National Library of Energy BETA

Sample records for difference calculation typically

  1. Suggestion of typical phases of in-vessel fuel-debris by thermodynamic calculation for decommissioning technology of Fukushima-Daiichi nuclear power station

    SciTech Connect (OSTI)

    Ikeuchi, Hirotomo; Yano, Kimihiko; Kaji, Naoya; Washiya, Tadahiro; Kondo, Yoshikazu; Noguchi, Yoshikazu

    2013-07-01

    For the decommissioning of the Fukushima-Daiichi Nuclear Power Station (1F), the characterization of fuel-debris in cores of Units 1-3 is necessary. In this study, typical phases of the in-vessel fuel-debris were estimated using a thermodynamic equilibrium (TDE) calculation. The FactSage program and NUCLEA database were applied to estimate the phase equilibria of debris. It was confirmed that the TDE calculation using the database can reproduce the phase separation behavior of debris observed in the Three Mile Island accident. In the TDE calculation of 1F, the oxygen potential [G(O{sub 2})] was assumed to be a variable. At low G(O{sub 2}) where metallic zirconium remains, (U,Zr)O{sub 2}, UO{sub 2}, and ZrO{sub 2} were found as oxides, and oxygen-dispersed Zr, Fe{sub 2}(Zr,U), and Fe{sub 3}UZr{sub 2} were found as metals. With an increase in zirconium oxidation, the mass of those metals, especially Fe{sub 3}UZr{sub 2}, decreased, but the other phases of metals hