followed by the interaction in the air, the interaction with the cryostat structure, and finally the scattering medium itself. In addition, scattering from the hydrogen reference sample was simulated. For the LANL data, the multiple scattering corrections are smaller by a factor of five at least, making this work relevant. Even more important are the corrections to the Karlsruhe data
Hogan, Robin
2008-01-15
Cloudnet is a research project supported by the European Commission. This project aims to use data obtained quasi-continuously for the development and implementation of cloud remote sensing synergy algorithms. The use of active instruments (lidar and radar) results in detailed vertical profiles of important cloud parameters which cannot be derived from current satellite sensing techniques. A network of three already existing cloud remote sensing stations (CRS-stations) will be operated for a two year period, activities will be co-ordinated, data formats harmonised and analysis of the data performed to evaluate the representation of clouds in four major european weather forecast models.
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Hogan, Robin
Cloudnet is a research project supported by the European Commission. This project aims to use data obtained quasi-continuously for the development and implementation of cloud remote sensing synergy algorithms. The use of active instruments (lidar and radar) results in detailed vertical profiles of important cloud parameters which cannot be derived from current satellite sensing techniques. A network of three already existing cloud remote sensing stations (CRS-stations) will be operated for a two year period, activities will be co-ordinated, data formats harmonised and analysis of the data performed to evaluate the representation of clouds in four major european weather forecast models.
Spent Nuclear Fuel project, project management plan
Fuquay, B.J.
1995-10-25
The Hanford Spent Nuclear Fuel Project has been established to safely store spent nuclear fuel at the Hanford Site. This Project Management Plan sets forth the management basis for the Spent Nuclear Fuel Project. The plan applies to all fabrication and construction projects, operation of the Spent Nuclear Fuel Project facilities, and necessary engineering and management functions within the scope of the project
Perfetti, Christopher M; Rearden, Bradley T
2014-01-01
This work introduces a new approach for calculating sensitivity coefficients for generalized neutronic responses to nuclear data uncertainties using continuous-energy Monte Carlo methods. The approach presented in this paper, known as the GEAR-MC method, allows for the calculation of generalized sensitivity coefficients for multiple responses in a single Monte Carlo calculation with no nuclear data perturbations or knowledge of nuclear covariance data. The theory behind the GEAR-MC method is presented here, and proof of principle is demonstrated by using the GEAR-MC method to calculate sensitivity coefficients for responses in several 3D, continuous-energy Monte Carlo applications.
Lattice Monte Carlo simulation of Galilei variant anomalous diffusion
Guo, Gang; Bittig, Arne; Uhrmacher, Adelinde
2015-05-01
The observation of an increasing number of anomalous diffusion phenomena motivates the study to reveal the actual reason for such stochastic processes. When it is difficult to get analytical solutions or necessary to track the trajectory of particles, lattice Monte Carlo (LMC) simulation has been shown to be particularly useful. To develop such an LMC simulation algorithm for the Galilei variant anomalous diffusion, we derive explicit solutions for the conditional and unconditional first passage time (FPT) distributions with double absorbing barriers. According to the theory of random walks on lattices and the FPT distributions, we propose an LMC simulation algorithm and prove that such LMC simulation can reproduce both the mean and the mean square displacement exactly in the long-time limit. However, the error introduced in the second moment of the displacement diverges according to a power law as the simulation time progresses. We give an explicit criterion for choosing a small enough lattice step to limit the error within the specified tolerance. We further validate the LMC simulation algorithm and confirm the theoretical error analysis through numerical simulations. The numerical results agree with our theoretical predictions very well.
Monte Carlo analysis of localization errors in magnetoencephalography
Medvick, P.A.; Lewis, P.S.; Aine, C.; Flynn, E.R.
1989-01-01
In magnetoencephalography (MEG), the magnetic fields created by electrical activity in the brain are measured on the surface of the skull. To determine the location of the activity, the measured field is fit to an assumed source generator model, such as a current dipole, by minimizing chi-square. For current dipoles and other nonlinear source models, the fit is performed by an iterative least squares procedure such as the Levenberg-Marquardt algorithm. Once the fit has been computed, analysis of the resulting value of chi-square can determine whether the assumed source model is adequate to account for the measurements. If the source model is adequate, then the effect of measurement error on the fitted model parameters must be analyzed. Although these kinds of simulation studies can provide a rough idea of the effect that measurement error can be expected to have on source localization, they cannot provide detailed enough information to determine the effects that the errors in a particular measurement situation will produce. In this work, we introduce and describe the use of Monte Carlo-based techniques to analyze model fitting errors for real data. Given the details of the measurement setup and a statistical description of the measurement errors, these techniques determine the effects the errors have on the fitted model parameters. The effects can then be summarized in various ways such as parameter variances/covariances or multidimensional confidence regions. 8 refs., 3 figs.
Ensemble bayesian model averaging using markov chain Monte Carlo sampling
Vrugt, Jasper A; Diks, Cees G H; Clark, Martyn P
2008-01-01
Bayesian model averaging (BMA) has recently been proposed as a statistical method to calibrate forecast ensembles from numerical weather models. Successful implementation of BMA however, requires accurate estimates of the weights and variances of the individual competing models in the ensemble. In their seminal paper (Raftery etal. Mon Weather Rev 133: 1155-1174, 2(05)) has recommended the Expectation-Maximization (EM) algorithm for BMA model training, even though global convergence of this algorithm cannot be guaranteed. In this paper, we compare the performance of the EM algorithm and the recently developed Differential Evolution Adaptive Metropolis (DREAM) Markov Chain Monte Carlo (MCMC) algorithm for estimating the BMA weights and variances. Simulation experiments using 48-hour ensemble data of surface temperature and multi-model stream-flow forecasts show that both methods produce similar results, and that their performance is unaffected by the length of the training data set. However, MCMC simulation with DREAM is capable of efficiently handling a wide variety of BMA predictive distributions, and provides useful information about the uncertainty associated with the estimated BMA weights and variances.
Pseudopotentials for quantum Monte Carlo studies of transition metal oxides
Krogel, Jaron T.; Santana Palacio, Juan A.; Reboredo, Fernando A.
2016-02-22
Quantum Monte Carlo (QMC) calculations of transition metal oxides are partially limited by the availability of high-quality pseudopotentials that are both accurate in QMC and compatible with major plane-wave electronic structure codes. We have generated a set of neon-core pseudopotentials with small cutoff radii for the early transition metal elements Sc to Zn within the local density approximation of density functional theory. The pseudopotentials have been directly tested for accuracy within QMC by calculating the first through fourth ionization potentials of the isolated transition metal (M) atoms and the binding curve of each M-O dimer. We find the ionization potentialsmore » to be accurate to 0.16(1) eV, on average, relative to experiment. The equilibrium bond lengths of the dimers are within 0.5(1)% of experimental values, on average, and the binding energies are also typically accurate to 0.18(3) eV. The level of accuracy we find for atoms and dimers is comparable to what has recently been observed for bulk metals and oxides using the same pseudopotentials. Our QMC pseudopotential results compare well with the findings of previous QMC studies and benchmark quantum chemical calculations.« less
High order Chin actions in path integral Monte Carlo
Sakkos, K.; Casulleras, J.; Boronat, J.
2009-05-28
High order actions proposed by Chin have been used for the first time in path integral Monte Carlo simulations. Contrary to the Takahashi-Imada action, which is accurate to the fourth order only for the trace, the Chin action is fully fourth order, with the additional advantage that the leading fourth-order error coefficients are finely tunable. By optimizing two free parameters entering in the new action, we show that the time step error dependence achieved is best fitted with a sixth order law. The computational effort per bead is increased but the total number of beads is greatly reduced and the efficiency improvement with respect to the primitive approximation is approximately a factor of 10. The Chin action is tested in a one-dimensional harmonic oscillator, a H{sub 2} drop, and bulk liquid {sup 4}He. In all cases a sixth-order law is obtained with values of the number of beads that compare well with the pair action approximation in the stringent test of superfluid {sup 4}He.
Improving computational efficiency of Monte Carlo simulations with variance reduction
Turner, A.
2013-07-01
CCFE perform Monte-Carlo transport simulations on large and complex tokamak models such as ITER. Such simulations are challenging since streaming and deep penetration effects are equally important. In order to make such simulations tractable, both variance reduction (VR) techniques and parallel computing are used. It has been found that the application of VR techniques in such models significantly reduces the efficiency of parallel computation due to 'long histories'. VR in MCNP can be accomplished using energy-dependent weight windows. The weight window represents an 'average behaviour' of particles, and large deviations in the arriving weight of a particle give rise to extreme amounts of splitting being performed and a long history. When running on parallel clusters, a long history can have a detrimental effect on the parallel efficiency - if one process is computing the long history, the other CPUs complete their batch of histories and wait idle. Furthermore some long histories have been found to be effectively intractable. To combat this effect, CCFE has developed an adaptation of MCNP which dynamically adjusts the WW where a large weight deviation is encountered. The method effectively 'de-optimises' the WW, reducing the VR performance but this is offset by a significant increase in parallel efficiency. Testing with a simple geometry has shown the method does not bias the result. This 'long history method' has enabled CCFE to significantly improve the performance of MCNP calculations for ITER on parallel clusters, and will be beneficial for any geometry combining streaming and deep penetration effects. (authors)
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In most cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficientmore » as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.« less
Non-adiabatic molecular dynamics by accelerated semiclassical Monte Carlo
White, Alexander J.; Gorshkov, Vyacheslav N.; Tretiak, Sergei; Mozyrsky, Dmitry
2015-07-07
Non-adiabatic dynamics, where systems non-radiatively transition between electronic states, plays a crucial role in many photo-physical processes, such as fluorescence, phosphorescence, and photoisomerization. Methods for the simulation of non-adiabatic dynamics are typically either numerically impractical, highly complex, or based on approximations which can result in failure for even simple systems. Recently, the Semiclassical Monte Carlo (SCMC) approach was developed in an attempt to combine the accuracy of rigorous semiclassical methods with the efficiency and simplicity of widely used surface hopping methods. However, while SCMC was found to be more efficient than other semiclassical methods, it is not yet as efficient as is needed to be used for large molecular systems. Here, we have developed two new methods: the accelerated-SCMC and the accelerated-SCMC with re-Gaussianization, which reduce the cost of the SCMC algorithm up to two orders of magnitude for certain systems. In many cases shown here, the new procedures are nearly as efficient as the commonly used surface hopping schemes, with little to no loss of accuracy. This implies that these modified SCMC algorithms will be of practical numerical solutions for simulating non-adiabatic dynamics in realistic molecular systems.
Monte Carlo Simulations of Cosmic Rays Hadronic Interactions
Aguayo Navarrete, Estanislao; Orrell, John L.; Kouzes, Richard T.
2011-04-01
This document describes the construction and results of the MaCoR software tool, developed to model the hadronic interactions of cosmic rays with different geometries of materials. The ubiquity of cosmic radiation in the environment results in the activation of stable isotopes, referred to as cosmogenic activities. The objective is to use this application in conjunction with a model of the MAJORANA DEMONSTRATOR components, from extraction to deployment, to evaluate cosmogenic activation of such components before and after deployment. The cosmic ray showers include several types of particles with a wide range of energy (MeV to GeV). It is infeasible to compute an exact result with a deterministic algorithm for this problem; Monte Carlo simulations are a more suitable approach to model cosmic ray hadronic interactions. In order to validate the results generated by the application, a test comparing experimental muon flux measurements and those predicted by the application is presented. The experimental and simulated results have a deviation of 3%.
Status of the MORSE multigroup Monte Carlo radiation transport code
Emmett, M.B.
1993-06-01
There are two versions of the MORSE multigroup Monte Carlo radiation transport computer code system at Oak Ridge National Laboratory. MORSE-CGA is the most well-known and has undergone extensive use for many years. MORSE-SGC was originally developed in about 1980 in order to restructure the cross-section handling and thereby save storage. However, with the advent of new computer systems having much larger storage capacity, that aspect of SGC has become unnecessary. Both versions use data from multigroup cross-section libraries, although in somewhat different formats. MORSE-SGC is the version of MORSE that is part of the SCALE system, but it can also be run stand-alone. Both CGA and SGC use the Multiple Array System (MARS) geometry package. In the last six months the main focus of the work on these two versions has been on making them operational on workstations, in particular, the IBM RISC 6000 family. A new version of SCALE for workstations is being released to the Radiation Shielding Information Center (RSIC). MORSE-CGA, Version 2.0, is also being released to RSIC. Both SGC and CGA have undergone other revisions recently. This paper reports on the current status of the MORSE code system.
Random Number Generation for Petascale Quantum Monte Carlo
Ashok Srinivasan
2010-03-16
The quality of random number generators can affect the results of Monte Carlo computations, especially when a large number of random numbers are consumed. Furthermore, correlations present between different random number streams in a parallel computation can further affect the results. The SPRNG software, which the author had developed earlier, has pseudo-random number generators (PRNGs) capable of producing large numbers of streams with large periods. However, they had been empirically tested on only thousand streams earlier. In the work summarized here, we tested the SPRNG generators with over a hundred thousand streams, involving over 10^14 random numbers per test, on some tests. We also tested the popular Mersenne Twister. We believe that these are the largest tests of PRNGs, both in terms of the numbers of streams tested and the number of random numbers tested. We observed defects in some of these generators, including the Mersenne Twister, while a few generators appeared to perform well. We also corrected an error in the implementation of one of the SPRNG generators.
Cohesion Energetics of Carbon Allotropes: Quantum Monte Carlo Study
Shin, Hyeondeok; Kang, Sinabro; Koo, Jahyun; Lee, Hoonkyung; Kim, Jeongnim; Kwon, Yongkyung
2014-01-01
We have performed quantum Monte Carlo calculations to study the cohesion energetics of carbon allotropes, including sp3-bonded diamond, sp2-bonded graphene, sp-sp2 hybridized graphynes, and sp-bonded carbyne. The comput- ed cohesive energies of diamond and graphene are found to be in excellent agreement with the corresponding values de- termined experimentally for diamond and graphite, respectively, when the zero-point energies, along with the interlayer binding in the case of graphite, are included. We have also found that the cohesive energy of graphyne decreases system- atically as the ratio of sp-bonded carbon atoms increases. The cohesive energy of -graphyne, the most energetically- stable graphyne, turns out to be 6.766(6) eV/atom, which is smaller than that of graphene by 0.698(12) eV/atom. Experi- mental difficulty in synthesizing graphynes could be explained by their significantly smaller cohesive energies. Finally we conclude that the cohesive energy of a newly-proposed two-dimensional carbon network can be accurately estimated with the carbon-carbon bond energies determined from the cohesive energies of graphene and three different graphynes.
MARKOV CHAIN MONTE CARLO POSTERIOR SAMPLING WITH THE HAMILTONIAN METHOD
K. HANSON
2001-02-01
The Markov Chain Monte Carlo technique provides a means for drawing random samples from a target probability density function (pdf). MCMC allows one to assess the uncertainties in a Bayesian analysis described by a numerically calculated posterior distribution. This paper describes the Hamiltonian MCMC technique in which a momentum variable is introduced for each parameter of the target pdf. In analogy to a physical system, a Hamiltonian H is defined as a kinetic energy involving the momenta plus a potential energy {var_phi}, where {var_phi} is minus the logarithm of the target pdf. Hamiltonian dynamics allows one to move along trajectories of constant H, taking large jumps in the parameter space with relatively few evaluations of {var_phi} and its gradient. The Hamiltonian algorithm alternates between picking a new momentum vector and following such trajectories. The efficiency of the Hamiltonian method for multidimensional isotropic Gaussian pdfs is shown to remain constant at around 7% for up to several hundred dimensions. The Hamiltonian method handles correlations among the variables much better than the standard Metropolis algorithm. A new test, based on the gradient of {var_phi}, is proposed to measure the convergence of the MCMC sequence.
Driscoll, Mary C.
2012-07-12
The Project Narrative describes how the funds from the DOE grant were used to purchase equipment for the biology, chemistry, physics and mathematics departments. The Narrative also describes how the equipment is being used. There is also a list of the positive outcomes as a result of having the equipment that was purchased with the DOE grant.
LCOE Uncertainty Analysis for Hydropower using Monte Carlo Simulations
Chalise, Dol Raj; O'Connor, Patrick W; DeNeale, Scott T; Uria Martinez, Rocio; Kao, Shih-Chieh
2015-01-01
Levelized Cost of Energy (LCOE) is an important metric to evaluate the cost and performance of electricity production generation alternatives, and combined with other measures, can be used to assess the economics of future hydropower development. Multiple assumptions on input parameters are required to calculate the LCOE, which each contain some level of uncertainty, in turn affecting the accuracy of LCOE results. This paper explores these uncertainties, their sources, and ultimately the level of variability they introduce at the screening level of project evaluation for non-powered dams (NPDs) across the U.S. Owing to site-specific differences in site design, the LCOE for hydropower varies significantly from project to project unlike technologies with more standardized configurations such as wind and gas. Therefore, to assess the impact of LCOE input uncertainty on the economics of U.S. hydropower resources, these uncertainties must be modeled across the population of potential opportunities. To demonstrate the impact of uncertainty, resource data from a recent nationwide non-powered dam (NPD) resource assessment (Hadjerioua et al., 2012) and screening-level predictive cost equations (O Connor et al., 2015) are used to quantify and evaluate uncertainties in project capital and operations & maintenance costs, and generation potential at broad scale. LCOE dependence on financial assumptions is also evaluated on a sensitivity basis to explore ownership/investment implications on project economics for the U.S. hydropower fleet. The results indicate that the LCOE for U.S. NPDs varies substantially. The LCOE estimates for the potential NPD projects of capacity greater than 1 MW range from 40 to 182 $/MWh, with average of 106 $/MWh. 4,000 MW could be developed through projects with individual LCOE values below 100 $/MWh. The results also indicate that typically 90 % of LCOE uncertainty can be attributed to uncertainties in capital costs and energy production; however
MHK Projects/Manchac Point Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
el":"","visitedicon":"" Project Profile Project Start Date 112008 Project City St Gabriel, LA Project StateProvince Louisiana Project Country United States Project Resource...
MHK Projects/Claiborne Island Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
el":"","visitedicon":"" Project Profile Project Start Date 112008 Project City St Gabriel, LA Project StateProvince Louisiana Project Country United States Project Resource...
MHK Projects/Point Pleasant Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
el":"","visitedicon":"" Project Profile Project Start Date 112008 Project City St Gabriel, LA Project StateProvince Louisiana Project Country United States Project Resource...
MHK Projects/College Point Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
bel":"","visitedicon":"" Project Profile Project Start Date 112008 Project City St James, LA Project StateProvince Louisiana Project Country United States Project Resource...
SU-E-T-323: The FLUKA Monte Carlo Code in Ion Beam Therapy
Rinaldi, I
2014-06-01
Purpose: Monte Carlo (MC) codes are increasingly used in the ion beam therapy community due to their detailed description of radiation transport and interaction with matter. The suitability of a MC code demands accurate and reliable physical models for the transport and the interaction of all components of the mixed radiation field. This contribution will address an overview of the recent developments in the FLUKA code oriented to its application in ion beam therapy. Methods: FLUKA is a general purpose MC code which allows the calculations of particle transport and interactions with matter, covering an extended range of applications. The user can manage the code through a graphic interface (FLAIR) developed using the Python programming language. Results: This contribution will present recent refinements in the description of the ionization processes and comparisons between FLUKA results and experimental data of ion beam therapy facilities. Moreover, several validations of the largely improved FLUKA nuclear models for imaging application to treatment monitoring will be shown. The complex calculation of prompt gamma ray emission compares favorably with experimental data and can be considered adequate for the intended applications. New features in the modeling of proton induced nuclear interactions also provide reliable cross section predictions for the production of radionuclides. Of great interest for the community are the developments introduced in FLAIR. The most recent efforts concern the capability of importing computed-tomography images in order to build automatically patient geometries and the implementation of different types of existing positron-emission-tomography scanner devices for imaging applications. Conclusion: The FLUA code has been already chosen as reference MC code in many ion beam therapy centers, and is being continuously improved in order to match the needs of ion beam therapy applications. Parts of this work have been supported by the European
On-the-Fly Doppler Broadening for Monte Carlo Codes (Journal...
Office of Scientific and Technical Information (OSTI)
Title: On-the-Fly Doppler Broadening for Monte Carlo Codes Authors: Yesilyurt, G. ; Martin, W. ; Brown, F. 1 ; Univ. of Michigan) 2 ; Los Alamos National Laboratory) 2 + Show ...
On-the-fly nuclear data processing methods for Monte Carlo simulations of fast spectrum systems
Walsh, Jon
2015-08-31
The presentation summarizes work performed over summer 2015 related to Monte Carlo simulations. A flexible probability table interpolation scheme has been implemented and tested with results comparing favorably to the continuous phase-space on-the-fly approach.
2015-04-02
The Water Power Program helps industry harness this renewable, emissions-free resource to generate environmentally sustainable and cost-effective electricity. Through support for public, private, and nonprofit efforts, the Water Power Program promotes the development, demonstration, and deployment of advanced hydropower devices and pumped storage hydropower applications. These technologies help capture energy stored by diversionary structures, increase the efficiency of hydroelectric generation, and use excess grid energy to replenish storage reserves for use during periods of peak electricity demand. In addition, the Water Power Program works to assess the potential extractable energy from domestic water resources to assist industry and government in planning for our nation’s energy future. From FY 2008 to FY 2014, DOE’s Water Power Program announced awards totaling approximately $62.5 million to 33 projects focused on hydropower. Table 1 provides a brief description of these projects.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
PROJECT SUMMARY 1 TITLE Advancing Synchrophasor Applications and Training through Academic-Industry Collaborations 2 PRINCIPLE INVESTIGATORS University of Wyoming: Dongliang Duan (PI), John Pierre, Suresh Muknahallipatna (co-PIs) Colorado State University: Liuqing Yang, Louis L. Scharf (co-PIs) Montana Tech of the University of Montana: Daniel Trudnowski, Matthew Donnelly (co-PIs) 3 CONTACT INFORMATION Dongliang Duan Dept. 3295, 1000 E. University Ave. Laramie, WY 82070 Tel: (307)766-6541; Fax:
Office of Legacy Management (LM)
FFA Quarterly Report: April 1-June 30, 2009 July 2009 Doc. No. S05572 Page 1 Monticello National Priorities List Sites Federal Facilities Agreement (FFA) Quarterly Report: April 1-June 30, 2009 This report summarizes project status and activities implemented April through June 2009, and provides a schedule of near-term activities for the Monticello Mill Tailings Site (MMTS) and the Monticello Vicinity Properties (MVP) sites. This report also includes disposal cell and Pond 4 leachate collection
Office of Legacy Management (LM)
09 January 2010 Doc. No. S06172 Page 1 1.3 Peripheral Properties (Private and City-Owned) * No land use or supplemental standards compliance issues were observed or reported by LTSM on-site staff. Monticello National Priorities List Sites Federal Facilities Agreement (FFA) Quarterly Report: October 1-December 31, 2009 This report summarizes project status and activities implemented October through December 2009, and provides a schedule of near-term activities for the Monticello Mill Tailings
Office of Legacy Management (LM)
1 July 2011 Doc. No. S07978 Page 1 Monticello, Utah, National Priorities List Sites Federal Facility Agreement (FFA) Quarterly Report: April 1-June 30, 2011 This report summarizes project status and activities implemented April through June 2011 and provides a schedule for near-term activities at the Monticello Vicinity Properties (MVP) site and the Monticello Mill Tailings Site (MMTS) located in and near Monticello, Utah. The MMTS and MVP were placed on the U.S. Environmental Protection Agency
Office of Legacy Management (LM)
31, 2011 April 2011 Doc. No. S07666 Page 1 Monticello, Utah, National Priorities List Sites Federal Facility Agreement (FFA) Quarterly Report: January 1-March 31, 2011 This report summarizes project status and activities implemented January through March 2011 and provides a schedule for near-term activities at the Monticello Vicinity Properties (MVP) site and the Monticello Mill Tailings Site (MMTS) located in and near Monticello, Utah. The MMTS and MVP were placed on the U.S. Environmental
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Hallmark Project Commercialization of the Secure SCADA Communications Protocol, a cryptographic security solution for device-to-device communication Increased connectivity and automation in the control systems that manage the nation's energy infrastructure have improved system functionality, but left systems more vulnerable to cyber attack. Intruders could severely disrupt control system operation by sending fabricated information or commands to control system devices. To ensure message
Tests of Monte Carlo Independent Column Approximation in the ECHAM5
U.S. Department of Energy (DOE) all webpages (Extended Search)
Atmospheric GCM Tests of Monte Carlo Independent Column Approximation in the ECHAM5 Atmospheric GCM Raisanen, Petri Finnish Meteoroligical Institute Jarvenoja, Simo Finnish Meteorological Institute Jarvinen, Heikki Finnish Meteorological Institute Category: Modeling The Monte Carlo Independent Column Approximation (McICA) was recently introduced as a new approach for parametrizing broadband radiative fluxes in global climate models (GCMs). The McICA allows a flexible description of
Multiscale Monte Carlo equilibration: Pure Yang-Mills theory
Endres, Michael G.; Brower, Richard C.; Orginos, Kostas; Detmold, William; Pochinsky, Andrew V.
2015-12-29
In this study, we present a multiscale thermalization algorithm for lattice gauge theory, which enables efficient parallel generation of uncorrelated gauge field configurations. The algorithm combines standard Monte Carlo techniques with ideas drawn from real space renormalization group and multigrid methods. We demonstrate the viability of the algorithm for pure Yang-Mills gauge theory for both heat bath and hybrid Monte Carlo evolution, and show that it ameliorates the problem of topological freezing up to controllable lattice spacing artifacts.
Utility of Monte Carlo Modelling for Holdup Measurements.
Belian, Anthony P.; Russo, P. A.; Weier, Dennis R. ,
2005-01-01
Non-destructive assay (NDA) measurements performed to locate and quantify holdup in the Oak Ridge K25 enrichment cascade used neutron totals counting and low-resolution gamma-ray spectroscopy. This facility housed the gaseous diffusion process for enrichment of uranium, in the form of UF{sub 6} gas, from {approx} 20% to 93%. Inventory of {sup 235}U inventory in K-25 is all holdup. These buildings have been slated for decontaminatino and decommissioning. The NDA measurements establish the inventory quantities and will be used to assure criticality safety and meet criteria for waste analysis and transportation. The tendency to err on the side of conservatism for the sake of criticality safety in specifying total NDA uncertainty argues, in the interests of safety and costs, for obtaining the best possible value of uncertainty at the conservative confidence level for each item of process equipment. Variable deposit distribution is a complex systematic effect (i.e., determined by multiple independent variables) on the portable NDA results for very large and bulk converters that contributes greatly to total uncertainty for holdup in converters measured by gamma or neutron NDA methods. Because the magnitudes of complex systematic effects are difficult to estimate, computational tools are important for evaluating those that are large. Motivated by very large discrepancies between gamma and neutron measurements of high-mass converters with gamma results tending to dominate, the Monte Carlo code MCNP has been used to determine the systematic effects of deposit distribution on gamma and neutron results for {sup 235}U holdup mass in converters. This paper details the numerical methodology used to evaluate large systematic effects unique to each measurement type, validates the methodology by comparison with measurements, and discusses how modeling tools can supplement the calibration of instruments used for holdup measurements by providing realistic values at well
Quantum Monte Carlo methods and lithium cluster properties. [Atomic clusters
Owen, R.K.
1990-12-01
Properties of small lithium clusters with sizes ranging from n = 1 to 5 atoms were investigated using quantum Monte Carlo (QMC) methods. Cluster geometries were found from complete active space self consistent field (CASSCF) calculations. A detailed development of the QMC method leading to the variational QMC (V-QMC) and diffusion QMC (D-QMC) methods is shown. The many-body aspect of electron correlation is introduced into the QMC importance sampling electron-electron correlation functions by using density dependent parameters, and are shown to increase the amount of correlation energy obtained in V-QMC calculations. A detailed analysis of D-QMC time-step bias is made and is found to be at least linear with respect to the time-step. The D-QMC calculations determined the lithium cluster ionization potentials to be 0.1982(14) (0.1981), 0.1895(9) (0.1874(4)), 0.1530(34) (0.1599(73)), 0.1664(37) (0.1724(110)), 0.1613(43) (0.1675(110)) Hartrees for lithium clusters n = 1 through 5, respectively; in good agreement with experimental results shown in the brackets. Also, the binding energies per atom was computed to be 0.0177(8) (0.0203(12)), 0.0188(10) (0.0220(21)), 0.0247(8) (0.0310(12)), 0.0253(8) (0.0351(8)) Hartrees for lithium clusters n = 2 through 5, respectively. The lithium cluster one-electron density is shown to have charge concentrations corresponding to nonnuclear attractors. The overall shape of the electronic charge density also bears a remarkable similarity with the anisotropic harmonic oscillator model shape for the given number of valence electrons.
Quantum Monte Carlo methods and lithium cluster properties
Owen, R.K.
1990-12-01
Properties of small lithium clusters with sizes ranging from n = 1 to 5 atoms were investigated using quantum Monte Carlo (QMC) methods. Cluster geometries were found from complete active space self consistent field (CASSCF) calculations. A detailed development of the QMC method leading to the variational QMC (V-QMC) and diffusion QMC (D-QMC) methods is shown. The many-body aspect of electron correlation is introduced into the QMC importance sampling electron-electron correlation functions by using density dependent parameters, and are shown to increase the amount of correlation energy obtained in V-QMC calculations. A detailed analysis of D-QMC time-step bias is made and is found to be at least linear with respect to the time-step. The D-QMC calculations determined the lithium cluster ionization potentials to be 0.1982(14) [0.1981], 0.1895(9) [0.1874(4)], 0.1530(34) [0.1599(73)], 0.1664(37) [0.1724(110)], 0.1613(43) [0.1675(110)] Hartrees for lithium clusters n = 1 through 5, respectively; in good agreement with experimental results shown in the brackets. Also, the binding energies per atom was computed to be 0.0177(8) [0.0203(12)], 0.0188(10) [0.0220(21)], 0.0247(8) [0.0310(12)], 0.0253(8) [0.0351(8)] Hartrees for lithium clusters n = 2 through 5, respectively. The lithium cluster one-electron density is shown to have charge concentrations corresponding to nonnuclear attractors. The overall shape of the electronic charge density also bears a remarkable similarity with the anisotropic harmonic oscillator model shape for the given number of valence electrons.
MONTE CARLO SIMULATION OF METASTABLE OXYGEN PHOTOCHEMISTRY IN COMETARY ATMOSPHERES
Bisikalo, D. V.; Shematovich, V. I. [Institute of Astronomy of the Russian Academy of Sciences, Moscow (Russian Federation); Grard, J.-C.; Hubert, B. [Laboratory for Planetary and Atmospheric Physics (LPAP), University of Lige, Lige (Belgium); Jehin, E.; Decock, A. [Origines Cosmologiques et Astrophysiques (ORCA), University of Lige (Belgium); Hutsemkers, D. [Extragalactic Astrophysics and Space Observations (EASO), University of Lige (Belgium); Manfroid, J., E-mail: B.Hubert@ulg.ac.be [High Energy Astrophysics Group (GAPHE), University of Lige (Belgium)
2015-01-01
Cometary atmospheres are produced by the outgassing of material, mainly H{sub 2}O, CO, and CO{sub 2} from the nucleus of the comet under the energy input from the Sun. Subsequent photochemical processes lead to the production of other species generally absent from the nucleus, such as OH. Although all comets are different, they all have a highly rarefied atmosphere, which is an ideal environment for nonthermal photochemical processes to take place and influence the detailed state of the atmosphere. We develop a Monte Carlo model of the coma photochemistry. We compute the energy distribution functions (EDF) of the metastable O({sup 1}D) and O({sup 1}S) species and obtain the red (630nm) and green (557.7nm) spectral line shapes of the full coma, consistent with the computed EDFs and the expansion velocity. We show that both species have a severely non-Maxwellian EDF, that results in broad spectral lines and the suprathermal broadening dominates due to the expansion motion. We apply our model to the atmosphere of comet C/1996 B2 (Hyakutake) and 103P/Hartley 2. The computed width of the green line, expressed in terms of speed, is lower than that of the red line. This result is comparable to previous theoretical analyses, but in disagreement with observations. We explain that the spectral line shape does not only depend on the exothermicity of the photochemical production mechanisms, but also on thermalization, due to elastic collisions, reducing the width of the emission line coming from the O({sup 1}D) level, which has a longer lifetime.
PyMercury: Interactive Python for the Mercury Monte Carlo Particle Transport Code
Iandola, F N; O'Brien, M J; Procassini, R J
2010-11-29
Monte Carlo particle transport applications are often written in low-level languages (C/C++) for optimal performance on clusters and supercomputers. However, this development approach often sacrifices straightforward usability and testing in the interest of fast application performance. To improve usability, some high-performance computing applications employ mixed-language programming with high-level and low-level languages. In this study, we consider the benefits of incorporating an interactive Python interface into a Monte Carlo application. With PyMercury, a new Python extension to the Mercury general-purpose Monte Carlo particle transport code, we improve application usability without diminishing performance. In two case studies, we illustrate how PyMercury improves usability and simplifies testing and validation in a Monte Carlo application. In short, PyMercury demonstrates the value of interactive Python for Monte Carlo particle transport applications. In the future, we expect interactive Python to play an increasingly significant role in Monte Carlo usage and testing.
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Multiparticle Monte Carlo Code System for Shielding and Criticality Use.
Energy Science and Technology Software Center (OSTI)
2015-06-01
Version 00 COG is a modern, full-featured Monte Carlo radiation transport code that provides accurate answers to complex shielding, criticality, and activation problems.COG was written to be state-of-the-art and free of physics approximations and compromises found in earlier codes. COG is fully 3-D, uses point-wise cross sections and exact angular scattering, and allows a full range of biasing options to speed up solutions for deep penetration problems. Additionally, a criticality option is available for computingmore » Keff for assemblies of fissile materials. ENDL or ENDFB cross section libraries may be used. COG home page: http://cog.llnl.gov. Cross section libraries are included in the package. COG can use either the LLNL ENDL-90 cross section set or the ENDFB/VI set. Analytic surfaces are used to describe geometric boundaries. Parts (volumes) are described by a method of Constructive Solid Geometry. Surface types include surfaces of up to fourth order, and pseudo-surfaces such as boxes, finite cylinders, and figures of revolution. Repeated assemblies need be defined only once. Parts are visualized in cross-section and perspective picture views. A lattice feature simplifies the specification of regular arrays of parts. Parallel processing under MPI is supported for multi-CPU systems. Source and random-walk biasing techniques may be selected to improve solution statistics. These include source angular biasing, importance weighting, particle splitting and Russian roulette, pathlength stretching, point detectors, scattered direction biasing, and forced collisions. Criticality For a fissioning system, COG will compute Keff by transporting batches of neutrons through the system. Activation COG can compute gamma-ray doses due to neutron-activated materials, starting with just a neutron source. Coupled Problems COG can solve coupled problems involving neutrons, photons, and electrons. COG 11.1 is an updated version of COG11.1 BETA 2 (RSICC C00777MNYCP02
Loyal, Rebecca E.
2015-07-14
The objective of the Portunus Project is to create large, automated offshore ports that will the pace and scale of international trade. Additionally, these ports would increase the number of U.S. domestic trade vessels needed, as the imported goods would need to be transported from these offshore platforms to land-based ports such as Boston, Los Angeles, and Newark. Currently, domestic trade in the United States can only be conducted by vessels that abide by the Merchant Marine Act of 1920 – also referred to as the Jones Act. The Jones Act stipulates that vessels involved in domestic trade must be U.S. owned, U.S. built, and manned by a crew made up of U.S. citizens. The Portunus Project would increase the number of Jones Act vessels needed, which raises an interesting economic concern. Are Jones Act ships more expensive to operate than foreign vessels? Would it be more economically efficient to modify the Jones Act and allow vessels manned by foreign crews to engage in U.S. domestic trade? While opposition to altering the Jones Act is strong, it is important to consider the possibility that ship-owners who employ foreign crews will lobby for the chance to enter a growing domestic trade market. Their success would mean potential job loss for thousands of Americans currently employed in maritime trade.
PROJECT MANGEMENT PLAN EXAMPLES Project Organization Examples
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Source localization using recursively applied and projected (RAP) MUSIC
Mosher, J.C.; Leahy, R.M.
1998-03-01
A new method for source localization is described that is based on a modification of the well known multiple signal classification (MUSIC) algorithm. In classical MUSIC, the array manifold vector is projected onto an estimate of the signal subspace, but errors in the estimate can make location of multiple sources difficult. Recursively applied and projected (RAP) MUSIC uses each successively located source to form an intermediate array gain matrix, and projects both the array manifold and the signal subspace estimate into its orthogonal complement. The MUSIC projection is then performed in this reduced subspace. Using the metric of principal angles, the authors describe a general form of the RAP-MUSIC algorithm for the case of diversely polarized sources. Through a uniform linear array simulation, the authors demonstrate the improved Monte Carlo performance of RAP-MUSIC relative to MUSIC and two other sequential subspace methods, S and IES-MUSIC.
TH-A-18C-09: Ultra-Fast Monte Carlo Simulation for Cone Beam CT Imaging of Brain Trauma
Sisniega, A; Zbijewski, W; Stayman, J; Yorkston, J; Aygun, N; Koliatsos, V; Siewerdsen, J
2014-06-15
Purpose: Application of cone-beam CT (CBCT) to low-contrast soft tissue imaging, such as in detection of traumatic brain injury, is challenged by high levels of scatter. A fast, accurate scatter correction method based on Monte Carlo (MC) estimation is developed for application in high-quality CBCT imaging of acute brain injury. Methods: The correction involves MC scatter estimation executed on an NVIDIA GTX 780 GPU (MC-GPU), with baseline simulation speed of ~1e7 photons/sec. MC-GPU is accelerated by a novel, GPU-optimized implementation of variance reduction (VR) techniques (forced detection and photon splitting). The number of simulated tracks and projections is reduced for additional speed-up. Residual noise is removed and the missing scatter projections are estimated via kernel smoothing (KS) in projection plane and across gantry angles. The method is assessed using CBCT images of a head phantom presenting a realistic simulation of fresh intracranial hemorrhage (100 kVp, 180 mAs, 720 projections, source-detector distance 700 mm, source-axis distance 480 mm). Results: For a fixed run-time of ~1 sec/projection, GPU-optimized VR reduces the noise in MC-GPU scatter estimates by a factor of 4. For scatter correction, MC-GPU with VR is executed with 4-fold angular downsampling and 1e5 photons/projection, yielding 3.5 minute run-time per scan, and de-noised with optimized KS. Corrected CBCT images demonstrate uniformity improvement of 18 HU and contrast improvement of 26 HU compared to no correction, and a 52% increase in contrast-tonoise ratio in simulated hemorrhage compared to “oracle” constant fraction correction. Conclusion: Acceleration of MC-GPU achieved through GPU-optimized variance reduction and kernel smoothing yields an efficient (<5 min/scan) and accurate scatter correction that does not rely on additional hardware or simplifying assumptions about the scatter distribution. The method is undergoing implementation in a novel CBCT dedicated to brain
2013-09-16
The purpose of the Project Grandmaster Application is to allow individuals to opt-in and give the application access to data sources about their activities on social media sites. The application will cross-reference these data sources to build up a picture of each individual activities they discuss, either at present or in the past, and place this picture in reference to groups of all participants. The goal is to allow an individual to place themselves in the collective and to understand how their behavior patterns fit with the group and potentially find changes to make, such as activities they weren?t already aware of or different groups of interest they might want to follow.
Energy Science and Technology Software Center (OSTI)
2013-09-16
The purpose of the Project Grandmaster Application is to allow individuals to opt-in and give the application access to data sources about their activities on social media sites. The application will cross-reference these data sources to build up a picture of each individual activities they discuss, either at present or in the past, and place this picture in reference to groups of all participants. The goal is to allow an individual to place themselves inmore » the collective and to understand how their behavior patterns fit with the group and potentially find changes to make, such as activities they werent already aware of or different groups of interest they might want to follow.« less
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Project Management Lessons Learned
Directives, Delegations, and Requirements [Office of Management (MA)]
2008-08-05
The guide supports DOE O 413.3A, Program and Project Management for the Acquisition of Capital Assets, and aids the federal project directors and integrated project teams in the execution of projects.
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Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
6 DOE Project Management Workshop - "Enhancing Project Management" 2016 DOE Project Management Workshop - "Enhancing Project Management" 20160407-doe-project-management-workshop-AD...
Western Interconnection Synchrophasor Project
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Garcia, Marie-Paule Villoing, Daphnée; Ferrer, Ludovic; Cremonesi, Marta; Botta, Francesca; Ferrari, Mahila; Bardiès, Manuel
2015-12-15
Purpose: The TestDose platform was developed to generate scintigraphic imaging protocols and associated dosimetry by Monte Carlo modeling. TestDose is part of a broader project (www.dositest.com) whose aim is to identify the biases induced by different clinical dosimetry protocols. Methods: The TestDose software allows handling the whole pipeline from virtual patient generation to resulting planar and SPECT images and dosimetry calculations. The originality of their approach relies on the implementation of functional segmentation for the anthropomorphic model representing a virtual patient. Two anthropomorphic models are currently available: 4D XCAT and ICRP 110. A pharmacokinetic model describes the biodistribution of a given radiopharmaceutical in each defined compartment at various time-points. The Monte Carlo simulation toolkit GATE offers the possibility to accurately simulate scintigraphic images and absorbed doses in volumes of interest. The TestDose platform relies on GATE to reproduce precisely any imaging protocol and to provide reference dosimetry. For image generation, TestDose stores user’s imaging requirements and generates automatically command files used as input for GATE. Each compartment is simulated only once and the resulting output is weighted using pharmacokinetic data. Resulting compartment projections are aggregated to obtain the final image. For dosimetry computation, emission data are stored in the platform database and relevant GATE input files are generated for the virtual patient model and associated pharmacokinetics. Results: Two samples of software runs are given to demonstrate the potential of TestDose. A clinical imaging protocol for the Octreoscan™ therapeutical treatment was implemented using the 4D XCAT model. Whole-body “step and shoot” acquisitions at different times postinjection and one SPECT acquisition were generated within reasonable computation times. Based on the same Octreoscan™ kinetics, a dosimetry
Accuracy of Monte Carlo simulations compared to in-vivo MDCT dosimetry
Bostani, Maryam McMillan, Kyle; Cagnon, Chris H.; McNitt-Gray, Michael F.; Mueller, Jonathon W.; Cody, Dianna D.; DeMarco, John J.
2015-02-15
Purpose: The purpose of this study was to assess the accuracy of a Monte Carlo simulation-based method for estimating radiation dose from multidetector computed tomography (MDCT) by comparing simulated doses in ten patients to in-vivo dose measurements. Methods: MD Anderson Cancer Center Institutional Review Board approved the acquisition of in-vivo rectal dose measurements in a pilot study of ten patients undergoing virtual colonoscopy. The dose measurements were obtained by affixing TLD capsules to the inner lumen of rectal catheters. Voxelized patient models were generated from the MDCT images of the ten patients, and the dose to the TLD for all exposures was estimated using Monte Carlo based simulations. The Monte Carlo simulation results were compared to the in-vivo dose measurements to determine accuracy. Results: The calculated mean percent difference between TLD measurements and Monte Carlo simulations was −4.9% with standard deviation of 8.7% and a range of −22.7% to 5.7%. Conclusions: The results of this study demonstrate very good agreement between simulated and measured doses in-vivo. Taken together with previous validation efforts, this work demonstrates that the Monte Carlo simulation methods can provide accurate estimates of radiation dose in patients undergoing CT examinations.
Fission matrix-based Monte Carlo criticality analysis of fuel storage pools
Farlotti, M.; Larsen, E. W.
2013-07-01
Standard Monte Carlo transport procedures experience difficulties in solving criticality problems in fuel storage pools. Because of the strong neutron absorption between fuel assemblies, source convergence can be very slow, leading to incorrect estimates of the eigenvalue and the eigenfunction. This study examines an alternative fission matrix-based Monte Carlo transport method that takes advantage of the geometry of a storage pool to overcome this difficulty. The method uses Monte Carlo transport to build (essentially) a fission matrix, which is then used to calculate the criticality and the critical flux. This method was tested using a test code on a simple problem containing 8 assemblies in a square pool. The standard Monte Carlo method gave the expected eigenfunction in 5 cases out of 10, while the fission matrix method gave the expected eigenfunction in all 10 cases. In addition, the fission matrix method provides an estimate of the error in the eigenvalue and the eigenfunction, and it allows the user to control this error by running an adequate number of cycles. Because of these advantages, the fission matrix method yields a higher confidence in the results than standard Monte Carlo. We also discuss potential improvements of the method, including the potential for variance reduction techniques. (authors)
Choi, Myunghee; Chan, Vincent S.
2014-02-28
This final report describes the work performed under U.S. Department of Energy Cooperative Agreement DE-FC02-08ER54954 for the period April 1, 2011 through March 31, 2013. The goal of this project was to perform iterated finite-orbit Monte Carlo simulations with full-wall fields for modeling tokamak ICRF wave heating experiments. In year 1, the finite-orbit Monte-Carlo code ORBIT-RF and its iteration algorithms with the full-wave code AORSA were improved to enable systematical study of the factors responsible for the discrepancy in the simulated and the measured fast-ion FIDA signals in the DIII-D and NSTX ICRF fast-wave (FW) experiments. In year 2, ORBIT-RF was coupled to the TORIC full-wave code for a comparative study of ORBIT-RF/TORIC and ORBIT-RF/AORSA results in FW experiments.
Statistical Exploration of Electronic Structure of Molecules from Quantum Monte-Carlo Simulations
Prabhat, Mr; Zubarev, Dmitry; Lester, Jr., William A.
2010-12-22
In this report, we present results from analysis of Quantum Monte Carlo (QMC) simulation data with the goal of determining internal structure of a 3N-dimensional phase space of an N-electron molecule. We are interested in mining the simulation data for patterns that might be indicative of the bond rearrangement as molecules change electronic states. We examined simulation output that tracks the positions of two coupled electrons in the singlet and triplet states of an H2 molecule. The electrons trace out a trajectory, which was analyzed with a number of statistical techniques. This project was intended to address the following scientific questions: (1) Do high-dimensional phase spaces characterizing electronic structure of molecules tend to cluster in any natural way? Do we see a change in clustering patterns as we explore different electronic states of the same molecule? (2) Since it is hard to understand the high-dimensional space of trajectories, can we project these trajectories to a lower dimensional subspace to gain a better understanding of patterns? (3) Do trajectories inherently lie in a lower-dimensional manifold? Can we recover that manifold? After extensive statistical analysis, we are now in a better position to respond to these questions. (1) We definitely see clustering patterns, and differences between the H2 and H2tri datasets. These are revealed by the pamk method in a fairly reliable manner and can potentially be used to distinguish bonded and non-bonded systems and get insight into the nature of bonding. (2) Projecting to a lower dimensional subspace ({approx}4-5) using PCA or Kernel PCA reveals interesting patterns in the distribution of scalar values, which can be related to the existing descriptors of electronic structure of molecules. Also, these results can be immediately used to develop robust tools for analysis of noisy data obtained during QMC simulations (3) All dimensionality reduction and estimation techniques that we tried seem to
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Calculation of radiation therapy dose using all particle Monte Carlo transport
Chandler, W.P.; Hartmann-Siantar, C.L.; Rathkopf, J.A.
1999-02-09
The actual radiation dose absorbed in the body is calculated using three-dimensional Monte Carlo transport. Neutrons, protons, deuterons, tritons, helium-3, alpha particles, photons, electrons, and positrons are transported in a completely coupled manner, using this Monte Carlo All-Particle Method (MCAPM). The major elements of the invention include: computer hardware, user description of the patient, description of the radiation source, physical databases, Monte Carlo transport, and output of dose distributions. This facilitated the estimation of dose distributions on a Cartesian grid for neutrons, photons, electrons, positrons, and heavy charged-particles incident on any biological target, with resolutions ranging from microns to centimeters. Calculations can be extended to estimate dose distributions on general-geometry (non-Cartesian) grids for biological and/or non-biological media. 57 figs.
Calculation of radiation therapy dose using all particle Monte Carlo transport
Chandler, William P.; Hartmann-Siantar, Christine L.; Rathkopf, James A.
1999-01-01
The actual radiation dose absorbed in the body is calculated using three-dimensional Monte Carlo transport. Neutrons, protons, deuterons, tritons, helium-3, alpha particles, photons, electrons, and positrons are transported in a completely coupled manner, using this Monte Carlo All-Particle Method (MCAPM). The major elements of the invention include: computer hardware, user description of the patient, description of the radiation source, physical databases, Monte Carlo transport, and output of dose distributions. This facilitated the estimation of dose distributions on a Cartesian grid for neutrons, photons, electrons, positrons, and heavy charged-particles incident on any biological target, with resolutions ranging from microns to centimeters. Calculations can be extended to estimate dose distributions on general-geometry (non-Cartesian) grids for biological and/or non-biological media.
A Proposal for a Standard Interface Between Monte Carlo Tools And One-Loop Programs
Binoth, T.; Boudjema, F.; Dissertori, G.; Lazopoulos, A.; Denner, A.; Dittmaier, S.; Frederix, R.; Greiner, N.; Hoeche, Stefan; Giele, W.; Skands, P.; Winter, J.; Gleisberg, T.; Archibald, J.; Heinrich, G.; Krauss, F.; Maitre, D.; Huber, M.; Huston, J.; Kauer, N.; Maltoni, F.; /Louvain U., CP3 /Milan Bicocca U. /INFN, Turin /Turin U. /Granada U., Theor. Phys. Astrophys. /CERN /NIKHEF, Amsterdam /Heidelberg U. /Oxford U., Theor. Phys.
2011-11-11
Many highly developed Monte Carlo tools for the evaluation of cross sections based on tree matrix elements exist and are used by experimental collaborations in high energy physics. As the evaluation of one-loop matrix elements has recently been undergoing enormous progress, the combination of one-loop matrix elements with existing Monte Carlo tools is on the horizon. This would lead to phenomenological predictions at the next-to-leading order level. This note summarises the discussion of the next-to-leading order multi-leg (NLM) working group on this issue which has been taking place during the workshop on Physics at TeV Colliders at Les Houches, France, in June 2009. The result is a proposal for a standard interface between Monte Carlo tools and one-loop matrix element programs.
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Calculating kinetics parameters and reactivity changes with continuous-energy Monte Carlo
Kiedrowski, Brian C; Brown, Forrest B; Wilson, Paul
2009-01-01
The iterated fission probability interpretation of the adjoint flux forms the basis for a method to perform adjoint weighting of tally scores in continuous-energy Monte Carlo k-eigenvalue calculations. Applying this approach, adjoint-weighted tallies are developed for two applications: calculating point reactor kinetics parameters and estimating changes in reactivity from perturbations. Calculations are performed in the widely-used production code, MCNP, and the results of both applications are compared with discrete ordinates calculations, experimental measurements, and other Monte Carlo calculations.
A Kinetic Monte Carlo Model for Material Aging: Second Phase Formation at
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Au/Bi2Te3 Junction in Oxygen Environment. (Conference) | SciTech Connect Conference: A Kinetic Monte Carlo Model for Material Aging: Second Phase Formation at Au/Bi2Te3 Junction in Oxygen Environment. Citation Details In-Document Search Title: A Kinetic Monte Carlo Model for Material Aging: Second Phase Formation at Au/Bi2Te3 Junction in Oxygen Environment. Abstract not provided. Authors: Zhou, Xiaowang ; Yang, Nancy Y. C. Publication Date: 2014-01-01 OSTI Identifier: 1140735 Report
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3: Project Refinement 2 1 Potential 3 Refinement 4 Implementation 5 Operations & Maintenance 2 Options 3 Refinement 1/28/2016 2 3 FUNDING AND FINANCING OPTIONS Project Ownership Financing structure is highly dependent on size of the project and the capital available for a given project: * Tribe owns the project (cash purchase or debt) * Tribe hosts the project and buys the electricity (power purchase agreement) * Tribe partners with private sector and co-owns the project (uncertainties about
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Process Step 4: Project Implementation Presentation Agenda * Step 4: Project Implementation - Pre-construction - Contract execution - Interconnection - Project construction - Commissioning * Project Example 2 1/28/2016 2 1 Potential 3 Refinement 5 Operations & Maintenance 2 Options 4 Implementation 4 Implementation 3 Potential Options Refinement Implementation Operations & Maintenance Step 4: Implementation 4 Purpose: Contract and begin physical construction of project Tasks: * Finalize
Project Reports for Haida Corporation- 2010 Project
The Reynolds Creek Hydroelectric Project ("Reynolds Creek" or the "Project") is a 5 MW hydroelectric resource to be constructed on Prince of Wales Island, Alaska, approximately 10 miles east of Hydaburg.
Project Reports for Chickasaw Nation- 2010 Project
Under this project, the Chickasaw Nation, Division of Commerce (CNDC) will upgrade old, inefficient lighting systems throughout CNDC to new, energy saving systems. Learn more about this project or...
K-effective of the world: and other concerns for Monte Carlo Eigenvalue calculations
Brown, Forrest B
2010-01-01
Monte Carlo methods have been used to compute k{sub eff} and the fundamental model eigenfunction of critical systems since the 1950s. Despite the sophistication of today's Monte Carlo codes for representing realistic geometry and physics interactions, correct results can be obtained in criticality problems only if users pay attention to source convergence in the Monte Carlo iterations and to running a sufficient number of neutron histories to adequately sample all significant regions of the problem. Recommended best practices for criticality calculations are reviewed and applied to several practical problems for nuclear reactors and criticality safety, including the 'K-effective of the World' problem. Numerical results illustrate the concerns about convergence and bias. The general conclusion is that with today's high-performance computers, improved understanding of the theory, new tools for diagnosing convergence (e.g., Shannon entropy of the fission distribution), and clear practical guidance for performing calculations, practitioners will have a greater degree of confidence than ever of obtaining correct results for Monte Carlo criticality calculations.
Alcouffe, R.E.
1985-01-01
A difficult class of problems for the discrete-ordinates neutral particle transport method is to accurately compute the flux due to a spatially localized source. Because the transport equation is solved for discrete directions, the so-called ray effect causes the flux at space points far from the source to be inaccurate. Thus, in general, discrete ordinates would not be the method of choice to solve such problems. It is better suited for calculating problems with significant scattering. The Monte Carlo method is suited to localized source problems, particularly if the amount of collisional interactions in minimal. However, if there are many scattering collisions and the flux at all space points is desired, then the Monte Carlo method becomes expensive. To take advantage of the attributes of both approaches, we have devised a first collision source method to combine the Monte Carlo and discrete-ordinates solutions. That is, particles are tracked from the source to their first scattering collision and tallied to produce a source for the discrete-ordinates calculation. A scattered flux is then computed by discrete ordinates, and the total flux is the sum of the Monte Carlo and discrete ordinates calculated fluxes. In this paper, we present calculational results using the MCNP and TWODANT codes for selected two-dimensional problems that show the effectiveness of this method.
MUSiC - An Automated Scan for Deviations between Data and Monte Carlo Simulation
Meyer, Arnd
2010-02-10
A model independent analysis approach is presented, systematically scanning the data for deviations from the standard model Monte Carlo expectation. Such an analysis can contribute to the understanding of the CMS detector and the tuning of event generators. The approach is sensitive to a variety of models of new physics, including those not yet thought of.
Using Nuclear Theory, Data and Uncertainties in Monte Carlo Transport Applications
Rising, Michael Evan
2015-11-03
These are slides for a presentation on using nuclear theory, data and uncertainties in Monte Carlo transport applications. The following topics are covered: nuclear data (experimental data versus theoretical models, data evaluation and uncertainty quantification), fission multiplicity models (fixed source applications, criticality calculations), uncertainties and their impact (integral quantities, sensitivity analysis, uncertainty propagation).
3D Direct Simulation Monte Carlo Code Which Solves for Geometrics
Energy Science and Technology Software Center (OSTI)
1998-01-13
Pegasus is a 3D Direct Simulation Monte Carlo Code which solves for geometries which can be represented by bodies of revolution. Included are all the surface chemistry enhancements in the 2D code Icarus as well as a real vacuum pump model. The code includes multiple species transport.
Use of single scatter electron monte carlo transport for medical radiation sciences
Svatos, Michelle M.
2001-01-01
The single scatter Monte Carlo code CREEP models precise microscopic interactions of electrons with matter to enhance physical understanding of radiation sciences. It is designed to simulate electrons in any medium, including materials important for biological studies. It simulates each interaction individually by sampling from a library which contains accurate information over a broad range of energies.
Self-evolving atomistic kinetic Monte Carlo simulations of defects in materials
Xu, Haixuan; Beland, Laurent K.; Stoller, Roger E.; Osetskiy, Yury N.
2015-01-29
The recent development of on-the-fly atomistic kinetic Monte Carlo methods has led to an increased amount attention on the methods and their corresponding capabilities and applications. In this review, the framework and current status of Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC) are discussed. SEAKMC particularly focuses on defect interaction and evolution with atomistic details without assuming potential defect migration/interaction mechanisms and energies. The strength and limitation of using an active volume, the key concept introduced in SEAKMC, are discussed. Potential criteria for characterizing an active volume are discussed and the influence of active volume size on saddle point energies ismore » illustrated. A procedure starting with a small active volume followed by larger active volumes was found to possess higher efficiency. Applications of SEAKMC, ranging from point defect diffusion, to complex interstitial cluster evolution, to helium interaction with tungsten surfaces, are summarized. A comparison of SEAKMC with molecular dynamics and conventional object kinetic Monte Carlo is demonstrated. Overall, SEAKMC is found to be complimentary to conventional molecular dynamics, especially when the harmonic approximation of transition state theory is accurate. However it is capable of reaching longer time scales than molecular dynamics and it can be used to systematically increase the accuracy of other methods such as object kinetic Monte Carlo. Furthermore, the challenges and potential development directions are also outlined.« less
Green's function Monte Carlo calculation for the ground state of helium trimers
Cabral, F.; Kalos, M.H.
1981-02-01
The ground state energy of weakly bound boson trimers interacting via Lennard-Jones (12,6) pair potentials is calculated using a Monte Carlo Green's Function Method. Threshold coupling constants for self binding are obtained by extrapolation to zero binding.
Baba, Justin S; Koju, Vijay; John, Dwayne O
2016-01-01
The modulation of the state of polarization of photons due to scatter generates associated geometric phase that is being investigated as a means for decreasing the degree of uncertainty in back-projecting the paths traversed by photons detected in backscattered geometry. In our previous work, we established that polarimetrically detected Berry phase correlates with the mean photon penetration depth of the backscattered photons collected for image formation. In this work, we report on the impact of state-of-linear-polarization (SOLP) filtering on both the magnitude and population distributions of image forming detected photons as a function of the absorption coefficient of the scattering sample. The results, based on Berry phase tracking implemented Polarized Monte Carlo Code, indicate that sample absorption plays a significant role in the mean depth attained by the image forming backscattered detected photons.
U.S. Department of Energy (DOE) all webpages (Extended Search)
with each project directory. This user must have a NIM role of PI, PI Proxy, or Project Manager. Access control for project directories is based on Unix groups. The...
Office of Energy Efficiency and Renewable Energy (EERE)
On December 19, 2014, the Energy Department released its "Improving Project Management" report, a roadmap to transformation in funding, culture, project ownership, independent oversight and front-end planning from experienced project management leaders.
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EERE WebDigital Project Charter |Project Name|| |Project Lead|| |Supporting EERE Office... How do you plan to address Section 508 requirements? Do you need a separate Web statistics ...
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Bradys EGS Project DOE: DE-FG36-08GO18200 Kyle Snyder Ezra Zemach Ormat Nevada Inc. Project Officer: Bill Vandermeer Total Project Funding: $6.6M April 22nd, 2013 This presentation does not contain any proprietary confidential, or otherwise restricted information. Insert photo of your choice 2 | US DOE Geothermal Program eere.energy.gov - Timeline * Project start date: September 2008, contract singed on June 2009 * Project end date: December 2013 * percent complete: ~50% - Budget * Total project
Completed Deepwater Technology Projects
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Deepwater Technology Projects Active Projects | Completed Projects Completed Offshore Deepwater Technology Projects Project Number Project Name Primary Performer 12121-6503-01 Development of Best Practices and Risk Mitigation Measures for Deepwater Cementing in SBM and OBM CSI Technologies 11121-5101-01 Trident: A Human Factors Decision Aid Integrating Deepwater Drilling Tasks, Incidents, and Literature Review Pacific Science & Engineering Group 11121-5503-01 Intelligent BOP RAM Actuation
Completed Methane Hydrate Projects
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Completed Methane Hydrate Projects Active Projects | Completed Projects Completed Methane Hydrate Projects Project Number Project Name Primary Performer DE-FE0002911 Natural Gas Hydrates in Permafrost and Marine Settings: Resources, Properties, and Environmental Issues U.S. Geological Survey at Woods Hole DE-FE0013565 Hydrate Evolution in Response to Ongoing Environmental Shifts University of Oregon DE-FE0013889 THCM Coupled Model for Hydrate-bearing Sediments: Data Analysis and Design of New
Buckman Direct Diversion Project
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Buckman Direct Diversion Project Buckman Direct Diversion Project This project takes surface water from the Rio Grande, and then treats and distributes these waters to the city and county of Santa Fe through their drinking water distribution systems. August 1, 2013 Water flumes at Buckman Direct Diversion Project Water flumes at Buckman Direct Diversion Project The City of Santa Fe and Santa Fe County completed the construction of the Buckman Direct Diversion (BDD) Project in December 2010. The
The effects of mapping CT images to Monte Carlo materials on GEANT4 proton simulation accuracy
Barnes, Samuel; McAuley, Grant; Slater, James; Wroe, Andrew
2013-04-15
Purpose: Monte Carlo simulations of radiation therapy require conversion from Hounsfield units (HU) in CT images to an exact tissue composition and density. The number of discrete densities (or density bins) used in this mapping affects the simulation accuracy, execution time, and memory usage in GEANT4 and other Monte Carlo code. The relationship between the number of density bins and CT noise was examined in general for all simulations that use HU conversion to density. Additionally, the effect of this on simulation accuracy was examined for proton radiation. Methods: Relative uncertainty from CT noise was compared with uncertainty from density binning to determine an upper limit on the number of density bins required in the presence of CT noise. Error propagation analysis was also performed on continuously slowing down approximation range calculations to determine the proton range uncertainty caused by density binning. These results were verified with Monte Carlo simulations. Results: In the presence of even modest CT noise (5 HU or 0.5%) 450 density bins were found to only cause a 5% increase in the density uncertainty (i.e., 95% of density uncertainty from CT noise, 5% from binning). Larger numbers of density bins are not required as CT noise will prevent increased density accuracy; this applies across all types of Monte Carlo simulations. Examining uncertainty in proton range, only 127 density bins are required for a proton range error of <0.1 mm in most tissue and <0.5 mm in low density tissue (e.g., lung). Conclusions: By considering CT noise and actual range uncertainty, the number of required density bins can be restricted to a very modest 127 depending on the application. Reducing the number of density bins provides large memory and execution time savings in GEANT4 and other Monte Carlo packages.
Y-12 Steam Plant Project Received National Recognition for Project...
National Nuclear Security Administration (NNSA)
Steam Plant Project Received National Recognition for Project Management Excellence March 23, 2011 Y-12 steam plant project receives national recognition for project management ...
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Project Country Australia Project Resource Click here Current Tidal Project Nearest Body of Water Clarence Strait Coordinates -12.083533792616, 131.04972839355 Project...
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Province Louisiana Project Country United States Project Resource Click here Current Tidal Coordinates 29.9177, -89.9307 Project Phase Phase 1 Project Installed Capacity...
The Office funds 154 research and development projects leveraging nearly $500 million in total combined investment. Each project represents a growing technology sector in conventional hydrothermal,...
Step 4: Project Implementation
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
... expected * Technology O&M Assumed low, mitigable or allocatable Sources: Adapted from Holland & Hart, RE Project Development & Finance & Infocast, Advanced RE Project Finance & ...
Project Finance and Investments
Plenary III: Project Finance and Investment Project Finance and Investments Chris Cassidy, National Business Renewable Energy Advisor, U.S. Department of Agriculture
2016 Technology Innovation Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Projects FY 2016 Technology Innovation Project Briefs Demand Response TIP 292: Advanced Heat Pump Water Heater Research TIP 336: Scaled Deployment and Demonstration of Demand...
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Organization area to allow the movement and radio-graphing of component for evaluation to determine the proper Project Execution Plan for dismantlement. Evaluation Project...
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... Communication Base Coordination Regulatory Requirements Lease Project Management Environmental NSA Crane 13 Overview of Project * Leased Area: 140 acres on base * DC Capacity: ...
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... Center for Oak Ridge Oral History, including stories about the Manhattan Project The Manhattan Project: A New and Secret World of Human Experimentation Top Related Information: ...
Transmission Commercial Project Integration
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Projects Expand Projects Skip navigation links Ancillary and Control Area Services (ACS) Practices Forum Attachment K Commercial Business Process Improvement (CBPI) Customer...
Falls Creek Hydroelectric Project
Gustavus Electric Company; Richard Levitt; DOE Project Officer - Keith Bennett
2007-06-12
This project was for planning and construction of a 700kW hydropower project on the Fall River near Gustavus, Alaska.
Second Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 ContractProject Management Performance Metric FY 2012 Target FY 2012 Forecast ...
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Scroll down to view thumbnails of each map. Leslie Groves looks at a map of Japan. Manhattan Project: General Manhattan Project Facilities Places map "Signature Facilities of the ...
To provide information on the DHS Flat Stanley Project. The goal of the project is to help kids learn about the importance of cybersecurity.
Alternative Fuels and Advanced Vehicles Data Center
U.S. Department of Energy funded multiple electrification projects through the American ... The U.S. Department of Energy funded multiple electrification projects through the ...
Photovoltaic Solar Projects | Department of Energy
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Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects Photovoltaic Solar Projects LPO_Utility-Scale_PV_Solar_Report_Thumbnail_180.png
Projects - Summer 2017 Cyclotron Institute REU Program
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2017 Student Projects
A Hybrid Monte Carlo-Deterministic Method for Global Binary Stochastic Medium Transport Problems
Keady, K P; Brantley, P
2010-03-04
Global deep-penetration transport problems are difficult to solve using traditional Monte Carlo techniques. In these problems, the scalar flux distribution is desired at all points in the spatial domain (global nature), and the scalar flux typically drops by several orders of magnitude across the problem (deep-penetration nature). As a result, few particle histories may reach certain regions of the domain, producing a relatively large variance in tallies in those regions. Implicit capture (also known as survival biasing or absorption suppression) can be used to increase the efficiency of the Monte Carlo transport algorithm to some degree. A hybrid Monte Carlo-deterministic technique has previously been developed by Cooper and Larsen to reduce variance in global problems by distributing particles more evenly throughout the spatial domain. This hybrid method uses an approximate deterministic estimate of the forward scalar flux distribution to automatically generate weight windows for the Monte Carlo transport simulation, avoiding the necessity for the code user to specify the weight window parameters. In a binary stochastic medium, the material properties at a given spatial location are known only statistically. The most common approach to solving particle transport problems involving binary stochastic media is to use the atomic mix (AM) approximation in which the transport problem is solved using ensemble-averaged material properties. The most ubiquitous deterministic model developed specifically for solving binary stochastic media transport problems is the Levermore-Pomraning (L-P) model. Zimmerman and Adams proposed a Monte Carlo algorithm (Algorithm A) that solves the Levermore-Pomraning equations and another Monte Carlo algorithm (Algorithm B) that is more accurate as a result of improved local material realization modeling. Recent benchmark studies have shown that Algorithm B is often significantly more accurate than Algorithm A (and therefore the L-P model
Project Management Resources | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Project Management Resources Project Management Resources Performance & Project Completion Environmental Management Completed Projects 2005-Present EM Current Project Performance ...
Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics.
Seker, V.; Thomas, J. W.; Downar, T. J.; Purdue Univ.
2007-01-01
A computational code system based on coupling the Monte Carlo code MCNP5 and the Computational Fluid Dynamics (CFD) code STAR-CD was developed as an audit tool for lower order nuclear reactor calculations. This paper presents the methodology of the developed computer program 'McSTAR'. McSTAR is written in FORTRAN90 programming language and couples MCNP5 and the commercial CFD code STAR-CD. MCNP uses a continuous energy cross section library produced by the NJOY code system from the raw ENDF/B data. A major part of the work was to develop and implement methods to update the cross section library with the temperature distribution calculated by STARCD for every region. Three different methods were investigated and implemented in McSTAR. The user subroutines in STAR-CD are modified to read the power density data and assign them to the appropriate variables in the program and to write an output data file containing the temperature, density and indexing information to perform the mapping between MCNP and STAR-CD cells. Preliminary testing of the code was performed using a 3x3 PWR pin-cell problem. The preliminary results are compared with those obtained from a STAR-CD coupled calculation with the deterministic transport code DeCART. Good agreement in the k{sub eff} and the power profile was observed. Increased computational capabilities and improvements in computational methods have accelerated interest in high fidelity modeling of nuclear reactor cores during the last several years. High-fidelity has been achieved by utilizing full core neutron transport solutions for the neutronics calculation and computational fluid dynamics solutions for the thermal-hydraulics calculation. Previous researchers have reported the coupling of 3D deterministic neutron transport method to CFD and their application to practical reactor analysis problems. One of the principal motivations of the work here was to utilize Monte Carlo methods to validate the coupled deterministic neutron
Commissioning of a Varian Clinac iX 6 MV photon beam using Monte Carlo simulation
Dirgayussa, I Gde Eka Yani, Sitti; Haryanto, Freddy; Rhani, M. Fahdillah
2015-09-30
Monte Carlo modelling of a linear accelerator is the first and most important step in Monte Carlo dose calculations in radiotherapy. Monte Carlo is considered today to be the most accurate and detailed calculation method in different fields of medical physics. In this research, we developed a photon beam model for Varian Clinac iX 6 MV equipped with MilleniumMLC120 for dose calculation purposes using BEAMnrc/DOSXYZnrc Monte Carlo system based on the underlying EGSnrc particle transport code. Monte Carlo simulation for this commissioning head LINAC divided in two stages are design head Linac model using BEAMnrc, characterize this model using BEAMDP and analyze the difference between simulation and measurement data using DOSXYZnrc. In the first step, to reduce simulation time, a virtual treatment head LINAC was built in two parts (patient-dependent component and patient-independent component). The incident electron energy varied 6.1 MeV, 6.2 MeV and 6.3 MeV, 6.4 MeV, and 6.6 MeV and the FWHM (full width at half maximum) of source is 1 mm. Phase-space file from the virtual model characterized using BEAMDP. The results of MC calculations using DOSXYZnrc in water phantom are percent depth doses (PDDs) and beam profiles at depths 10 cm were compared with measurements. This process has been completed if the dose difference of measured and calculated relative depth-dose data along the central-axis and dose profile at depths 10 cm is ≤ 5%. The effect of beam width on percentage depth doses and beam profiles was studied. Results of the virtual model were in close agreement with measurements in incident energy electron 6.4 MeV. Our results showed that photon beam width could be tuned using large field beam profile at the depth of maximum dose. The Monte Carlo model developed in this study accurately represents the Varian Clinac iX with millennium MLC 120 leaf and can be used for reliable patient dose calculations. In this commissioning process, the good
Desert Peak EGS Project presentation at the April 2013 peer review meeting held in Denver, Colorado.
Jack Surash, Deputy Assistant Secretary for Acquisition and Project Management, Environmental Management March 22, 2016
Statement of Project Objectives
Office of Energy Efficiency and Renewable Energy (EERE)
Statement of Project Objectives, from the Tool Kit Framework: Small Town University Energy Program (STEP).
Energy Science and Technology Software Center (OSTI)
2014-06-01
eProject Builder enables Energy Services Companies (ESCOs) and their contracting agencies to: 1. upload and track project-level Information 2. generate basic project reports required by local, state, and/or federal agencies 3. benchmark new Energy Savings Performance Contract (ESPC) projects against historical data
TH-A-18C-04: Ultrafast Cone-Beam CT Scatter Correction with GPU-Based Monte Carlo Simulation
Xu, Y; Bai, T; Yan, H; Ouyang, L; Wang, J; Pompos, A; Jiang, S; Jia, X; Zhou, L
2014-06-15
Purpose: Scatter artifacts severely degrade image quality of cone-beam CT (CBCT). We present an ultrafast scatter correction framework by using GPU-based Monte Carlo (MC) simulation and prior patient CT image, aiming at automatically finish the whole process including both scatter correction and reconstructions within 30 seconds. Methods: The method consists of six steps: 1) FDK reconstruction using raw projection data; 2) Rigid Registration of planning CT to the FDK results; 3) MC scatter calculation at sparse view angles using the planning CT; 4) Interpolation of the calculated scatter signals to other angles; 5) Removal of scatter from the raw projections; 6) FDK reconstruction using the scatter-corrected projections. In addition to using GPU to accelerate MC photon simulations, we also use a small number of photons and a down-sampled CT image in simulation to further reduce computation time. A novel denoising algorithm is used to eliminate MC scatter noise caused by low photon numbers. The method is validated on head-and-neck cases with simulated and clinical data. Results: We have studied impacts of photo histories, volume down sampling factors on the accuracy of scatter estimation. The Fourier analysis was conducted to show that scatter images calculated at 31 angles are sufficient to restore those at all angles with <0.1% error. For the simulated case with a resolution of 512×512×100, we simulated 10M photons per angle. The total computation time is 23.77 seconds on a Nvidia GTX Titan GPU. The scatter-induced shading/cupping artifacts are substantially reduced, and the average HU error of a region-of-interest is reduced from 75.9 to 19.0 HU. Similar results were found for a real patient case. Conclusion: A practical ultrafast MC-based CBCT scatter correction scheme is developed. The whole process of scatter correction and reconstruction is accomplished within 30 seconds. This study is supported in part by NIH (1R01CA154747-01), The Core Technology Research
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
2 nd Quarter Overall Contract and Project Management Performance Metrics and Targets Contract/Project Management Performance Metrics FY 2009 Target FY 2009 Actual Comment 1. Capital Asset Line Item Projects: 90% of projects completed within 110% of CD-2 TPC by FY11. 80% - Two projects completed in the 2 nd Qtr FY09. This is a 3-year rolling average (FY07 to FY09). 2. EM Cleanup (Soil and Groundwater Remediation, D&D, and Waste Treatment and Disposal) Projects: 90% of EM cleanup projects
January 2016 Project Dashboard
The Office of Project Management Oversight and Assessments (PM) provides a monthly assessment of DOEs portfolio of capital assets projects, which is summarized in the monthly Project Dashboard report. The current portfolio consists of 32 active projects with established scope, schedule, and cost performance baselines. Based on current performance, projects that are expected to meet their performance baseline are assessed as GREEN, projects that are at-risk of breaching their performance baselines are assessed as YELLOW, and projects that are expected to breach their performance baselines are assessed as RED.
The Office of Project Management Oversight and Assessments (PM) provides a monthly assessment of DOE’s portfolio of capital assets projects, which is summarized in the monthly Project Dashboard report. The current portfolio consists of 34 active projects with established scope, schedule, and cost performance baselines. Based on current performance, projects that are expected to meet their performance baseline are assessed as GREEN, projects that are at-risk of breaching their performance baselines are assessed as YELLOW, and projects that are expected to breach their performance baselines are assessed as RED.
December 2015 Project Dashboard
The Office of Project Management Oversight and Assessments (PM) provides a monthly assessment of DOEs portfolio of capital assets projects, which is summarized in the monthly Project Dashboard report. The current portfolio consists of 32 active projects with established scope, schedule, and cost performance baselines. Based on current performance, projects that are expected to meet their performance baseline are assessed as GREEN, projects that are at-risk of breaching their performance baselines are assessed as YELLOW, and projects that are expected to breach their performance baselines are assessed as RED.
PROJECT MANGEMENT PLAN EXAMPLES Project Execution Example
Office of Environmental Management (EM)
Project Execution Example Example 73 6.3 Project Approach The overall schedule strategy for the PFP project includes ongoing minimum safe activities, combined with stabilization of materials followed by materials disposition, and subsequent transition of the PFP complex to a decommissioned state. The PFP material stabilization baseline was developed using a functionally-based work WBS. The WBS defines all activities required to take each material stream from their current location/conditions
Reynolds Creek Hydroelectric Project, Project Status
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Hydroelectric Project Project Status November 17, 2009 By : Alvin Edenshaw, President Haida Corporation and Haida Energy, Inc. Mike Stimac, P.E. Vice President, HDR Engineering, Inc. Project Manager November 17, 2009 2 Haida Corporation Located in Hydaburg on Prince of Wales Island in SE Alaska Hydaburg population = 350 people (called Kaigani Haida) Hydaburg is largest Haida Village in Alaska Subsistence and Commercial Fishing Lifestyle Substantial Timber Holdings
Beland, Laurent Karim; Osetskiy, Yury N.; Stoller, Roger E.; Xu, Haixuan
2015-02-07
Here, we present a comparison of the Kinetic Activation–Relaxation Technique (k-ART) and the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC), two off-lattice, on-the-fly Kinetic Monte Carlo (KMC) techniques that were recently used to solve several materials science problems. We show that if the initial displacements are localized the dimer method and the Activation–Relaxation Technique nouveau provide similar performance. We also show that k-ART and SEAKMC, although based on different approximations, are in agreement with each other, as demonstrated by the examples of 50 vacancies in a 1950-atom Fe box and of interstitial loops in 16,000-atom boxes. Generally speaking, k-ART’s treatment of geometry and flickers is more flexible, e.g. it can handle amorphous systems, and rigorous than SEAKMC’s, while the later’s concept of active volumes permits a significant speedup of simulations for the systems under consideration and therefore allows investigations of processes requiring large systems that are not accessible if not localizing calculations.
Beland, Laurent Karim; Osetskiy, Yury N.; Stoller, Roger E.; Xu, Haixuan
2015-02-07
Here, we present a comparison of the Kinetic Activation–Relaxation Technique (k-ART) and the Self-Evolving Atomistic Kinetic Monte Carlo (SEAKMC), two off-lattice, on-the-fly Kinetic Monte Carlo (KMC) techniques that were recently used to solve several materials science problems. We show that if the initial displacements are localized the dimer method and the Activation–Relaxation Technique nouveau provide similar performance. We also show that k-ART and SEAKMC, although based on different approximations, are in agreement with each other, as demonstrated by the examples of 50 vacancies in a 1950-atom Fe box and of interstitial loops in 16,000-atom boxes. Generally speaking, k-ART’s treatment ofmore » geometry and flickers is more flexible, e.g. it can handle amorphous systems, and rigorous than SEAKMC’s, while the later’s concept of active volumes permits a significant speedup of simulations for the systems under consideration and therefore allows investigations of processes requiring large systems that are not accessible if not localizing calculations.« less
Bauge, E.
2015-01-15
The “Full model” evaluation process, that is used in CEA DAM DIF to evaluate nuclear data in the continuum region, makes extended use of nuclear models implemented in the TALYS code to account for experimental data (both differential and integral) by varying the parameters of these models until a satisfactory description of these experimental data is reached. For the evaluation of the covariance data associated with this evaluated data, the Backward-forward Monte Carlo (BFMC) method was devised in such a way that it mirrors the process of the “Full model” evaluation method. When coupled with the Total Monte Carlo method via the T6 system developed by NRG Petten, the BFMC method allows to make use of integral experiments to constrain the distribution of model parameters, and hence the distribution of derived observables and their covariance matrix. Together, TALYS, TMC, BFMC, and T6, constitute a powerful integrated tool for nuclear data evaluation, that allows for evaluation of nuclear data and the associated covariance matrix, all at once, making good use of all the available experimental information to drive the distribution of the model parameters and the derived observables.
Project Reports for Winnebago Tribe- 2014 Project
Office of Energy Efficiency and Renewable Energy (EERE)
Following through with the Winnebago Tribe's commitment to reduce energy usage and consumption, the Winnebago Tribe Solar Project will focus on renewable energy production and energy cost savings...
Project Information Form for Usability Projects | Department...
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
it to the Web Governance Team facilitator. File Project Information Form - Usability More Documents & Publications EERE's Usability and Analysis Techniques Guidebook Web Content ...
Pandya, Tara M.; Johnson, Seth R.; Evans, Thomas M.; Davidson, Gregory G.; Hamilton, Steven P.; Godfrey, Andrew T.
2015-12-21
This paper discusses the implementation, capabilities, and validation of Shift, a massively parallel Monte Carlo radiation transport package developed and maintained at Oak Ridge National Laboratory. It has been developed to scale well from laptop to small computing clusters to advanced supercomputers. Special features of Shift include hybrid capabilities for variance reduction such as CADIS and FW-CADIS, and advanced parallel decomposition and tally methods optimized for scalability on supercomputing architectures. Shift has been validated and verified against various reactor physics benchmarks and compares well to other state-of-the-art Monte Carlo radiation transport codes such as MCNP5, CE KENO-VI, and OpenMC. Some specific benchmarks used for verification and validation include the CASL VERA criticality test suite and several Westinghouse AP1000^{®} problems. These benchmark and scaling studies show promising results.
Calculating alpha Eigenvalues in a Continuous-Energy Infinite Medium with Monte Carlo
Betzler, Benjamin R.; Kiedrowski, Brian C.; Brown, Forrest B.; Martin, William R.
2012-09-04
The {alpha} eigenvalue has implications for time-dependent problems where the system is sub- or supercritical. We present methods and results from calculating the {alpha}-eigenvalue spectrum for a continuous-energy infinite medium with a simplified Monte Carlo transport code. We formulate the {alpha}-eigenvalue problem, detail the Monte Carlo code physics, and provide verification and results. We have a method for calculating the {alpha}-eigenvalue spectrum in a continuous-energy infinite-medium. The continuous-time Markov process described by the transition rate matrix provides a way of obtaining the {alpha}-eigenvalue spectrum and kinetic modes. These are useful for the approximation of the time dependence of the system.
Turrell, A.E. Sherlock, M.; Rose, S.J.
2015-10-15
Large-angle Coulomb collisions allow for the exchange of a significant proportion of the energy of a particle in a single collision, but are not included in models of plasmas based on fluids, the Vlasov–Fokker–Planck equation, or currently available plasma Monte Carlo techniques. Their unique effects include the creation of fast ‘knock-on’ ions, which may be more likely to undergo certain reactions, and distortions to ion distribution functions relative to what is predicted by small-angle collision only theories. We present a computational method which uses Monte Carlo techniques to include the effects of large-angle Coulomb collisions in plasmas and which self-consistently evolves distribution functions according to the creation of knock-on ions of any generation. The method is used to demonstrate ion distribution function distortions in an inertial confinement fusion (ICF) relevant scenario of the slowing of fusion products.
Numerical thermalization in particle-in-cell simulations with Monte-Carlo collisions
Lai, P. Y.; Lin, T. Y.; Lin-Liu, Y. R.; Chen, S. H.
2014-12-15
Numerical thermalization in collisional one-dimensional (1D) electrostatic (ES) particle-in-cell (PIC) simulations was investigated. Two collision models, the pitch-angle scattering of electrons by the stationary ion background and large-angle collisions between the electrons and the neutral background, were included in the PIC simulation using Monte-Carlo methods. The numerical results show that the thermalization times in both models were considerably reduced by the additional Monte-Carlo collisions as demonstrated by comparisons with Turner's previous simulation results based on a head-on collision model [M. M. Turner, Phys. Plasmas 13, 033506 (2006)]. However, the breakdown of Dawson's scaling law in the collisional 1D ES PIC simulation is more complicated than that was observed by Turner, and the revised scaling law of the numerical thermalization time with numerical parameters are derived on the basis of the simulation results obtained in this study.
Pandya, Tara M; Johnson, Seth R; Evans, Thomas M; Davidson, Gregory G; Hamilton, Steven P; Godfrey, Andrew T
2016-01-01
This work discusses the implementation, capabilities, and validation of Shift, a massively parallel Monte Carlo radiation transport package developed and maintained at Oak Ridge National Laboratory. It has been developed to scale well from laptop to small computing clusters to advanced supercomputers. Special features of Shift include hybrid capabilities for variance reduction such as CADIS and FW-CADIS, and advanced parallel decomposition and tally methods optimized for scalability on supercomputing architectures. Shift has been validated and verified against various reactor physics benchmarks and compares well to other state-of-the-art Monte Carlo radiation transport codes such as MCNP5, CE KENO-VI, and OpenMC. Somemorespecific benchmarks used for verification and validation include the CASL VERA criticality test suite and several Westinghouse AP1000 R problems. These benchmark and scaling studies show promising results.less
Tringe, J. W.; Ileri, N.; Levie, H. W.; Stroeve, P.; Ustach, V.; Faller, R.; Renaud, P.
2015-08-01
We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage. Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.
Tringe, J. W.; Ileri, N.; Levie, H. W.; Stroeve, P.; Ustach, V.; Faller, R.; Renaud, P.
2015-08-01
We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage.more » Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.« less
Pandya, Tara M.; Johnson, Seth R.; Evans, Thomas M.; Davidson, Gregory G.; Hamilton, Steven P.; Godfrey, Andrew T.
2015-12-21
This paper discusses the implementation, capabilities, and validation of Shift, a massively parallel Monte Carlo radiation transport package developed and maintained at Oak Ridge National Laboratory. It has been developed to scale well from laptop to small computing clusters to advanced supercomputers. Special features of Shift include hybrid capabilities for variance reduction such as CADIS and FW-CADIS, and advanced parallel decomposition and tally methods optimized for scalability on supercomputing architectures. Shift has been validated and verified against various reactor physics benchmarks and compares well to other state-of-the-art Monte Carlo radiation transport codes such as MCNP5, CE KENO-VI, and OpenMC. Somemore » specific benchmarks used for verification and validation include the CASL VERA criticality test suite and several Westinghouse AP1000® problems. These benchmark and scaling studies show promising results.« less
Willert, Jeffrey Park, H.
2014-11-01
In this article we explore the possibility of replacing Standard Monte Carlo (SMC) transport sweeps within a Moment-Based Accelerated Thermal Radiative Transfer (TRT) algorithm with a Residual Monte Carlo (RMC) formulation. Previous Moment-Based Accelerated TRT implementations have encountered trouble when stochastic noise from SMC transport sweeps accumulates over several iterations and pollutes the low-order system. With RMC we hope to significantly lower the build-up of statistical error at a much lower cost. First, we display encouraging results for a zero-dimensional test problem. Then, we demonstrate that we can achieve a lower degree of error in two one-dimensional test problems by employing an RMC transport sweep with multiple orders of magnitude fewer particles per sweep. We find that by reformulating the high-order problem, we can compute more accurate solutions at a fraction of the cost.
Rasch, Kevin M.; Hu, Shuming; Mitas, Lubos
2014-01-28
We elucidate the origin of large differences (two-fold or more) in the fixed-node errors between the first- vs second-row systems for single-configuration trial wave functions in quantum Monte Carlo calculations. This significant difference in the valence fixed-node biases is studied across a set of atoms, molecules, and also Si, C solid crystals. We show that the key features which affect the fixed-node errors are the differences in electron density and the degree of node nonlinearity. The findings reveal how the accuracy of the quantum Monte Carlo varies across a variety of systems, provide new perspectives on the origins of the fixed-node biases in calculations of molecular and condensed systems, and carry implications for pseudopotential constructions for heavy elements.
Miura, Shinichi [Institute for Molecular Science, 38 Myodaiji, Okazaki 444-8585 (Japan)
2007-03-21
In this paper, we present a path integral hybrid Monte Carlo (PIHMC) method for rotating molecules in quantum fluids. This is an extension of our PIHMC for correlated Bose fluids [S. Miura and J. Tanaka, J. Chem. Phys. 120, 2160 (2004)] to handle the molecular rotation quantum mechanically. A novel technique referred to be an effective potential of quantum rotation is introduced to incorporate the rotational degree of freedom in the path integral molecular dynamics or hybrid Monte Carlo algorithm. For a permutation move to satisfy Bose statistics, we devise a multilevel Metropolis method combined with a configurational-bias technique for efficiently sampling the permutation and the associated atomic coordinates. Then, we have applied the PIHMC to a helium-4 cluster doped with a carbonyl sulfide molecule. The effects of the quantum rotation on the solvation structure and energetics were examined. Translational and rotational fluctuations of the dopant in the superfluid cluster were also analyzed.
Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; Mosher, Scott W.; Peplow, Douglas E.; Wagner, John C.; Evans, Thomas M.; Grove, Robert E.
2015-06-30
The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as much geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.
Particle-In-Cell/Monte Carlo Simulation of Ion Back Bombardment in Photoinjectors
Qiang, Ji; Corlett, John; Staples, John
2009-03-02
In this paper, we report on studies of ion back bombardment in high average current dc and rf photoinjectors using a particle-in-cell/Monte Carlo method. Using H{sub 2} ion as an example, we observed that the ion density and energy deposition on the photocathode in rf guns are order of magnitude lower than that in a dc gun. A higher rf frequency helps mitigate the ion back bombardment of the cathode in rf guns.
Posters Monte Carlo Simulation of Longwave Fluxes Through Broken Scattering Cloud Fields
U.S. Department of Energy (DOE) all webpages (Extended Search)
5 Posters Monte Carlo Simulation of Longwave Fluxes Through Broken Scattering Cloud Fields E. E. Takara and R. G. Ellingson University of Maryland College Park, Maryland To simplify the analysis, we made several assumptions: the clouds were cuboidal; they were all identically sized and shaped; and they had constant optical properties. Results and Discussion The model was run for a set of cloud fields with clouds of varying optical thickness and scattering albedo. The predicted effective cloud
Ibrahim, Ahmad M.; Wilson, Paul P.H.; Sawan, Mohamed E.; Mosher, Scott W.; Peplow, Douglas E.; Wagner, John C.; Evans, Thomas M.; Grove, Robert E.
2015-06-30
The CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques dramatically increase the efficiency of neutronics modeling, but their use in the accurate design analysis of very large and geometrically complex nuclear systems has been limited by the large number of processors and memory requirements for their preliminary deterministic calculations and final Monte Carlo calculation. Three mesh adaptivity algorithms were developed to reduce the memory requirements of CADIS and FW-CADIS without sacrificing their efficiency improvement. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as muchmore » geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility. Using these algorithms resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation and, additionally, increased the efficiency of the Monte Carlo simulation by a factor of at least 3.4. The three algorithms enabled this difficult calculation to be accurately solved using an FW-CADIS simulation on a regular computer cluster, eliminating the need for a world-class super computer.« less
Application of Diffusion Monte Carlo to Materials Dominated by van der Waals Interactions
Benali, Anouar; Shulenburger, Luke; Romero, Nichols A.; Kim, Jeongnim; von Lilienfeld, O. Anatole
2014-06-12
Van der Waals forces are notoriously difficult to account for from first principles. We perform extensive calculation to assess the usefulness and validity of diffusion quantum Monte Carlo when applied to van der Waals forces. We present results for noble gas solids and clusters - archetypical van der Waals dominated assemblies, as well as a relevant pi-pi stacking supramolecular complex: DNA + intercalating anti-cancer drug Ellipticine.
Prez-Andjar, Anglica [Department of Radiation Physics, Unit 1202, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 (United States)] [Department of Radiation Physics, Unit 1202, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 (United States); Zhang, Rui; Newhauser, Wayne [Department of Radiation Physics, Unit 1202, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 and The University of Texas Graduate School of Biomedical Sciences at Houston, 6767 Bertner Avenue, Houston, Texas 77030 (United States)] [Department of Radiation Physics, Unit 1202, The University of Texas MD Anderson Cancer Center, 1515 Holcombe Boulevard, Houston, Texas 77030 and The University of Texas Graduate School of Biomedical Sciences at Houston, 6767 Bertner Avenue, Houston, Texas 77030 (United States)
2013-12-15
Purpose: Stray neutron radiation is of concern after radiation therapy, especially in children, because of the high risk it might carry for secondary cancers. Several previous studies predicted the stray neutron exposure from proton therapy, mostly using Monte Carlo simulations. Promising attempts to develop analytical models have also been reported, but these were limited to only a few proton beam energies. The purpose of this study was to develop an analytical model to predict leakage neutron equivalent dose from passively scattered proton beams in the 100-250-MeV interval.Methods: To develop and validate the analytical model, the authors used values of equivalent dose per therapeutic absorbed dose (H/D) predicted with Monte Carlo simulations. The authors also characterized the behavior of the mean neutron radiation-weighting factor, w{sub R}, as a function of depth in a water phantom and distance from the beam central axis.Results: The simulated and analytical predictions agreed well. On average, the percentage difference between the analytical model and the Monte Carlo simulations was 10% for the energies and positions studied. The authors found that w{sub R} was highest at the shallowest depth and decreased with depth until around 10 cm, where it started to increase slowly with depth. This was consistent among all energies.Conclusion: Simple analytical methods are promising alternatives to complex and slow Monte Carlo simulations to predict H/D values. The authors' results also provide improved understanding of the behavior of w{sub R} which strongly depends on depth, but is nearly independent of lateral distance from the beam central axis.
SU-E-J-144: Low Activity Studies of Carbon 11 Activation Via GATE Monte Carlo
Elmekawy, A; Ewell, L; Butuceanu, C; Qu, L
2015-06-15
Purpose: To investigate the behavior of a Monte Carlo simulation code with low levels of activity (∼1,000Bq). Such activity levels are expected from phantoms and patients activated via a proton therapy beam. Methods: Three different ranges for a therapeutic proton radiation beam were examined in a Monte Carlo simulation code: 13.5, 17.0 and 21.0cm. For each range, the decay of an equivalent length{sup 11}C source and additional sources of length plus or minus one cm was studied in a benchmark PET simulation for activities of 1000, 2000 and 3000Bq. The ranges were chosen to coincide with a previous activation study, and the activities were chosen to coincide with the approximate level of isotope creation expected in a phantom or patient irradiated by a therapeutic proton beam. The GATE 7.0 simulation was completed on a cluster node, running Scientific Linux Carbon 6 (Red Hat©). The resulting Monte Carlo data were investigated with the ROOT (CERN) analysis tool. The half-life of{sup 11}C was extracted via a histogram fit to the number of simulated PET events vs. time. Results: The average slope of the deviation of the extracted carbon half life from the expected/nominal value vs. activity showed a generally positive value. This was unexpected, as the deviation should, in principal, decrease with increased activity and lower statistical uncertainty. Conclusion: For activity levels on the order of 1,000Bq, the behavior of a benchmark PET test was somewhat unexpected. It is important to be aware of the limitations of low activity PET images, and low activity Monte Carlo simulations. This work was funded in part by the Philips corporation.
The Metropolis Monte Carlo method with CUDA enabled Graphic Processing Units
Hall, Clifford; School of Physics, Astronomy, and Computational Sciences, George Mason University, 4400 University Dr., Fairfax, VA 22030 ; Ji, Weixiao; Blaisten-Barojas, Estela; School of Physics, Astronomy, and Computational Sciences, George Mason University, 4400 University Dr., Fairfax, VA 22030
2014-02-01
We present a CPU–GPU system for runtime acceleration of large molecular simulations using GPU computation and memory swaps. The memory architecture of the GPU can be used both as container for simulation data stored on the graphics card and as floating-point code target, providing an effective means for the manipulation of atomistic or molecular data on the GPU. To fully take advantage of this mechanism, efficient GPU realizations of algorithms used to perform atomistic and molecular simulations are essential. Our system implements a versatile molecular engine, including inter-molecule interactions and orientational variables for performing the Metropolis Monte Carlo (MMC) algorithm, which is one type of Markov chain Monte Carlo. By combining memory objects with floating-point code fragments we have implemented an MMC parallel engine that entirely avoids the communication time of molecular data at runtime. Our runtime acceleration system is a forerunner of a new class of CPU–GPU algorithms exploiting memory concepts combined with threading for avoiding bus bandwidth and communication. The testbed molecular system used here is a condensed phase system of oligopyrrole chains. A benchmark shows a size scaling speedup of 60 for systems with 210,000 pyrrole monomers. Our implementation can easily be combined with MPI to connect in parallel several CPU–GPU duets. -- Highlights: •We parallelize the Metropolis Monte Carlo (MMC) algorithm on one CPU—GPU duet. •The Adaptive Tempering Monte Carlo employs MMC and profits from this CPU—GPU implementation. •Our benchmark shows a size scaling-up speedup of 62 for systems with 225,000 particles. •The testbed involves a polymeric system of oligopyrroles in the condensed phase. •The CPU—GPU parallelization includes dipole—dipole and Mie—Jones classic potentials.
San Carlos Apache Tribe Energy Organization Analysis & Solar Feasibility Study
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Energy Organization Analysis & Solar Feasibility Study 2012 funded by grants from the US Department of Energy Tribal Energy Program . San Carlos Apache Mission Statement The Apache People will live a balanced life in harmony with spirituality, culture, language, and family unity in an ever-changing world and shall create a strategic framework for our tribe to grow and prosper. Reservation Boundary The Tribe and Reservation * 90 miles from Phoenix. * 2,400' to 8,300' elevation. * 1.83
Fully Differential Monte-Carlo Generator Dedicated to TMDs and Bessel-Weighted Asymmetries
Aghasyan, Mher M.; Avakian, Harut A.
2013-10-01
We present studies of double longitudinal spin asymmetries in semi-inclusive deep inelastic scattering using a new dedicated Monte Carlo generator, which includes quark intrinsic transverse momentum within the generalized parton model based on the fully differential cross section for the process. Additionally, we apply Bessel-weighting to the simulated events to extract transverse momentum dependent parton distribution functions and also discuss possible uncertainties due to kinematic correlation effects.
2014 DOE Project Management Workshop
What: 2014 DOE Project Management Workshop (Meeting the Challenge—Integrated Acquisition & Project Management)
Hart, S. W. D.; Maldonado, G. Ivan; Celik, Cihangir; Leal, Luiz C
2014-01-01
For many Monte Carlo codes cross sections are generally only created at a set of predetermined temperatures. This causes an increase in error as one moves further and further away from these temperatures in the Monte Carlo model. This paper discusses recent progress in the Scale Monte Carlo module KENO to create problem dependent, Doppler broadened, cross sections. Currently only broadening the 1D cross sections and probability tables is addressed. The approach uses a finite difference method to calculate the temperature dependent cross-sections for the 1D data, and a simple linear-logarithmic interpolation in the square root of temperature for the probability tables. Work is also ongoing to address broadening theS (alpha , beta) tables. With the current approach the temperature dependent cross sections are Doppler broadened before transport starts, and, for all but a few isotopes, the impact on cross section loading is negligible. Results can be compared with those obtained by using multigroup libraries, as KENO currently does interpolation on the multigroup cross sections to determine temperature dependent cross-sections. Current results compare favorably with these expected results.
Nonequilibrium candidate Monte Carlo: A new tool for efficient equilibrium simulation
Nilmeier, Jerome P.; Crooks, Gavin E.; Minh, David D. L.; Chodera, John D.
2011-11-08
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also rapidly sample uncorrelated configurations. Here, we introduce a new class of moves based on nonequilibrium dynamics: candidate configurations are generated through a finite-time process in which a system is actively driven out of equilibrium, and accepted with criteria that preserve the equilibrium distribution. The acceptance rule is similar to the Metropolis acceptance probability, but related to the nonequilibrium work rather than the instantaneous energy difference. Our method is applicable to sampling from both a single thermodynamic state or a mixture of thermodynamic states, and allows both coordinates and thermodynamic parameters to be driven in nonequilibrium proposals. While generating finite-time switching trajectories incurs an additional cost, driving some degrees of freedom while allowing others to evolve naturally can lead to large enhancements in acceptance probabilities, greatly reducing structural correlation times. Using nonequilibrium driven processes vastly expands the repertoire of useful Monte Carlo proposals in simulations of dense solvated systems.
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.
Concentrating Solar Power Projects | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects Concentrating Solar Power Projects
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
8 4 th Quarter Metrics Final Overall Contract and Project Management Performance Metrics and Targets Contract/Project Management Performance Metrics FY 2008 Target FY 2008 Actual Comment 1. Capital Asset Line Item Projects: 90% of projects completed within 110% of CD-2 TPC by FY11. 75% 76% This is a 3-year rolling average Data includes FY06 to FY08. (37/48) 2. EM Cleanup (Soil and Groundwater Remediation, D&D, and Waste Treatment and Disposal) Projects: 90% of EM cleanup projects complete
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
1 st Quarter Overall Contract and Project Management Performance Metrics and Targets Contract/Project Management Performance Metrics FY 2009 Target FY 2009 Actual Comment 1. Capital Asset Line Item Projects: 90% of projects completed within 110% of CD-2 TPC by FY11. 80% - No 1 st Qtr FY09 completions. This is a 3-year rolling average (FY07 to FY09). 2. EM Cleanup (Soil and Groundwater Remediation, D&D, and Waste Treatment and Disposal) Projects: 90% of EM cleanup projects complete 80% of
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
3 rd Quarter Overall Contract and Project Management Performance Metrics and Targets Contract/Project Management Performance Metrics FY 2009 Target FY 2009 Actual Comment 1. Capital Asset Line Item Projects: 90% of projects completed within 110% of CD-2 TPC by FY11. 80% 72% This is a 3-year rolling average (FY07 to FY09). No 3 rd qtr FY09 completions. 2. EM Cleanup (Soil and Groundwater Remediation, D&D, and Waste Treatment and Disposal) Projects: 90% of EM cleanup projects complete 80% of
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Second Quarter Overall Contract and Project Management Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2010 Target FY 2010 Actual FY 2010 Pre- & Post-CAP Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) 90% of projects completed within 110% of CD-2 TPC by FY11. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 85% Line Item 73% Line Item 70% Pre-CAP 100% Post-CAP This is a projection based on a 3-year rolling average (FY08 to FY10).
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Third Quarter Overall Contract and Project Management Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2010 Target FY 2010 Forecast FY 2010 Pre- & Post-CAP Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) 90% of projects completed within 110% of CD-2 TPC by FY11. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 85% Line Item 71% Line Item 70% Pre-CAP 100% Post-CAP This is a projection based on a 3-year rolling average (FY08 to FY10).
Radiation doses in cone-beam breast computed tomography: A Monte Carlo simulation study
Yi Ying; Lai, Chao-Jen; Han Tao; Zhong Yuncheng; Shen Youtao; Liu Xinming; Ge Shuaiping; You Zhicheng; Wang Tianpeng; Shaw, Chris C.
2011-02-15
Purpose: In this article, we describe a method to estimate the spatial dose variation, average dose and mean glandular dose (MGD) for a real breast using Monte Carlo simulation based on cone beam breast computed tomography (CBBCT) images. We present and discuss the dose estimation results for 19 mastectomy breast specimens, 4 homogeneous breast models, 6 ellipsoidal phantoms, and 6 cylindrical phantoms. Methods: To validate the Monte Carlo method for dose estimation in CBBCT, we compared the Monte Carlo dose estimates with the thermoluminescent dosimeter measurements at various radial positions in two polycarbonate cylinders (11- and 15-cm in diameter). Cone-beam computed tomography (CBCT) images of 19 mastectomy breast specimens, obtained with a bench-top experimental scanner, were segmented and used to construct 19 structured breast models. Monte Carlo simulation of CBBCT with these models was performed and used to estimate the point doses, average doses, and mean glandular doses for unit open air exposure at the iso-center. Mass based glandularity values were computed and used to investigate their effects on the average doses as well as the mean glandular doses. Average doses for 4 homogeneous breast models were estimated and compared to those of the corresponding structured breast models to investigate the effect of tissue structures. Average doses for ellipsoidal and cylindrical digital phantoms of identical diameter and height were also estimated for various glandularity values and compared with those for the structured breast models. Results: The absorbed dose maps for structured breast models show that doses in the glandular tissue were higher than those in the nearby adipose tissue. Estimated average doses for the homogeneous breast models were almost identical to those for the structured breast models (p=1). Normalized average doses estimated for the ellipsoidal phantoms were similar to those for the structured breast models (root mean square (rms
MHK Projects/Tensas | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
","visitedicon":"" Project Profile Project Start Date 112009 Project City Butte la Rose, LA Project StateProvince Louisiana Project Country United States Project Resource...
Radiation doses in volume-of-interest breast computed tomography—A Monte Carlo simulation study
Lai, Chao-Jen Zhong, Yuncheng; Yi, Ying; Wang, Tianpeng; Shaw, Chris C.
2015-06-15
Purpose: Cone beam breast computed tomography (breast CT) with true three-dimensional, nearly isotropic spatial resolution has been developed and investigated over the past decade to overcome the problem of lesions overlapping with breast anatomical structures on two-dimensional mammographic images. However, the ability of breast CT to detect small objects, such as tissue structure edges and small calcifications, is limited. To resolve this problem, the authors proposed and developed a volume-of-interest (VOI) breast CT technique to image a small VOI using a higher radiation dose to improve that region’s visibility. In this study, the authors performed Monte Carlo simulations to estimate average breast dose and average glandular dose (AGD) for the VOI breast CT technique. Methods: Electron–Gamma-Shower system code-based Monte Carlo codes were used to simulate breast CT. The Monte Carlo codes estimated were validated using physical measurements of air kerma ratios and point doses in phantoms with an ion chamber and optically stimulated luminescence dosimeters. The validated full cone x-ray source was then collimated to simulate half cone beam x-rays to image digital pendant-geometry, hemi-ellipsoidal, homogeneous breast phantoms and to estimate breast doses with full field scans. 13-cm in diameter, 10-cm long hemi-ellipsoidal homogeneous phantoms were used to simulate median breasts. Breast compositions of 25% and 50% volumetric glandular fractions (VGFs) were used to investigate the influence on breast dose. The simulated half cone beam x-rays were then collimated to a narrow x-ray beam with an area of 2.5 × 2.5 cm{sup 2} field of view at the isocenter plane and to perform VOI field scans. The Monte Carlo results for the full field scans and the VOI field scans were then used to estimate the AGD for the VOI breast CT technique. Results: The ratios of air kerma ratios and dose measurement results from the Monte Carlo simulation to those from the physical
Acquisition and Project Management
National Nuclear Security Administration (NNSA)
4%2A en Acquisition and Project Management Office volunteers get up-close look at Office of Secure Transportation exercise http:nnsa.energy.govblogacquisition-and-project-mana...
Office of Environmental Management (EM)
Project Execution Plan (PEP) Review Module March 2010 CD-0 O 0 OFFICE OF P C CD-1 F ENVIRO Standard R Project E Rev Critical Decis CD-2 M ONMENTAL Review Plan Execution view Module ...
U.S. Department of Energy (DOE) all webpages (Extended Search)
HTML Documents for Nuclides, A 3 - 20 The HTML for Nuclides Project is an ongoing project. HTML documents for A 3 - 20 nuclides provide HTML documents for each individual ...
Information Technology Project Management
Directives, Delegations, and Requirements [Office of Management (MA)]
2012-12-03
The Order provides program and project management direction for the acquisition and management of IT projects, investments, and initiatives. Cancels DOE G 200.1-1. Admin Chg 1 approved 1-16-2013.
The Integrated Project Team (IPT) is an essential element of the Department’s acquisition process and will be utilized during all phases of a project life cycle. The IPT is a team of professionals...
Information Technology Project Management
Directives, Delegations, and Requirements [Office of Management (MA)]
2012-12-03
The Order provides program and project management direction for the acquisition and management of IT projects, investments, and initiatives. Admin Chg 1, dated 1-16-2013, supersedes DOE O 415.1.
Metric FY 2013 Target FY 2013 Forecast FY 2013 Pre- & Post-CAP* Forecast Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and ...
Metric FY 2012 Target FY 2012 Forecast FY 2012 Pre- & Post-CAP Forecast Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and ...
The project execution plan (PEP) is the governing document that establishes the means to execute, monitor, and control projects. The plan serves as the main communication vehicle to ensure that...
Haida Corporation- 2010 Project
Office of Energy Efficiency and Renewable Energy (EERE)
The Reynolds Creek Hydroelectric Project ("Reynolds Creek" or the "Project") is a 5 MW hydroelectric resource to be constructed on Prince of Wales Island, Alaska, approximately 10 miles east of Hydaburg.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
1 st Quarter Overall Contract and Project Management Performance Metrics and Targets 1 ContractProject Management Primary Performance Metrics FY 2010 Target 1st Qtr FY 2010 Actual ...
Sandia National Laboratories: Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Projects Threat and Intelligence Insight Game-changing projects with a high degree of technical risk realized and produced in support of the warfighter Threat and Intelligence Insight Various Project Highlights IMS spearheads work supporting a number of prominent projects. Supporting the Department of Defense's core mission and ever-evolving needs, IMS leverages its robust background in weapons development to understand and actively engage with a number of weapons technologies, defense
Completed Environmental Solutions Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Environmental Solutions Projects Produced Water | Federal Lands Access | Regulatory Streamlining | Oil Refining Completed Produced Water Management Projects Project Number Project Name Primary Performer DE-NT0005227 Membrane Technology for Produced Water at Lea County, NM Lea County Government, Lovington, NM DE-FE0000833 An Integrated Water Treatment Technology Solution for Sustainable Water Resource Management in the Marcellus Shale Altela, Inc. Argonne National Laboratory DE-FE0000784
U.S. Department of Energy (DOE) all webpages (Extended Search)
Mentors, Projects Mentors and Projects Bringing together top space science students with internationally recognized researchers at Los Alamos in an educational, collaborative atmosphere Contacts Director Misa Cowee Email Administrative Assistant Lynea Koshar Email Request more information Email Students work closely with their mentors, who are Laboratory scientists, on challenging research projects in the Space Weather Summer School. Projects are related to current research topics in space
View WIPP Projects in a larger map. To report corrections, please email WeatherizationInnovation@ee.doe.gov.
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Battocletti, Liz
The GHPsRUS Project's full name is "Measuring the Costs and Benefits of Nationwide Geothermal Heat Pump Deployment." The dataset contains employment and installation price data collected by four economic surveys: (1)GHPsRUS Project Manufacturer & OEM Survey, (2) GHPsRUS Project Geothermal Loop Survey, (3) GHPsRUS Project Mechanical Equipment Installation Survey, and (4) GHPsRUS Geothermal Heat Pump Industry Survey
U.S. Department of Energy (DOE) all webpages (Extended Search)
Arizona State University 4 (PVRD) PROJECT PROFILE: Arizona State University 4 (PVRD) Project Name: Plant and Module Designs for Uniform and Reduced Operating Temperature Funding Opportunity: PVRD SunShot Subprogram: Photovoltaics Location: Tempe, AZ SunShot Award Amount: $899,316 Awardee Cost Share: $100,000 Project Investigator: Govindasamy Tamizhmani This project intends to identify and evaluate thermally conductive and radiative but electrically insulating backsheets, which can be used by the
DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]
Battocletti, Liz
2013-07-09
The GHPsRUS Project's full name is "Measuring the Costs and Benefits of Nationwide Geothermal Heat Pump Deployment." The dataset contains employment and installation price data collected by four economic surveys: (1)GHPsRUS Project Manufacturer & OEM Survey, (2) GHPsRUS Project Geothermal Loop Survey, (3) GHPsRUS Project Mechanical Equipment Installation Survey, and (4) GHPsRUS Geothermal Heat Pump Industry Survey
Red Lake Weatherization Project
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
REVIEW RED LAKE WEATHERIZATION PROJECT BERT VAN WERT ENERGY ACTIVITIES COORDINATOR Project Overview To develop the capacity to conduct energy audits Implement energy efficiency measures into Tribal homes Develop a Tribally administered Energy Efficiency Program and business PROJECT LOCATION Our project is located at Red Lake Housing Authority Red Lake Band of Chippewa Indians Red Lake , MN Red Lake Band of Chippewas Area overview Reservation (Diminished Lands) and Surroundings Red Lake Band of
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
2: Project Options 2 2 Design 1 Potential 3 Refinement 4 Implementation 2 Options 5 Operations & Maintenance 1/28/2016 2 Presentation Agenda * Step 2: Project Options * Project members and roles * Activity * Project ownership options - Interconnection, net metering, permitting, and considerations * Tools * Case in Point 3 Potential Options Refinement Implementation Operations & Maintenance 4 Step 2: Roles, Business Structures, & Regulatory Considerations Purpose: Determine ownership
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Selected Projects Oct 23, 2009 (rev. Dec. 14, 2010) 99 Projects SMART GRID INVESTMENT GRANTS Type Advanced Metering Infrastructure Customer Systems Electric Systems Distribution Electric Transmission Systems Equipment Manufacturing Integrated and/or Crosscutting Systems Circle indicates project where specific utility/area is not known.
Concentrating Solar Power Projects - Rice Solar Energy Project...
U.S. Department of Energy (DOE) all webpages (Extended Search)
Rice Solar Energy Project This page provides information on Rice Solar Energy Project, a concentrating solar power (CSP) project, with data organized by background, participants, ...
Project Reports for Pawnee Nation- 2006 Project
Office of Energy Efficiency and Renewable Energy (EERE)
The primary goal of this project is to move the energy vision of the Pawnee Nation forward by conducting specific data collection and analysis tasks to assess the viable options available to Pawnee to meet future energy needs sustainable.
Project Reports for Hualapai Tribe- 2010 Project
The project will build on the potential for renewable energy development on the Hualapai Reservation that was identified during the Phase l renewable energy resource assessment conducted by the Hualapai Tribe since 2005.
Manhattan Project app released
U.S. Department of Energy (DOE) all webpages (Extended Search)
» Manhattan Project app released At the Bradbury Latest Issue:November 2016 all issues All Issues » submit Manhattan Project app available NOW! Downloadable through iTunes June 1, 2016 The opening graphic of the Los Alamos: Secret City of the Manhattan Project app Los Alamos: Secret City of the Manhattan Project is available through iTunes for free! We let you know about it. We provided a short video so you could get a feel for what the Los Alamos: Secret City of the Manhattan Project app is
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Fourth Quarter Overall Contract and Project Management Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2010 Target FY 2010 Actual FY 2010 Pre- & Post-CAP Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) 90% of projects completed within 110% of CD-2 TPC by FY11. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 85% Line Item 69% Line Item 67% Pre-CAP 100% Post-CAP This is based on a 3-year rolling average (FY08 to FY10). TPC is Total
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
First Quarter Overall Contract and Project Management Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2011 Target FY 2011 Actual & Forecast FY 2011 Pre- & Post-CAP Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) Projects completed within 110% of CD-2 TPC. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 90% Line Item 79% Line Item 71% Pre-CAP 100% Post-CAP This is based on a 3-year rolling average (FY09 to FY11). TPC is Total
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Second Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2011 Target FY 2011 Forecast FY 2011 Pre- & Post-CAP Forecast Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) Projects completed within 110% of CD-2 TPC. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 90% Line Item 84% Line Item 78% Pre-CAP 100% Post-CAP This is based on a 3-year rolling average (FY09 to FY11). TPC
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Third Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2011 Target FY 2011 Forecast FY 2011 Pre- & Post-CAP Forecast Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) Projects completed within 110% of CD-2 TPC. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 90% Line Item 84% Line Item 78% Pre-CAP 100% Post-CAP This is based on a 3-year rolling average (FY09 to FY11). TPC is
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Fourth Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Primary Performance Metrics FY 2011 Target FY 2011 Actual FY 2011 Pre- & Post-CAP Actual Comment 1a. Capital Asset Line Item Projects: (Pre-RCA/CAP) Projects completed within 110% of CD-2 TPC. 1b. Capital Asset Line Item Projects: (Post-RCA/CAP) 90% Line Item 84% Line Item 77% Pre-CAP 100% Post-CAP This is based on a 3-year rolling average (FY09 to FY11). TPC is
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
First Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Performance Metric FY 2012 Target FY 2012 Forecast FY 2012 Pre- & Post-CAP Forecast Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and within 110% of CD-2 TPC. 90%* 84% Construction 83% Cleanup 85% 77% Pre-CAP 86% Post- CAP This is based on a 3- year rolling average (FY10 to FY12). TPC is Total Project Cost.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Second Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Performance Metric FY 2012 Target FY 2012 Forecast FY 2012 Pre- & Post-CAP Forecast Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and within 110% of CD-2 TPC. 90%* 88% Construction 87% Cleanup 89% 77% Pre-CAP 92% Post- CAP This is based on a 3- year rolling average (FY10 to FY12). TPC is Total Project Cost.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Third Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Performance Metric FY 2012 Target FY 2012 Forecast FY 2012 Pre- & Post-CAP Forecast Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and within 110% of CD-2 TPC. 90%* 87% Construction 87% Cleanup 87% 77% Pre-CAP 90% Post- CAP This is based on a 3- year rolling average (FY10 to FY12). TPC is Total Project Cost.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Fourth Quarter Overall Contract and Project Management Improvement Performance Metrics and Targets 1 Contract/Project Management Performance Metric FY 2012 Target FY 2012 Final FY 2012 Pre- & Post-CAP Final Comment Capital Asset Project Success: Complete 90% of capital asset projects at original scope and within 110% of CD-2 TPC. 90%* 86% Construction 87% Cleanup 84% 77% Pre-CAP 89% Post-CAP This is based on a 3- year rolling average (FY10 to FY12). TPC is Total Project Cost.
Read the EM Capital Asset Project List, which includes the project's name, site, current critical decision and current total project cost.
A User's Manual for MASH V1.5 - A Monte Carlo Adjoint Shielding Code System
C. O. Slater; J. M. Barnes; J. O. Johnson; J.D. Drischler
1998-10-01
The Monte Carlo ~djoint ~ielding Code System, MASH, calculates neutron and gamma- ray environments and radiation protection factors for armored military vehicles, structures, trenches, and other shielding configurations by coupling a forward discrete ordinates air- over-ground transport calculation with an adjoint Monte Carlo treatment of the shielding geometry. Efficiency and optimum use of computer time are emphasized. The code system includes the GRTUNCL and DORT codes for air-over-ground transport calculations, the MORSE code with the GIFT5 combinatorial geometry package for adjoint shielding calculations, and several peripheral codes that perform the required data preparations, transformations, and coupling functions. The current version, MASH v 1.5, is the successor to the original MASH v 1.0 code system initially developed at Oak Ridge National Laboratory (ORNL). The discrete ordinates calculation determines the fluence on a coupling surface surrounding the shielding geometry due to an external neutron/gamma-ray source. The Monte Carlo calculation determines the effectiveness of the fluence at that surface in causing a response in a detector within the shielding geometry, i.e., the "dose importance" of the coupling surface fluence. A coupling code folds the fluence together with the dose importance, giving the desired dose response. The coupling code can determine the dose response as a function of the shielding geometry orientation relative to the source, distance from the source, and energy response of the detector. This user's manual includes a short description of each code, the input required to execute the code along with some helpful input data notes, and a representative sample problem.
MHK Projects/UEK Yukon River Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
StateProvince Alaska Project Country United States Project Resource Click here Current Tidal Coordinates 64.7881, -141.2 Project Phase Phase 1 Project Details UEK is has...
Baltazor Springs Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Baltazor Springs Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Baltazor Springs Geothermal Project Project Location...
Silver State Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
State Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Silver State Geothermal Project Project Location Information Coordinates...
Panther Canyon Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Canyon Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Panther Canyon Geothermal Project Project Location Information...
Kelsey North Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
North Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Kelsey North Geothermal Project Project Location Information...
Devil's Canyon Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Canyon Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Devil's Canyon Geothermal Project Project Location Information...
Dead Horse Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Horse Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Dead Horse Geothermal Project Project Location Information...
Delcer Butte Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Butte Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Delcer Butte Geothermal Project Project Location Information...
Drum Mountain Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Mountain Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Drum Mountain Geothermal Project Project Location Information...
Puna Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Puna Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Puna Geothermal Project Project Location Information Coordinates...
Reese River Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
River Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Reese River Geothermal Project Project Location Information...
Orita 3 Geothermal Project | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
3 Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Orita 3 Geothermal Project Project Location Information Coordinates...
Shafer, J.D.; Shepard, J.R.
1997-04-01
We derive an approximate renormalization group (RG) flow equation for the local effective potential of single-component {phi}{sup 4} field theory at finite temperature. Previous zero-temperature RG equations are recovered in the low- and high-temperature limits, in the latter case, via the phenomenon of dimensional reduction. We numerically solve our RG equations to obtain local effective potentials at finite temperature. These are found to be in excellent agreement with Monte Carlo results, especially when lattice artifacts are accounted for in the RG treatment. {copyright} {ital 1997} {ital The American Physical Society}
Refinement of overlapping local/global iteration method based on Monte Carlo/p-CMFD calculations
Jo, Y.; Yun, S.; Cho, N. Z.
2013-07-01
In this paper, the overlapping local/global (OLG) iteration method based on Monte Carlo/p-CMFD calculations is refined in two aspects. One is the consistent use of estimators to generate homogenized scattering cross sections. Another is that the incident or exiting angular interval is divided into multi-angular bins to modulate albedo boundary conditions for local problems. Numerical tests show that, compared to the one angle bin case in a previous study, the four angle bin case shows significantly improved results. (authors)
Study of DCX reaction on medium nuclei with Monte-Carlo Shell Model
Wu, H. C.; Gibbs, W. R.
2010-08-04
In this work a method is introduced to calculate the DCX reaction in the framework of Monte-Carlo Shell Model (MCSM). To facilitate the use of Zero-temperature formalism of MCSM, the Double-Isobaric-Analog State (DIAS) is derived from the ground state by using isospin shifting operator. The validity of this method is tested by comparing the MCSM results to those of the SU(3) symmetry case. Application of this method to DCX on {sup 56}Fe and {sup 93}Nb is discussed.
D. L. Kelly
2007-06-01
Markov chain Monte Carlo (MCMC) techniques represent an extremely flexible and powerful approach to Bayesian modeling. This work illustrates the application of such techniques to time-dependent reliability of components with repair. The WinBUGS package is used to illustrate, via examples, how Bayesian techniques can be used for parametric statistical modeling of time-dependent component reliability. Additionally, the crucial, but often overlooked subject of model validation is discussed, and summary statistics for judging the model’s ability to replicate the observed data are developed, based on the posterior predictive distribution for the parameters of interest.
Quantized vortices in {sup 4}He droplets: A quantum Monte Carlo study
Sola, E.; Casulleras, J.; Boronat, J.
2007-08-01
We present a diffusion Monte Carlo study of a vortex line excitation attached to the center of a {sup 4}He droplet at zero temperature. The vortex energy is estimated for droplets of increasing number of atoms, from N=70 up to 300, showing a monotonous increase with N. The evolution of the core radius and its associated energy, the core energy, is also studied as a function of N. The core radius is {approx}1 A in the center and increases when approaching the droplet surface; the core energy per unit volume stabilizes at a value 2.8 K{sigma}{sup -3} ({sigma}=2.556 A) for N{>=}200.
Quantum Monte Carlo simulation of a two-dimensional Bose gas
Pilati, S.; Boronat, J.; Casulleras, J.; Giorgini, S.
2005-02-01
The equation of state of a homogeneous two-dimensional Bose gas is calculated using quantum Monte Carlo methods. The low-density universal behavior is investigated using different interatomic model potentials, both finite ranged and strictly repulsive and zero ranged, supporting a bound state. The condensate fraction and the pair distribution function are calculated as a function of the gas parameter, ranging from the dilute to the strongly correlated regime. In the case of the zero-range pseudopotential we discuss the stability of the gaslike state for large values of the two-dimensional scattering length, and we calculate the critical density where the system becomes unstable against cluster formation.
W/Z + b bbar/Jets at NLO Using the Monte Carlo MCFM
John M. Campbell
2001-05-29
We summarize recent progress in next-to-leading QCD calculations made using the Monte Carlo MCFM. In particular, we focus on the calculations of p{bar p} {r_arrow} Wb{bar b}, Zb{bar b} and highlight the significant corrections to background estimates for Higgs searches in the channels WH and ZH at the Tevatron. We also report on the current progress of, and strategies for, the calculation of the process p{bar p} {r_arrow} W/Z + 2 jets.
Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo
Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.
2014-10-01
We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, a finding in stark contrast to DAC data.
Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study
Alfonso, Dominic R.; Tafen, De Nyago
2015-04-28
The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out for the purpose of understanding the predicted trends.
Photons, Electrons and Positrons Transport in 3D by Monte Carlo Techniques
Energy Science and Technology Software Center (OSTI)
2014-12-01
Version 04 FOTELP-2014 is a new compact general purpose version of the previous FOTELP-2K6 code designed to simulate the transport of photons, electrons and positrons through three-dimensional material and sources geometry by Monte Carlo techniques, using subroutine package PENGEOM from the PENELOPE code under Linux-based and Windows OS. This new version includes routine ELMAG for electron and positron transport simulation in electric and magnetic fields, RESUME option and routine TIMER for obtaining starting random numbermore » and for measuring the time of simulation.« less
Monte Carlo simulations of channeling spectra recorded for samples containing complex defects
Jagielski, Jacek; Turos, Prof. Andrzej; Nowicki, Lech; Jozwik, P.; Shutthanandan, Vaithiyalingam; Zhang, Yanwen; Sathish, N.; Thome, Lionel; Stonert, A.; Jozwik-Biala, Iwona
2012-01-01
The aim of the present paper is to describe the current status of the development of McChasy, a Monte Carlo simulation code, to make it suitable for the analysis of dislocations and dislocation loops in crystals. Such factors like the shape of the bent channel and geometrical distortions of the crystalline structure in the vicinity of dislocation has been discussed. The results obtained demonstrate that the new procedure applied to the spectra recorded on crystals containing dislocation yields damage profiles which are independent of the energy of the analyzing beam.
Monte Carlo simulations of channeling spectra recorded for samples containing complex defects
Jagielski, Jacek K.; Turos, Andrzej W.; Nowicki, L.; Jozwik, Przemyslaw A.; Shutthanandan, V.; Zhang, Yanwen; Sathish, N.; Thome, Lionel; Stonert, A.; Jozwik Biala, Iwona
2012-02-15
The main aim of the present paper is to describe the current status of the development of McChasy, a Monte Carlo simulation code, to make it suitable for the analysis of dislocations and dislocation loops in crystals. Such factors like the shape of the bent channel and geometrical distortions of the crystalline structure in the vicinity of dislocation has been discussed. Several examples of the analysis performed at different energies of analyzing ions are presented. The results obtained demonstrate that the new procedure applied to the spectra recorded on crystals containing dislocation yields damage profiles which are independent of the energy of the analyzing beam.
Perera, Meewanage Dilina N; Li, Ying Wai; Eisenbach, Markus; Vogel, Thomas; Landau, David P
2015-01-01
We describe the study of thermodynamics of materials using replica-exchange Wang Landau (REWL) sampling, a generic framework for massively parallel implementations of the Wang Landau Monte Carlo method. To evaluate the performance and scalability of the method, we investigate the magnetic phase transition in body-centered cubic (bcc) iron using the classical Heisenberg model parameterized with first principles calculations. We demonstrate that our framework leads to a significant speedup without compromising the accuracy and precision and facilitates the study of much larger systems than is possible with its serial counterpart.
Exponentially-convergent Monte Carlo for the 1-D transport equation
Peterson, J. R.; Morel, J. E.; Ragusa, J. C.
2013-07-01
We define a new exponentially-convergent Monte Carlo method for solving the one-speed 1-D slab-geometry transport equation. This method is based upon the use of a linear discontinuous finite-element trial space in space and direction to represent the transport solution. A space-direction h-adaptive algorithm is employed to restore exponential convergence after stagnation occurs due to inadequate trial-space resolution. This methods uses jumps in the solution at cell interfaces as an error indicator. Computational results are presented demonstrating the efficacy of the new approach. (authors)
Monte Carlo generators for studies of the 3D structure of the nucleon
Avakian, Harut; D'Alesio, U.; Murgia, F.
2015-01-23
In this study, extraction of transverse momentum and space distributions of partons from measurements of spin and azimuthal asymmetries requires development of a self consistent analysis framework, accounting for evolution effects, and allowing control of systematic uncertainties due to variations of input parameters and models. Development of realistic Monte-Carlo generators, accounting for TMD evolution effects, spin-orbit and quark-gluon correlations will be crucial for future studies of quark-gluon dynamics in general and 3D structure of the nucleon in particular.
Neutron matter with Quantum Monte Carlo: chiral 3N forces and static response
Buraczynski, M.; Gandolfi, S.; Gezerlis, A.; Schwenk, A.; Tews, I.
2016-03-01
Neutron matter is related to the physics of neutron stars and that of neutron-rich nuclei. Moreover, Quantum Monte Carlo (QMC) methods offer a unique way of solving the many-body problem non-perturbatively, providing feedback on features of nuclear interactions and addressing scenarios that are inaccessible to other approaches. Our contribution goes over two recent accomplishments in the theory of neutron matter: a) the fusing of QMC with chiral effective field theory interactions, focusing on local chiral 3N forces, and b) the first attempt to find an ab initio solution to the problem of static response.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
2008 - 2011 Energy Program Review & 2011 - 2012 ENERGY ORGANIZATION ANALYSIS Burden Basket San Carlos Apache Mission Statement The Apache People will live a balanced life in harmony with spirituality, culture, language, and family unity in an ever-changing world. The Apache People shall create a strategic framework for our tribe to grow and prosper. The Tribe and Reservation * 90 miles east of Phoenix. * 2,400' to 8,300'+. * 1.83 million acres. * 800,000+ acres wooded/forested. * 1M ac.
Y-12 Steam Plant Project Received National Recognition for Project
National Nuclear Security Administration (NNSA)
Management Excellence | National Nuclear Security Administration | (NNSA) Steam Plant Project Received National Recognition for Project Management Excellence March 23, 2011 Y-12 steam plant project receives national recognition for project management excellence. Y-12's Steam Plant Life Extension Project (SPLE) has received the Secretary of Energy's Project Management Improvement Award. Microsoft Office document icon NR-03-28
The CHPRC Columbia River Protection Project Quality Assurance Project Plan
Fix, N. J.
2008-11-30
Pacific Northwest National Laboratory researchers are working on the CHPRC Columbia River Protection Project (hereafter referred to as the Columbia River Project). This is a follow-on project, funded by CH2M Hill Plateau Remediation Company, LLC (CHPRC), to the Fluor Hanford, Inc. Columbia River Protection Project. The work scope consists of a number of CHPRC funded, related projects that are managed under a master project (project number 55109). All contract releases associated with the Fluor Hanford Columbia River Project (Fluor Hanford, Inc. Contract 27647) and the CHPRC Columbia River Project (Contract 36402) will be collected under this master project. Each project within the master project is authorized by a CHPRC contract release that contains the project-specific statement of work. This Quality Assurance Project Plan provides the quality assurance requirements and processes that will be followed by the Columbia River Project staff.
River Protection Project (RPP) Project Management Plan
SEEMAN, S.E.
2000-04-01
The U.S. Department of Energy (DOE), in accordance with the Strom Thurmond National Defense Authorization Act for Fiscal Year 1999, established the Office of River Protection (ORP) to successfully execute and manage the River Protection Project (RPP), formerly known as the Tank Waste Remediation System (TWRS). The mission of the RPP is to store, retrieve, treat, and dispose of the highly radioactive Hanford tank waste in an environmentally sound, safe, and cost-effective manner. The team shown in Figure 1-1 is accomplishing the project. The ORP is providing the management and integration of the project; the Tank Farm Contractor (TFC) is responsible for providing tank waste storage, retrieval, and disposal; and the Privatization Contractor (PC) is responsible for providing tank waste treatment.
Pistole, C.O.
1995-11-01
One of the most difficult hurdles facing small project developers is obtaining financing. Many major banks and institutional investors are unwilling to become involved in projects valued at less than $25 million. To gain the interest of small project investors, developers will want to present a well-considered plan and an attractive rate of return. Waste-to-energy projects are one type that can offer diversified revenue sources that assure maximum profitability. The Ripe Touch Greenhouse project, a $14.5 million waste tire-to-energy facility in Colorado, provides a case study of how combining the strengths of the project partners can help gain community and regulatory acceptance and maximize profit opportunities.
Battleground Energy Recovery Project
Daniel Bullock
2011-12-31
In October 2009, the project partners began a 36-month effort to develop an innovative, commercial-scale demonstration project incorporating state-of-the-art waste heat recovery technology at Clean Harbors, Inc., a large hazardous waste incinerator site located in Deer Park, Texas. With financial support provided by the U.S. Department of Energy, the Battleground Energy Recovery Project was launched to advance waste heat recovery solutions into the hazardous waste incineration market, an area that has seen little adoption of heat recovery in the United States. The goal of the project was to accelerate the use of energy-efficient, waste heat recovery technology as an alternative means to produce steam for industrial processes. The project had three main engineering and business objectives: Prove Feasibility of Waste Heat Recovery Technology at a Hazardous Waste Incinerator Complex; Provide Low-cost Steam to a Major Polypropylene Plant Using Waste Heat; and ? Create a Showcase Waste Heat Recovery Demonstration Project.
Project Reports for Hualapai Tribe- 2005 Project
Office of Energy Efficiency and Renewable Energy (EERE)
The Hualapai Tribe is located on the end of their existing utility grid which has subjected them to high costs and poor reliability of electric service. The first phase of the project will establish a tribally operated utility to provide service to tribal customers at Grand Canyon West, which has been operating without grid power for the past seven years. The second phase of the project will examine the feasibility and strategy for establishing a tribal utility to serve the remainder of the Hualapai Reservation.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Campo Net Meter Project Michael Connolly Miskwish, MA Economist/Engineer Campo Kumeyaay Nation Location map Tribal Energy Planning Current 50 MW project Proposed 160 MW project DOE energy grant Land use planning, renewable energy zones overlay Economic analysis Transmission, queue, PPA Energy Resource Agreement analysis Tribal Net meter turbine planning California SGIP program Self Generation Incentive Program Requires utilities to allow net metering
Microwave solidification project overview
Sprenger, G.
1993-01-01
The Rocky Flats Plant Microwave Solidification Project has application potential to the Mixed Waste Treatment Project and the The Mixed Waste Integrated Program. The technical areas being addressed include (1) waste destruction and stabilization; (2) final waste form; and (3) front-end waste handling and feed preparation. This document covers need for such a program; technology description; significance; regulatory requirements; and accomplishments to date. A list of significant reports published under this project is included.
PROJECT MANGEMENT PLAN EXAMPLES
Office of Environmental Management (EM)
Safety Integration - Implementation of Controls Examples Example 24 5 Health & Safety This section describes the work controls associated with the 771/774 Closure Project. As prescribed in DOE Order 440.1, Worker Protection Management for DOE Federal and Contractor Employees, the project must comply with the OSHA construction standards for Hazardous Waste Operations and Emergency Response, 29 CFR 1910.120 and 1926. Under these standards, a Building 771/774 Closure Project-Specific HASP has
U.S. Department of Energy (DOE) all webpages (Extended Search)
Funding for CSES Projects Funding for CSES Projects High quality, cutting-edge science in the areas of astrophysics, space physics, solid planetary geoscience, and climate science Contact Director Reiner Friedel (505) 665-1936 Email Professional Staff Assistant Georgia D. Sanchez (505) 665-0855 Email CSES Student and Postdoctoral Fellow Program Funding intervals are based on the federal fiscal year spanning the year from October 1 through September 30 of the following year. For all projects
NREL: Geothermal Technologies - Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Projects The NREL geothermal team is involved in various projects to help accelerate the development and deployment of clean, renewable geothermal technologies, including low-temperature resources; enhanced geothermal systems; strategic planning, analysis, and modeling; and project assessment. Low-Temperature Geothermal Resources NREL supports the U.S. Department of Energy's (DOE) Geothermal Technologies Office (GTO) through various collaborations that evaluate the levelized cost of electricity
NREL: Transportation Research - Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Projects Illustration of aerodynamic light-, medium, and heavy-duty vehicles. NREL research helps optimize the energy efficiency of a wide range of vehicle technologies and applications. NREL's innovative transportation research, development, and deployment projects accelerate widespread adoption of high-performance, low-emission, energy-efficient passenger and freight vehicles, as well as alternative fuels and related infrastructure. The following NREL transportation projects are propelling
Operational Waste Volume Projection
STRODE, J.N.
2000-08-28
Waste receipts to the double-shell tank system are analyzed and wastes through the year 2015 are projected based on generation trends of the past 12 months. A computer simulation of site operations is performed, which results in projections of tank fill schedules, tank transfers, evaporator operations, tank retrieval, and aging waste tank usage. This projection incorporates current budget planning and the clean-up schedule of the Tri-Party Agreement. Assumptions were current as of June. 2000.
Operational Waste Volume Projection
STRODE, J.N.
1999-08-24
Waste receipts to the double-shell tank system are analyzed and wastes through the year 2018 are projected based on assumption as of July 1999. A computer simulation of site operations is performed, which results in projections of tank fill schedules, tank transfers, evaporator operations, tank retrieval, and aging waste tank usage. This projection incorporates current budget planning and the clean-up schedule of the Tri-Party Agreement.
Enhancements in Continuous-Energy Monte Carlo Capabilities for SCALE 6.2
Rearden, Bradley T; Petrie Jr, Lester M; Peplow, Douglas E.; Bekar, Kursat B; Wiarda, Dorothea; Celik, Cihangir; Perfetti, Christopher M; Dunn, Michael E
2014-01-01
SCALE is a widely used suite of tools for nuclear systems modeling and simulation that provides comprehensive, verified and validated, user-friendly capabilities for criticality safety, reactor physics, radiation shielding, and sensitivity and uncertainty analysis. For more than 30 years, regulators, industry, and research institutions around the world have used SCALE for nuclear safety analysis and design. SCALE provides a plug-and-play framework that includes three deterministic and three Monte Carlo radiation transport solvers that are selected based on the desired solution. SCALE includes the latest nuclear data libraries for continuous-energy and multigroup radiation transport as well as activation, depletion, and decay calculations. SCALE s graphical user interfaces assist with accurate system modeling, visualization, and convenient access to desired results. SCALE 6.2 provides several new capabilities and significant improvements in many existing features, especially with expanded continuous-energy Monte Carlo capabilities for criticality safety, shielding, depletion, sensitivity and uncertainty analysis, and improved fidelity in nuclear data libraries. A brief overview of SCALE capabilities is provided with emphasis on new features for SCALE 6.2.
A Deterministic-Monte Carlo Hybrid Method for Time-Dependent Neutron Transport Problems
Justin Pounders; Farzad Rahnema
2001-10-01
A new deterministic-Monte Carlo hybrid solution technique is derived for the time-dependent transport equation. This new approach is based on dividing the time domain into a number of coarse intervals and expanding the transport solution in a series of polynomials within each interval. The solutions within each interval can be represented in terms of arbitrary source terms by using precomputed response functions. In the current work, the time-dependent response function computations are performed using the Monte Carlo method, while the global time-step march is performed deterministically. This work extends previous work by coupling the time-dependent expansions to space- and angle-dependent expansions to fully characterize the 1D transport response/solution. More generally, this approach represents and incremental extension of the steady-state coarse-mesh transport method that is based on global-local decompositions of large neutron transport problems. An example of a homogeneous slab is discussed as an example of the new developments.
Surface Structures of Cubo-octahedral Pt-Mo Catalyst Nanoparticles from Monte Carlo Simulations
Wang, Guofeng; Van Hove, M.A.; Ross, P.N.; Baskes, M.I.
2005-03-31
The surface structures of cubo-octahedral Pt-Mo nanoparticles have been investigated using the Monte Carlo method and modified embedded atom method potentials that we developed for Pt-Mo alloys. The cubo-octahedral Pt-Mo nanoparticles are constructed with disordered fcc configurations, with sizes from 2.5 to 5.0 nm, and with Pt concentrations from 60 to 90 at. percent. The equilibrium Pt-Mo nanoparticle configurations were generated through Monte Carlo simulations allowing both atomic displacements and element exchanges at 600 K. We predict that the Pt atoms weakly segregate to the surfaces of such nanoparticles. The Pt concentrations in the surface are calculated to be 5 to 14 at. percent higher than the Pt concentrations of the nanoparticles. Moreover, the Pt atoms preferentially segregate to the facet sites of the surface, while the Pt and Mo atoms tend to alternate along the edges and vertices of these nanoparticles. We found that decreasing the size or increasing the Pt concentration leads to higher Pt concentrations but fewer Pt-Mo pairs in the Pt-Mo nanoparticle surfaces.
MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package
Lin, J. Y. Y.; Smith, Hillary L.; Granroth, Garrett E.; Abernathy, Douglas L.; Lumsden, Mark D.; Winn, Barry L.; Aczel, Adam A.; Aivazis, Michael; Fultz, Brent
2015-11-28
MCViNE (Monte-Carlo VIrtual Neutron Experiment) is an open-source Monte Carlo (MC) neutron ray-tracing software for performing computer modeling and simulations that mirror real neutron scattering experiments. We exploited the close similarity between how instrument components are designed and operated and how such components can be modeled in software. For example we used object oriented programming concepts for representing neutron scatterers and detector systems, and recursive algorithms for implementing multiple scattering. Combining these features together in MCViNE allows one to handle sophisticated neutron scattering problems in modern instruments, including, for example, neutron detection by complex detector systems, and single and multiplemore » scattering events in a variety of samples and sample environments. In addition, MCViNE can use simulation components from linear-chain-based MC ray tracing packages which facilitates porting instrument models from those codes. Furthermore it allows for components written solely in Python, which expedites prototyping of new components. These developments have enabled detailed simulations of neutron scattering experiments, with non-trivial samples, for time-of-flight inelastic instruments at the Spallation Neutron Source. Examples of such simulations for powder and single-crystal samples with various scattering kernels, including kernels for phonon and magnon scattering, are presented. As a result, with simulations that closely reproduce experimental results, scattering mechanisms can be turned on and off to determine how they contribute to the measured scattering intensities, improving our understanding of the underlying physics.« less
Burke, TImothy P.; Kiedrowski, Brian C.; Martin, William R.; Brown, Forrest B.
2015-11-19
Kernel Density Estimators (KDEs) are a non-parametric density estimation technique that has recently been applied to Monte Carlo radiation transport simulations. Kernel density estimators are an alternative to histogram tallies for obtaining global solutions in Monte Carlo tallies. With KDEs, a single event, either a collision or particle track, can contribute to the score at multiple tally points with the uncertainty at those points being independent of the desired resolution of the solution. Thus, KDEs show potential for obtaining estimates of a global solution with reduced variance when compared to a histogram. Previously, KDEs have been applied to neutronics for one-group reactor physics problems and fixed source shielding applications. However, little work was done to obtain reaction rates using KDEs. This paper introduces a new form of the MFP KDE that is capable of handling general geometries. Furthermore, extending the MFP KDE to 2-D problems in continuous energy introduces inaccuracies to the solution. An ad-hoc solution to these inaccuracies is introduced that produces errors smaller than 4% at material interfaces.
A Coupled Neutron-Photon 3-D Combinatorial Geometry Monte Carlo Transport Code
Energy Science and Technology Software Center (OSTI)
1998-06-12
TART97 is a coupled neutron-photon, 3 dimensional, combinatorial geometry, time dependent Monte Carlo transport code. This code can run on any modern computer. It is a complete system to assist you with input preparation, running Monte Carlo calculations, and analysis of output results. TART97 is also incredibly fast: if you have used similar codes, you will be amazed at how fast this code is compared to other similar codes. Use of the entire system canmore » save you a great deal of time and energy. TART 97 is distributed on CD. This CD contains on-line documentation for all codes included in the system, the codes configured to run on a variety of computers, and many example problems that you can use to familiarize yourself with the system. TART97 completely supersedes all older versions of TART, and it is strongly recommended that users only use the most recent version of TART97 and ist data files.« less
Massively parallel Monte Carlo for many-particle simulations on GPUs
Anderson, Joshua A.; Jankowski, Eric; Grubb, Thomas L.; Engel, Michael; Glotzer, Sharon C.
2013-12-01
Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little attention because of the inherent serial nature of the statistical sampling. In this paper, we present a massively parallel method that obeys detailed balance and implement it for a system of hard disks on the GPU. We reproduce results of serial high-precision Monte Carlo runs to verify the method. This is a good test case because the hard disk equation of state over the range where the liquid transforms into the solid is particularly sensitive to small deviations away from the balance conditions. On a Tesla K20, our GPU implementation executes over one billion trial moves per second, which is 148 times faster than on a single Intel Xeon E5540 CPU core, enables 27 times better performance per dollar, and cuts energy usage by a factor of 13. With this improved performance we are able to calculate the equation of state for systems of up to one million hard disks. These large system sizes are required in order to probe the nature of the melting transition, which has been debated for the last forty years. In this paper we present the details of our computational method, and discuss the thermodynamics of hard disks separately in a companion paper.
An Evaluation of Monte Carlo Simulations of Neutron Multiplicity Measurements of Plutonium Metal
Mattingly, John; Miller, Eric; Solomon, Clell J. Jr.; Dennis, Ben; Meldrum, Amy; Clarke, Shaun; Pozzi, Sara
2012-06-21
In January 2009, Sandia National Laboratories conducted neutron multiplicity measurements of a polyethylene-reflected plutonium metal sphere. Over the past 3 years, those experiments have been collaboratively analyzed using Monte Carlo simulations conducted by University of Michigan (UM), Los Alamos National Laboratory (LANL), Sandia National Laboratories (SNL), and North Carolina State University (NCSU). Monte Carlo simulations of the experiments consistently overpredict the mean and variance of the measured neutron multiplicity distribution. This paper presents a sensitivity study conducted to evaluate the potential sources of the observed errors. MCNPX-PoliMi simulations of plutonium neutron multiplicity measurements exhibited systematic over-prediction of the neutron multiplicity distribution. The over-prediction tended to increase with increasing multiplication. MCNPX-PoliMi had previously been validated against only very low multiplication benchmarks. We conducted sensitivity studies to try to identify the cause(s) of the simulation errors; we eliminated the potential causes we identified, except for Pu-239 {bar {nu}}. A very small change (-1.1%) in the Pu-239 {bar {nu}} dramatically improved the accuracy of the MCNPX-PoliMi simulation for all 6 measurements. This observation is consistent with the trend observed in the bias exhibited by the MCNPX-PoliMi simulations: a very small error in {bar {nu}} is 'magnified' by increasing multiplication. We applied a scalar adjustment to Pu-239 {bar {nu}} (independent of neutron energy); an adjustment that depends on energy is probably more appropriate.
O'Brien, M. J.; Brantley, P. S.
2015-01-20
In order to run Monte Carlo particle transport calculations on new supercomputers with hundreds of thousands or millions of processors, care must be taken to implement scalable algorithms. This means that the algorithms must continue to perform well as the processor count increases. In this paper, we examine the scalability of:(1) globally resolving the particle locations on the correct processor, (2) deciding that particle streaming communication has finished, and (3) efficiently coupling neighbor domains together with different replication levels. We have run domain decomposed Monte Carlo particle transport on up to 2^{21} = 2,097,152 MPI processes on the IBM BG/Q Sequoia supercomputer and observed scalable results that agree with our theoretical predictions. These calculations were carefully constructed to have the same amount of work on every processor, i.e. the calculation is already load balanced. We also examine load imbalanced calculations where each domain’s replication level is proportional to its particle workload. In this case we show how to efficiently couple together adjacent domains to maintain within workgroup load balance and minimize memory usage.
Ibrahim, Ahmad M; Wilson, P.; Sawan, M.; Mosher, Scott W; Peplow, Douglas E.; Grove, Robert E
2013-01-01
Three mesh adaptivity algorithms were developed to facilitate and expedite the use of the CADIS and FW-CADIS hybrid Monte Carlo/deterministic techniques in accurate full-scale neutronics simulations of fusion energy systems with immense sizes and complicated geometries. First, a macromaterial approach enhances the fidelity of the deterministic models without changing the mesh. Second, a deterministic mesh refinement algorithm generates meshes that capture as much geometric detail as possible without exceeding a specified maximum number of mesh elements. Finally, a weight window coarsening algorithm decouples the weight window mesh and energy bins from the mesh and energy group structure of the deterministic calculations in order to remove the memory constraint of the weight window map from the deterministic mesh resolution. The three algorithms were used to enhance an FW-CADIS calculation of the prompt dose rate throughout the ITER experimental facility and resulted in a 23.3% increase in the number of mesh tally elements in which the dose rates were calculated in a 10-day Monte Carlo calculation. Additionally, because of the significant increase in the efficiency of FW-CADIS simulations, the three algorithms enabled this difficult calculation to be accurately solved on a regular computer cluster, eliminating the need for a world-class super computer.
Berg, John M.; Veirs, D. Kirk; Vaughn, Randolph B.; Cisneros, Michael R.; Smith, Coleman A.
2000-06-01
Standard modeling approaches can produce the most likely values of the formation constants of metal-ligand complexes if a particular set of species containing the metal ion is known or assumed to exist in solution equilibrium with complexing ligands. Identifying the most likely set of species when more than one set is plausible is a more difficult problem to address quantitatively. A Monte Carlo method of data analysis is described that measures the relative abilities of different speciation models to fit optical spectra of open-shell actinide ions. The best model(s) can be identified from among a larger group of models initially judged to be plausible. The method is demonstrated by analyzing the absorption spectra of aqueous Pu(IV) titrated with nitrate ion at constant 2 molal ionic strength in aqueous perchloric acid. The best speciation model supported by the data is shown to include three Pu(IV) species with nitrate coordination numbers 0, 1, and 2. Formation constants are {beta}{sub 1}=3.2{+-}0.5 and {beta}{sub 2}=11.2{+-}1.2, where the uncertainties are 95% confidence limits estimated by propagating raw data uncertainties using Monte Carlo methods. Principal component analysis independently indicates three Pu(IV) complexes in equilibrium. (c) 2000 Society for Applied Spectroscopy.
Monte Carlo analysis of neutron slowing-down-time spectrometer for fast reactor spent fuel assay
Chen, Jianwei; Lineberry, Michael
2007-07-01
Using the neutron slowing-down-time method as a nondestructive assay tool to improve input material accountancy for fast reactor spent fuel reprocessing is under investigation at Idaho State University. Monte Carlo analyses were performed to simulate the neutron slowing down process in different slowing down spectrometers, namely, lead and graphite, and determine their main parameters. {sup 238}U threshold fission chamber response was simulated in the Monte Carlo model to represent the spent fuel assay signals, the signature (fission/time) signals of {sup 235}U, {sup 239}Pu, and {sup 241}Pu were simulated as a convolution of fission cross sections and neutron flux inside the spent fuel. {sup 238}U detector signals were analyzed using linear regression model based on the signatures of fissile materials in the spent fuel to determine weight fractions of fissile materials in the Advanced Burner Test Reactor spent fuel. The preliminary results show even though lead spectrometer showed a better assay performance than graphite, graphite spectrometer could accurately determine weight fractions of {sup 239}Pu and {sup 241}Pu given proper assay energy range were chosen. (authors)
Energy density matrix formalism for interacting quantum systems: a quantum Monte Carlo study
Krogel, Jaron T; Kim, Jeongnim; Reboredo, Fernando A
2014-01-01
We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number density and occupation numbers, the energy density matrix yields the energy density and orbital occupation energies. The eigenvectors of the matrix provide a natural orbital partitioning of the energy density while the eigenvalues comprise a single particle energy spectrum obeying a total energy sum rule. For mean-field systems the energy density matrix recovers the exact spectrum. When correlation becomes important, the occupation energies resemble quasiparticle energies in some respects. We explore the occupation energy spectrum for the finite 3D homogeneous electron gas in the metallic regime and an isolated oxygen atom with ground state quantum Monte Carlo techniques imple- mented in the QMCPACK simulation code. The occupation energy spectrum for the homogeneous electron gas can be described by an effective mass below the Fermi level. Above the Fermi level evanescent behavior in the occupation energies is observed in similar fashion to the occupation numbers of the 1RDM. A direct comparison with total energy differences demonstrates a quantita- tive connection between the occupation energies and electron addition and removal energies for the electron gas. For the oxygen atom, the association between the ground state occupation energies and particle addition and removal energies becomes only qualitative. The energy density matrix provides a new avenue for describing energetics with quantum Monte Carlo methods which have traditionally been limited to total energies.
MCViNE- An object oriented Monte Carlo neutron ray tracing simulation package
Lin, J. Y. Y.; Smith, Hillary L.; Granroth, Garrett E.; Abernathy, Douglas L.; Lumsden, Mark D.; Winn, Barry L.; Aczel, Adam A.; Aivazis, Michael; Fultz, Brent
2015-11-28
MCViNE (Monte-Carlo VIrtual Neutron Experiment) is an open-source Monte Carlo (MC) neutron ray-tracing software for performing computer modeling and simulations that mirror real neutron scattering experiments. We exploited the close similarity between how instrument components are designed and operated and how such components can be modeled in software. For example we used object oriented programming concepts for representing neutron scatterers and detector systems, and recursive algorithms for implementing multiple scattering. Combining these features together in MCViNE allows one to handle sophisticated neutron scattering problems in modern instruments, including, for example, neutron detection by complex detector systems, and single and multiple scattering events in a variety of samples and sample environments. In addition, MCViNE can use simulation components from linear-chain-based MC ray tracing packages which facilitates porting instrument models from those codes. Furthermore it allows for components written solely in Python, which expedites prototyping of new components. These developments have enabled detailed simulations of neutron scattering experiments, with non-trivial samples, for time-of-flight inelastic instruments at the Spallation Neutron Source. Examples of such simulations for powder and single-crystal samples with various scattering kernels, including kernels for phonon and magnon scattering, are presented. As a result, with simulations that closely reproduce experimental results, scattering mechanisms can be turned on and off to determine how they contribute to the measured scattering intensities, improving our understanding of the underlying physics.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
the period of the project * Utilize smart city initiatives to create a scalable, ... Problem Statement: Envision Charlotte was very successful during the Smart Energy Now ...
Aalseth, Craig E.; Amman, M.; Amsbaugh, John F.; Avignone, F. T.; Back, Henning O.; Barabash, Alexander; Barbeau, P. S.; Beene, Jim; Bergevin, M.; Bertrand, F.; Boswell, M.; Brudanin, V.; Bugg, William; Burritt, Tom H.; Busch, Matthew; Capps, Greg L.; Chan, Yuen-Dat; Collar, J. I.; Cooper, R. J.; Creswick, R.; Detwiler, Jason A.; Doe, P. J.; Efremenko, Yuri; Egorov, Viatcheslav; Ejiri, H.; Elliott, S. R.; Ely, James H.; Esterline, James H.; Farach, H. A.; Fast, James E.; Fields, N.; Finnerty, P.; Fujikawa, Brian; Fuller, Erin S.; Gehman, Victor M.; Giovanetti, G. K.; Guiseppe, Vincente; Gusey, K.; Hallin, A. L.; Hazama, R.; Henning, Reyco; Hime, Andrew; Hoppe, Eric W.; Hossbach, Todd W.; Howe, M. A.; Johnson, R. A.; Keeter, K.; Keillor, Martin E.; Keller, C.; Kephart, Jeremy; Kidd, M. F.; Kochetov, Oleg; Konovalov, S.; Kouzes, Richard T.; Leviner, L.; Loach, J. C.; Luke, P.; MacMullin, S.; Marino, Michael G.; Martin, R. D.; Mei, Dong-Ming; Miley, Harry S.; Miller, M. L.; Mizouni, Leila; Montoya, A.; Myers, Allan W.; Nomachi, Masaharu; Orrell, John L.; Phillips, D.; Poon, Alan; Prior, Gersende; Qian, J.; Radford, D. C.; Rielage, Keith; Robertson, R. G. H.; Rodriguez, Larry; Rykaczewski, Krzysztof P.; Schubert, Alexis G.; Shima, T.; Shirchenko, M.; Steele, David; Strain, J.; Swift, Gary; Thomas, K.; Thompson, Rachel B.; Timkin, V.; Tornow, W.; Van Wechel, T. D.; Vanyushin, I.; Vetter, Kai; Warner, Ray A.; Wilkerson, J. F.; Wouters, Jan; Yakushev, E.; Young, A.; Yu, Chang-Hong; Yumatov, Vladimir; Zhang, C.; Zimmerman, S.
2010-10-01
The MAJORANA project, a neutrinoless double-beta decay experiment is described with an emphasis on the choice of Ge-detector configuration.
U.S. Department of Energy (DOE) all webpages (Extended Search)
Hybrid Quantum-Classical Computing POC: Rolando Somma Description: The main goal of this project is to investigate and exploit the performance potential of physically realizable ...
Ethan Chabora GeothermEx, a Schlumberger Company Ezra Zemach Ormat Nevada Inc. ... Collaborations * Project Leader: Ormat Nevada, Inc. - Co-Management: GeothermEx, Inc. - ...
Wang, Qiang; Dandy, David S.
2015-05-15
This is the final technical report of the DOE project DE-FG02-07ER46448 awarded to Colorado State University.
Office of Environmental Management (EM)
Village Wind Projects By Meera Kohler Alaska Village Electric Cooperative Tribal Energy Conference Denver, Colorado October 28, 2010 New turbines in Hooper Bay AVEC is a ...
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
... Feasibility Projects (Selected in FY2002) * Bristol Bay Native Corporation (AK) * Cherokee Nation (OK) * Lower Brule Sioux Tribe (SD) * Shoshone Paiute Tribes (NV) * St. Croix ...
NREL: Biomass Research - Projects
U.S. Department of Energy (DOE) all webpages (Extended Search)
Spectrometer analyzes vapors during the gasification and pyrolysis processes. NREL's biomass projects are designed to advance the production of liquid transportation fuels from...
National Nuclear Security Administration (NNSA)
The BOTE project would involve multiple releases of a biological simulant, characterization sampling, decontamination, and clearance sampling, at the Idaho National Laboratory ...
U.S. Department of Energy (DOE) all webpages (Extended Search)
which may, in certain circumstances, require several months to implement after the start of the fiscal year. For all projects supported with Los Alamos National Laboratory...
Custom Renewable Energy Projects
Project development assistance funding is available for a variety of purposes, including grant writing, feasibility studies, or technical assistance with design, permitting, or utility interconne...
U.S. Department of Energy (DOE) all webpages (Extended Search)
BPA on 242015 and does not contain Agency-approved Financial Information. 1 Includes capital projects authorized at the agency level since August 2007 2 Direct capital costs...
U.S. Department of Energy (DOE) all webpages (Extended Search)
BPA on 622014 and does not contain Agency-approved Financial Information. 1 Includes capital projects authorized at the agency level since August 2007 2 Direct capital costs...
U.S. Department of Energy (DOE) all webpages (Extended Search)
on 1142014 and does not contain Agency-approved Financial Information. 1 Includes capital projects authorized at the agency level since August 2007 2 Direct capital costs...
U.S. Department of Energy (DOE) all webpages (Extended Search)
on 2112014 and does not contain Agency-approved Financial Information. 1 Includes capital projects authorized at the agency level since August 2007 2 Direct capital costs...
With this award, the Penobscot Indian Nation will advance the preconstruction activities required to secure funding for the proposed 227-megawatt (MW) Alder Stream wind project.
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Cooperation Project Title: CountryOrganizations: Foreign: Foreign POC: U.S: U.S. POC: Technology Area: Scope of Collaborative Research and Development: Justification of Approach: ...
Projects | Department of Energy
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
Projects Projects Between 2010 and 2016, the Office of Indian Energy co-funded the deployment of 43 tribal energy project valued at more than $70 million. For more highlights of DOEâs investment in tribal communities, check out this infographic. Between 2010 and 2016, the Office of Indian Energy co-funded the deployment of 43 tribal energy project valued at more than $70 million. For more highlights of DOE's investment in tribal communities, check out this infographic. The U.S. Department
National Nuclear Security Administration (NNSA)
project, to be managed through the U.S. Air Force (USAF) Operationally Responsive Space (ORS) Office. Sandia Site Office Missile System LEONIDAS Component Development ...
Mascoma: Frontier Biorefinery Project
This project involves the construction and operation of a biorefinery that produces ethanol and other co-products from cellulosic materials through advanced consolidated bioprocessing.
U.S. Department of Energy (DOE) all webpages (Extended Search)
PNM Prosperity Project - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power ...
National Nuclear Security Administration (NNSA)
This project would involve verifying the contents of 25 containers through a review of ... Each container would then be opened, and the contents would be inventoried. Sandia ...
Geothermal Technologies Office Systems Analysis projects include environmental, regulatory, financial initiatives and efforts that solve non-technical barriers to geothermal deployment.
U.S. Department of Energy (DOE) all webpages (Extended Search)
innovation project - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us ... Center for Infrastructure Research and Innovation Combustion Research Facility Joint ...
Elliott, Steven R [Los Alamos National Laboratory
2009-01-01
The Majorana Project, a neutrinoless double-beta decay experiment is described with an emphasis on the choice of Ge-detector configuration.
U.S. Department of Energy (DOE) all webpages (Extended Search)
coupling Suggested Project Topics Theory andor data analysis of solar-windmagnetosphere coupling Email the summer school Director for this mentor's contact information. ...
GAD (Smart Grid Project) | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Projects in Europe Smart Grid Projects - Smart Meter and AMI Smart Grid Projects - Integrated System Smart Grid Projects - Home application Smart Grid Projects - Customer Behavior...
Address (Smart Grid Project) | Open Energy Information
Open Energy Information (Open El) [EERE & EIA]
Categories: Smart Grid Projects Smart Grid Projects in Europe Smart Grid Projects - Integrated System Smart Grid Projects - Home application Smart Grid Projects - Customer Behavior...
River Protection Project (RPP) Project Management Plan
NAVARRO, J.E.
2001-03-07
The Office of River Protection (ORP) Project Management Plan (PMP) for the River Protection Project (RPP) describes the process for developing and operating a Waste Treatment Complex (WTC) to clean up Hanford Site tank waste. The Plan describes the scope of the project, the institutional setting within which the project must be completed, and the management processes and structure planned for implementation. The Plan is written from the perspective of the ORP as the taxpayers' representative. The Hanford Site, in southeastern Washington State, has one of the largest concentrations of radioactive waste in the world, as a result of producing plutonium for national defense for more than 40 years. Approximately 53 million gallons of waste stored in 177 aging underground tanks represent major environmental, social, and political challenges for the U.S. Department of Energy (DOE). These challenges require numerous interfaces with state and federal environmental officials, Tribal Nations, stakeholders, Congress, and the US Department of Energy-Headquarters (DOE-HQ). The cleanup of the Site's tank waste is a national issue with the potential for environmental and economic impacts to the region and the nation.
Project Reports for Kootznoowoo Incorporated- 2010 Project
Office of Energy Efficiency and Renewable Energy (EERE)
Thayer Lake Hydropower Development (TLHD) consists of a 1 MW+ run of the river hydropower project located in the Tongass Forest in the Admiralty Island National Monument Park that will provide the energy to the City of Angoon and Angoon Community Association (traditional tribe as recognized by Indian Reorganization Act).
Wang, Z; Gao, M
2014-06-01
Purpose: Monte Carlo simulation plays an important role for proton Pencil Beam Scanning (PBS) technique. However, MC simulation demands high computing power and is limited to few large proton centers that can afford a computer cluster. We study the feasibility of utilizing cloud computing in the MC simulation of PBS beams. Methods: A GATE/GEANT4 based MC simulation software was installed on a commercial cloud computing virtual machine (Linux 64-bits, Amazon EC2). Single spot Integral Depth Dose (IDD) curves and in-air transverse profiles were used to tune the source parameters to simulate an IBA machine. With the use of StarCluster software developed at MIT, a Linux cluster with 2100 nodes can be conveniently launched in the cloud. A proton PBS plan was then exported to the cloud where the MC simulation was run. Results: The simulated PBS plan has a field size of 1010cm{sup 2}, 20cm range, 10cm modulation, and contains over 10,000 beam spots. EC2 instance type m1.medium was selected considering the CPU/memory requirement and 40 instances were used to form a Linux cluster. To minimize cost, master node was created with on-demand instance and worker nodes were created with spot-instance. The hourly cost for the 40-node cluster was $0.63 and the projected cost for a 100-node cluster was $1.41. Ten million events were simulated to plot PDD and profile, with each job containing 500k events. The simulation completed within 1 hour and an overall statistical uncertainty of < 2% was achieved. Good agreement between MC simulation and measurement was observed. Conclusion: Cloud computing is a cost-effective and easy to maintain platform to run proton PBS MC simulation. When proton MC packages such as GATE and TOPAS are combined with cloud computing, it will greatly facilitate the pursuing of PBS MC studies, especially for newly established proton centers or individual researchers.
Yager, T.D.; Zewert, T.E.; Hood, L.E. )
1994-04-01
The Human Genome Project (HGP) is a coordinated worldwide effort to precisely map the human genome and the genomes of selected model organisms. The first explicit proposal for this project dates from 1985 although its foundations (both conceptual and technological) can be traced back many years in genetics, molecular biology, and biotechnology. The HGP has matured rapidly and is producing results of great significance.
Pennsylvania Regional Infrastructure Project
Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)
CTC Team 1 Pennsylvania Regional Infrastructure Project Presentation by: The Concurrent Technologies Corporation (CTC) Team January 6, 2004 The CTC Team 2 Presentation Outline Introduction of CTC Team CTC Background Technical Approach - CTC Team Member Presentations Conclusions The CTC Team 3 The CTC Project Team Concurrent Technologies Corporation Program Management and Coordination Hydrogen Delivery and Storage Material Development Hydrogen Sensors Concurrent Technologies Corporation Program
Gilbert, Jack
2014-08-25
The Home Microbiome Project is an initiative aimed at uncovering the dynamic co-associations between people's bacteria and the bacteria found in their homes.The hope is that the data and project will show that routine monitoring of the microbial diversity of your body and of the environment in which you live is possible.
Project organizations and schedules
Briggs, R.J.
1990-07-01
The Superconducting Super Collider Laboratory (SSCL) faces the challenge of simultaneously carrying out a large-scale construction project with demanding cost, schedule, and performance goals; and creating a scientific laboratory capable of exploiting this unique scientific instrument. This paper describes the status of the laboratory organization developed to achieve these goals, and the major near-term schedule objectives of the project.
Gilbert, Jack
2014-09-15
The Home Microbiome Project is an initiative aimed at uncovering the dynamic co-associations between people's bacteria and the bacteria found in their homes.The hope is that the data and project will show that routine monitoring of the microbial diversity of your body and of the environment in which you live is possible.
Not Available
1981-03-01
The status of various research projects related to coal is considered: gasification (approximately 30 processes) and in-situ gasification. Methanol production, retrofitting internal combustion engines to stratified charge engines, methanation (Conoco), direct reduction of iron ores, water resources, etc. Approximately 200 specific projects related to coal are considered with respect to present status. (LTN)
Office of Energy Efficiency and Renewable Energy (EERE)
The experience with major nuclear design and construction projects continues to highlight the importance of a focused, technically rigorous, and standardized approach to project reviews performed at Critical Decision (CD) approval points. This approach is fundamental to a positive safety culture and effective nuclear safety management.
Oleg E. Krivosheev et al.
2001-07-02
This paper describes the experimental setup and presents studies of absorbed doses in different metals and dielectrics along with corresponding Monte Carlo energy deposition simulations. Experiments were conducted using a 5 MeV electron accelerator. We used several Monte Carlo code systems, namely MARS, MCNP, and GEANT to simulate the absorbed doses under the same conditions as in experiment. We compare calculated and measured high and low absorbed doses (from few kGy to hundreds kGy) and discuss the applicability of these computer codes for applied accelerator dosimetry.
Nakano, Y. Yamazaki, A.; Watanabe, K.; Uritani, A.; Ogawa, K.; Isobe, M.
2014-11-15
Neutron monitoring is important to manage safety of fusion experiment facilities because neutrons are generated in fusion reactions. Monte Carlo simulations play an important role in evaluating the influence of neutron scattering from various structures and correcting differences between deuterium plasma experiments and in situ calibration experiments. We evaluated these influences based on differences between the both experiments at Large Helical Device using Monte Carlo simulation code MCNP5. A difference between the both experiments in absolute detection efficiency of the fission chamber between O-ports is estimated to be the biggest of all monitors. We additionally evaluated correction coefficients for some neutron monitors.
Pilati, S.; Giorgini, S.; Sakkos, K.; Boronat, J.; Casulleras, J.
2006-10-15
By using exact path-integral Monte Carlo methods we calculate the equation of state of an interacting Bose gas as a function of temperature both below and above the superfluid transition. The universal character of the equation of state for dilute systems and low temperatures is investigated by modeling the interatomic interactions using different repulsive potentials corresponding to the same s-wave scattering length. The results obtained for the energy and the pressure are compared to the virial expansion for temperatures larger than the critical temperature. At very low temperatures we find agreement with the ground-state energy calculated using the diffusion Monte Carlo method.
Mayers, Matthew Z.; Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.
2015-10-09
Ground-state diffusion Monte Carlo is used to investigate the binding energies and intercarrier radial probability distributions of excitons, trions, and biexcitons in a variety of two-dimensional transition-metal dichalcogenide materials. We compare these results to approximate variational calculations, as well as to analogous Monte Carlo calculations performed with simplified carrier interaction potentials. Our results highlight the successes and failures of approximate approaches as well as the physical features that determine the stability of small carrier complexes in monolayer transition-metal dichalcogenide materials. In conclusion, we discuss points of agreement and disagreement with recent experiments.
CASL-U-2015-0170-000-a SHIFT: A New Monte Carlo Package Seth R. Johnson
U.S. Department of Energy (DOE) all webpages (Extended Search)
-a SHIFT: A New Monte Carlo Package Seth R. Johnson Tara M. Pandya, Gregory G. Davidson, Thomas M. Evans, and Steven P. Hamilton , Cihangir Celik, Aarno Isotalo, Chris Peretti Oak Ridge National Laboratory April 19, 2015 CASL-U-2015-0170-000-a ORNL is managed by UT-Battelle for the U.S. Department of Energy Seth R Johnson R&D Staff, Monte Carlo Methods Radiation Transport Group Exnihilo team: Greg Davidson Tom Evans Stephen Hamilton Seth Johnson Tara Pandya Associate developers: Cihangir
North American LNG Project Sourcebook
2007-06-15
The report provides a status of the development of LNG Import Terminal projects in North America, and includes 1-2 page profiles of 63 LNG projects in North America which are either in operation, under construction, or under development. For each project, the sourcebook provides information on the following elements: project description, project ownership, project status, projected operation date, storage capacity, sendout capacity, and pipeline interconnection.
WINDExchange: Wind for Schools Project
Participant Roles & Responsibilities Affiliate Projects Pilot Project Results Project Funding School Project Locations Education & Training Programs Curricula & Teaching Materials Resources Wind for Schools Project The U.S. Department of Energy funds the Wind for Schools project, which helps develop a future wind energy workforce by engaging students at higher education institutions to join Wind Application Centers and serve as project consultants for small wind turbine
Project Reports for Yurok Tribe- 2005 Project
Office of Energy Efficiency and Renewable Energy (EERE)
The Yurok Tribe has a great need for improved energy services on the reservation. The members pay $328 per month per household on average for energy, with just a $9,000 median household income. The project will assess the need for energy efficiency services on the reservation, identify available resources, and develop an implementation plan for meeting these needs. With an unemployment rate of 42%, the job training component of this program will benefit the tribe. Past attempts have been made to provide energy efficiency and renewable energy maintenance services on the reservation, but many of these services have not endured because they were not tribe-driven. This project will build tribal expertise, increase awareness, and form collaborative relationships with local energy services.
Shippingport Station Decommissioning Project. Final project report
McKernan, M.L.
1989-12-22
The Shippingport Atomic Power Station was located on the Ohio River in Shippingport Borough (Beaver County), Pennsylvania, USA. The US Atomic Energy Commission (AEC) constructed the plant in the mid-1950s on a seven and half acre parcel of land leased from Duquesne Light Company (DLC). The purposes were to demonstrate and to develop Pressurized Water Recovery technology and to generate electricity. DLC operated the Shippingport plant under supervision of (the successor to AEC) the Department of Energy (DOE)-Naval Reactors (NR) until operations were terminated on October 1, 1982. NR concluded end-of-life testing and defueling in 1984 and transferred the Station`s responsibility to DOE Richland Operations Office (RL), Surplus Facility Management Program Office (SFMPO5) on September 5, 1984. SFMPO subsequently established the Shippingport Station Decommissioning Project and selected General Electric (GE) as the Decommissioning Operations Contractor. This report is intended to provide an overview of the Shippingport Station Decommissioning Project.
A Monte-Carlo method for ex-core neutron response
Gamino, R.G.; Ward, J.T.; Hughes, J.C.
1997-10-01
A Monte Carlo neutron transport kernel capability primarily for ex-core neutron response is described. The capability consists of the generation of a set of response kernels, which represent the neutron transport from the core to a specific ex-core volume. This is accomplished by tagging individual neutron histories from their initial source sites and tracking them throughout the problem geometry, tallying those that interact in the geometric regions of interest. These transport kernels can subsequently be combined with any number of core power distributions to determine detector response for a variety of reactor Thus, the transport kernels are analogous to an integrated adjoint response. Examples of pressure vessel response and ex-core neutron detector response are provided to illustrate the method.
MC++: A parallel, portable, Monte Carlo neutron transport code in C++
Lee, S.R.; Cummings, J.C.; Nolen, S.D.
1997-03-01
MC++ is an implicit multi-group Monte Carlo neutron transport code written in C++ and based on the Parallel Object-Oriented Methods and Applications (POOMA) class library. MC++ runs in parallel on and is portable to a wide variety of platforms, including MPPs, SMPs, and clusters of UNIX workstations. MC++ is being developed to provide transport capabilities to the Accelerated Strategic Computing Initiative (ASCI). It is also intended to form the basis of the first transport physics framework (TPF), which is a C++ class library containing appropriate abstractions, objects, and methods for the particle transport problem. The transport problem is briefly described, as well as the current status and algorithms in MC++ for solving the transport equation. The alpha version of the POOMA class library is also discussed, along with the implementation of the transport solution algorithms using POOMA. Finally, a simple test problem is defined and performance and physics results from this problem are discussed on a variety of platforms.
Monte Carlo Code System for High-Energy Radiation Transport Calculations.
Energy Science and Technology Software Center (OSTI)
2000-02-16
Version 00 HERMES-KFA consists of a set of Monte Carlo Codes used to simulate particle radiation and interaction with matter. The main codes are HETC, MORSE, and EGS. They are supported by a common geometry package, common random routines, a command interpreter, and auxiliary codes like NDEM that is used to generate a gamma-ray source from nuclear de-excitation after spallation processes. The codes have been modified so that any particle history falling outside the domainmore » of the physical theory of one program can be submitted to another program in the suite to complete the work. Also response data can be submitted by each program, to be collected and combined by a statistic package included within the command interpreter.« less
Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach
Velizhanin, Kirill A.; Saxena, Avadh
2015-11-11
The most striking features of novel two-dimensional semiconductors (e.g., transition metal dichalcogenide monolayers or phosphorene) is a strong Coulomb interaction between charge carriers resulting in large excitonic effects. In particular, this leads to the formation of multicarrier bound states upon photoexcitation (e.g., excitons, trions, and biexcitons), which could remain stable at near-room temperatures and contribute significantly to the optical properties of such materials. In our work we have used the path integral Monte Carlo methodology to numerically study properties of multicarrier bound states in two-dimensional semiconductors. Specifically, we have accurately investigated and tabulated the dependence of single-exciton, trion, and biexcitonmore » binding energies on the strength of dielectric screening, including the limiting cases of very strong and very weak screening. Our results of this work are potentially useful in the analysis of experimental data and benchmarking of theoretical and computational models.« less
Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study
Alfonso, Dominic R.; Tafen, De Nyago
2015-04-28
The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out formore » the purpose of understanding the predicted trends.« less
Size and habit evolution of PETN crystals - a lattice Monte Carlo study
Zepeda-Ruiz, L A; Maiti, A; Gee, R; Gilmer, G H; Weeks, B
2006-02-28
Starting from an accurate inter-atomic potential we develop a simple scheme of generating an ''on-lattice'' molecular potential of short range, which is then incorporated into a lattice Monte Carlo code for simulating size and shape evolution of nanocrystallites. As a specific example, we test such a procedure on the morphological evolution of a molecular crystal of interest to us, e.g., Pentaerythritol Tetranitrate, or PETN, and obtain realistic facetted structures in excellent agreement with experimental morphologies. We investigate several interesting effects including, the evolution of the initial shape of a ''seed'' to an equilibrium configuration, and the variation of growth morphology as a function of the rate of particle addition relative to diffusion.
An excited-state approach within full configuration interaction quantum Monte Carlo
Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali
2015-10-07
We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available.
Semi-stochastic full configuration interaction quantum Monte Carlo: Developments and application
Blunt, N. S. Kersten, J. A. F.; Smart, Simon D.; Spencer, J. S.; Booth, George H.; Alavi, Ali
2015-05-14
We expand upon the recent semi-stochastic adaptation to full configuration interaction quantum Monte Carlo (FCIQMC). We present an alternate method for generating the deterministic space without a priori knowledge of the wave function and present stochastic efficiencies for a variety of both molecular and lattice systems. The algorithmic details of an efficient semi-stochastic implementation are presented, with particular consideration given to the effect that the adaptation has on parallel performance in FCIQMC. We further demonstrate the benefit for calculation of reduced density matrices in FCIQMC through replica sampling, where the semi-stochastic adaptation seems to have even larger efficiency gains. We then combine these ideas to produce explicitly correlated corrected FCIQMC energies for the beryllium dimer, for which stochastic errors on the order of wavenumber accuracy are achievable.
A bottom collider vertex detector design, Monte-Carlo simulation and analysis package
Lebrun, P.
1990-10-01
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{sub d} {yields} {pi}{sup +}{pi}{sup {minus}} is presented. These calculations have been done at FNAL energy ({radical}s = 2.0 TeV). Emphasis is placed on design issues, analysis techniques and related software rather than physics potentials. 20 refs., 46 figs.
Nuclear reactor transient analysis via a quasi-static kinetics Monte Carlo method
Jo, YuGwon; Cho, Bumhee; Cho, Nam Zin
2015-12-31
The predictor-corrector quasi-static (PCQS) method is applied to the Monte Carlo (MC) calculation for reactor transient analysis. To solve the transient fixed-source problem of the PCQS method, fission source iteration is used and a linear approximation of fission source distributions during a macro-time step is introduced to provide delayed neutron source. The conventional particle-tracking procedure is modified to solve the transient fixed-source problem via MC calculation. The PCQS method with MC calculation is compared with the direct time-dependent method of characteristics (MOC) on a TWIGL two-group problem for verification of the computer code. Then, the results on a continuous-energy problem are presented.
Clay, Raymond C.; Mcminis, Jeremy; McMahon, Jeffrey M.; Pierleoni, Carlo; Ceperley, David M.; Morales, Miguel A.
2014-05-01
The ab initio phase diagram of dense hydrogen is very sensitive to errors in the treatment of electronic correlation. Recently, it has been shown that the choice of the density functional has a large effect on the predicted location of both the liquid-liquid phase transition and the solid insulator-to-metal transition in dense hydrogen. To identify the most accurate functional for dense hydrogen applications, we systematically benchmark some of the most commonly used functionals using quantum Monte Carlo. By considering several measures of functional accuracy, we conclude that the van der Waals and hybrid functionals significantly outperform local density approximation and Perdew-Burke-Ernzerhof. We support these conclusions by analyzing the impact of functional choice on structural optimization in the molecular solid, and on the location of the liquid-liquid phase transition.
Monte Carlo simulation of elongating metallic nanowires in the presence of surfactants
Gimenez, M. Cecilia; Reinaudi, Luis Leiva, Ezequiel P. M.
2015-12-28
Nanowires of different metals undergoing elongation were studied by means of canonical Monte Carlo simulations and the embedded atom method representing the interatomic potentials. The presence of a surfactant medium was emulated by the introduction of an additional stabilization energy, represented by a parameter Q. Several values of the parameter Q and temperatures were analyzed. In general, it was observed for all studied metals that, as Q increases, there is a greater elongation before the nanowire breaks. In the case of silver, linear monatomic chains several atoms long formed at intermediate values of Q and low temperatures. Similar observations were made for the case of silver-gold alloys when the medium interacted selectively with Ag.
penORNL: a parallel monte carlo photon and electron transport package using PENELOPE
Bekar, Kursat B.; Miller, Thomas Martin; Patton, Bruce W.; Weber, Charles F.
2015-01-01
The parallel Monte Carlo photon and electron transport code package penORNL was developed at Oak Ridge National Laboratory to enable advanced scanning electron microscope (SEM) simulations on high performance computing systems. This paper discusses the implementations, capabilities and parallel performance of the new code package. penORNL uses PENELOPE for its physics calculations and provides all available PENELOPE features to the users, as well as some new features including source definitions specifically developed for SEM simulations, a pulse-height tally capability for detailed simulations of gamma and x-ray detectors, and a modified interaction forcing mechanism to enable accurate energy deposition calculations. The parallel performance of penORNL was extensively tested with several model problems, and very good linear parallel scaling was observed with up to 512 processors. penORNL, along with its new features, will be available for SEM simulations upon completion of the new pulse-height tally implementation.
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo
Zen, Andrea; Luo, Ye Mazzola, Guglielmo Sorella, Sandro; Guidoni, Leonardo
2015-04-14
Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems.
Kinetic Monte Carlo simulations of scintillation processes in NaI(Tl)
Kerisit, Sebastien N.; Wang, Zhiguo; Williams, Richard; Grim, Joel; Gao, Fei
2014-04-26
Developing a comprehensive understanding of the processes that govern the scintillation behavior of inorganic scintillators provides a pathway to optimize current scintillators and allows for the science-driven search for new scintillator materials. Recent experimental data on the excitation density dependence of the light yield of inorganic scintillators presents an opportunity to incorporate parameterized interactions between excitations in scintillation models and thus enable more realistic simulations of the nonproportionality of inorganic scintillators. Therefore, a kinetic Monte Carlo (KMC) model of elementary scintillation processes in NaI(Tl) is developed in this work to simulate the kinetics of scintillation for a range of temperatures and Tl concentrations as well as the scintillation efficiency as a function of excitation density. The ability of the KMC model to reproduce available experimental data allows for elucidating the elementary processes that give rise to the kinetics and efficiency of scintillation observed experimentally for a range of conditions.
Direct Monte Carlo simulation of the chemical equilibrium composition of detonation products
Shaw, M.S.
1993-06-01
A new Monte Carlo simulation method has been developed by the author which gives the equilibrium chemical composition of a molecular fluid directly. The usual NPT ensemble (isothermal-isobaric) is implemented with N being the number of atoms instead of molecules. Changes in chemical composition are treated as correlated spatial moves of atoms. Given the interaction potentials between molecular products, ``exact`` EOS points including the equilibrium chemical composition can be determined from the simulations. This method is applied to detonation products at conditions in the region near the Chapman- Jouget state. For the example of NO, it is shown that the CJ detonation velocity can be determined to a few meters per second. A rather small change in cross potentials is shown to shift the chemical equilibrium and the CJ conditions significantly.
Markov Chain Monte Carlo Sampling Methods for 1D Seismic and EM Data Inversion
Energy Science and Technology Software Center (OSTI)
2008-09-22
This software provides several Markov chain Monte Carlo sampling methods for the Bayesian model developed for inverting 1D marine seismic and controlled source electromagnetic (CSEM) data. The current software can be used for individual inversion of seismic AVO and CSEM data and for joint inversion of both seismic and EM data sets. The structure of the software is very general and flexible, and it allows users to incorporate their own forward simulation codes and rockmore » physics model codes easily into this software. Although the softwae was developed using C and C++ computer languages, the user-supplied codes can be written in C, C++, or various versions of Fortran languages. The software provides clear interfaces for users to plug in their own codes. The output of this software is in the format that the R free software CODA can directly read to build MCMC objects.« less
Use of decision tree analysis and Monte Carlo simulation for downhole material selection
Cheldi, T.; Cavassi, P.; Lazzari, L.; Pezzotta, L.
1997-08-01
The paper describes how corrosion engineers can use the decision tree analysis in order to evaluate and select the best materials for the compilation of a new oil field, characterized by high CO{sub 2} and H{sub 2}S content. The method has been based on the decision tree analysis and the Monte Carlo simulation to obtain the probability distribution of some events to occur (for instance, number of workovers, corrosion inhibitor efficiency, coating damage rate). The corrosion study leads to four different technical solutions, showing different risk and reliability: carbon steel with corrosion allowance and inhibitor injection, coated tubing, and two corrosion resistant alloys, a superduplex stainless steel and a superaustenitic stainless steel. The cost comparison has been carried out by using the Expected Monetary Value criterion applied to the Life Cycle Cost evaluation. The paper presents and discusses the decision tree and the results of simulations.
Iterative Monte Carlo analysis of spin-dependent parton distributions
Sato, Nobuo; Melnitchouk, Wally; Kuhn, Sebastian E.; Ethier, Jacob J.; Accardi, Alberto
2016-04-05
We present a comprehensive new global QCD analysis of polarized inclusive deep-inelastic scattering, including the latest high-precision data on longitudinal and transverse polarization asymmetries from Jefferson Lab and elsewhere. The analysis is performed using a new iterative Monte Carlo fitting technique which generates stable fits to polarized parton distribution functions (PDFs) with statistically rigorous uncertainties. Inclusion of the Jefferson Lab data leads to a reduction in the PDF errors for the valence and sea quarks, as well as in the gluon polarization uncertainty at x ≳ 0.1. Furthermore, the study also provides the first determination of the flavor-separated twist-3 PDFsmore » and the d2 moment of the nucleon within a global PDF analysis.« less
Incorporating Experimental Information in the Total Monte Carlo Methodology Using File Weights
Helgesson, P.; Sjöstrand, H.; Koning, A.J.; Rochman, D.; Alhassan, E.; Pomp, S.
2015-01-15
Some criticism has been directed towards the Total Monte Carlo method because experimental information has not been taken into account in a statistically well-founded manner. In this work, a Bayesian calibration method is implemented by assigning weights to the random nuclear data files and the method is illustratively applied to a few applications. In some considered cases, the estimated nuclear data uncertainties are significantly reduced and the central values are significantly shifted. The study suggests that the method can be applied both to estimate uncertainties in a more justified way and in the search for better central values. Some improvements are however necessary; for example, the treatment of outliers and cross-experimental correlations should be more rigorous and random files that are intended to be prior files should be generated.
Billion-atom synchronous parallel kinetic Monte Carlo simulations of critical 3D Ising systems
Martinez, E.; Monasterio, P.R.; Marian, J.
2011-02-20
An extension of the synchronous parallel kinetic Monte Carlo (spkMC) algorithm developed by Martinez et al. [J. Comp. Phys. 227 (2008) 3804] to discrete lattices is presented. The method solves the master equation synchronously by recourse to null events that keep all processors' time clocks current in a global sense. Boundary conflicts are resolved by adopting a chessboard decomposition into non-interacting sublattices. We find that the bias introduced by the spatial correlations attendant to the sublattice decomposition is within the standard deviation of serial calculations, which confirms the statistical validity of our algorithm. We have analyzed the parallel efficiency of spkMC and find that it scales consistently with problem size and sublattice partition. We apply the method to the calculation of scale-dependent critical exponents in billion-atom 3D Ising systems, with very good agreement with state-of-the-art multispin simulations.
Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability
Gallis, Michail A.; Koehler, Timothy P.; Torczynski, John R.; Plimpton, Steven J.
2015-08-14
The Richtmyer-Meshkov instability (RMI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Due to the inherent statistical noise and the significant computational requirements, DSMC is hardly ever applied to hydrodynamic flows. Here, DSMC RMI simulations are performed to quantify the shock-driven growth of a single-mode perturbation on the interface between two atmospheric-pressure monatomic gases prior to re-shocking as a function of the Atwood and Mach numbers. The DSMC results qualitatively reproduce all features of the RMI and are in reasonable quantitative agreement with existing theoretical and empirical models. The DSMC simulations indicate that theremore » is a universal behavior, consistent with previous work in this field that RMI growth follows.« less
Monte Carlo Simulation of Electron Transport in 4H- and 6H-SiC
Sun, C. C.; You, A. H.; Wong, E. K.
2010-07-07
The Monte Carlo (MC) simulation of electron transport properties at high electric field region in 4H- and 6H-SiC are presented. This MC model includes two non-parabolic conduction bands. Based on the material parameters, the electron scattering rates included polar optical phonon scattering, optical phonon scattering and acoustic phonon scattering are evaluated. The electron drift velocity, energy and free flight time are simulated as a function of applied electric field at an impurity concentration of 1x10{sup 18} cm{sup 3} in room temperature. The simulated drift velocity with electric field dependencies is in a good agreement with experimental results found in literature. The saturation velocities for both polytypes are close, but the scattering rates are much more pronounced for 6H-SiC. Our simulation model clearly shows complete electron transport properties in 4H- and 6H-SiC.
Direct simulation Monte Carlo investigation of the Richtmyer-Meshkov instability.
Gallis, Michail A.; Koehler, Timothy P.; Torczynski, John R.; Plimpton, Steven J.
2015-08-14
The Richtmyer-Meshkov instability (RMI) is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Due to the inherent statistical noise and the significant computational requirements, DSMC is hardly ever applied to hydrodynamic flows. Here, DSMC RMI simulations are performed to quantify the shock-driven growth of a single-mode perturbation on the interface between two atmospheric-pressure monatomic gases prior to re-shocking as a function of the Atwood and Mach numbers. The DSMC results qualitatively reproduce all features of the RMI and are in reasonable quantitative agreement with existing theoretical and empirical models. The DSMC simulations indicate that there is a universal behavior, consistent with previous work in this field that RMI growth follows.
Density-functional Monte-Carlo simulation of CuZn order-disorder transition
Khan, Suffian N.; Eisenbach, Markus
2016-01-25
We perform a Wang-Landau Monte Carlo simulation of a Cu0.5Zn0.5 order-disorder transition using 250 atoms and pairwise atom swaps inside a 5 x 5 x 5 BCC supercell. Each time step uses energies calculated from density functional theory (DFT) via the all-electron Korringa-Kohn- Rostoker method and self-consistent potentials. Here we find CuZn undergoes a transition from a disordered A2 to an ordered B2 structure, as observed in experiment. Our calculated transition temperature is near 870 K, comparing favorably to the known experimental peak at 750 K. We also plot the entropy, temperature, specific-heat, and short-range order as a function ofmore » internal energy.« less
Theory of melting at high pressures: Amending density functional theory with quantum Monte Carlo
Shulenburger, L.; Desjarlais, M. P.; Mattsson, T. R.
2014-10-01
We present an improved first-principles description of melting under pressure based on thermodynamic integration comparing Density Functional Theory (DFT) and quantum Monte Carlo (QMC) treatments of the system. The method is applied to address the longstanding discrepancy between density functional theory (DFT) calculations and diamond anvil cell (DAC) experiments on the melting curve of xenon, a noble gas solid where van der Waals binding is challenging for traditional DFT methods. The calculations show excellent agreement with data below 20 GPa and that the high-pressure melt curve is well described by a Lindemann behavior up to at least 80 GPa, amore » finding in stark contrast to DAC data.« less
Energy Efficiency Project Development
IUEP
2004-03-01
The International Utility Efficiency Partnerships, Inc. (IUEP) has been a leader among the industry groups that have supported voluntary initiatives to promote international energy efficiency projects and address global climate change. The IUEP maintains its leadership by both supporting international greenhouse gas (GHG) reduction projects under the auspices of the U.S. Department of Energy (DOE) and by partnering with U.S. and international organizations to develop and implement strategies and specific energy efficiency projects. The goals of the IUEP program are to (1) provide a way for U.S. industry to maintain a leadership role in international energy efficiency infrastructure projects; (2) identify international energy project development opportunities to continue its leadership in supporting voluntary market-based mechanisms to reduce GHG emissions; and (3) demonstrate private sector commitment to voluntary approaches to global climate issues. The IUEP is dedicated to identifying, promoting, managing, and assisting in the registration of international energy efficiency projects that result in demonstrated voluntary reductions of GHG emissions. This Final Technical Report summarizes the IUEP's work in identifying, promoting, managing, and assisting in development of these projects and IUEP's effort in creating international cooperative partnerships to support project development activities that develop and deploy technologies that (1) increase efficiency in the production, delivery and use of energy; (2) increase the use of cleaner, low-carbon fuels in processing products; and (3) capture/sequester carbon gases from energy systems. Through international cooperative efforts, the IUEP intends to strengthen partnerships for energy technology innovation and demonstration projects capable of providing cleaner energy in a cost-effective manner. As detailed in this report, the IUEP met program objectives and goals during the reporting period January 1, 2001 through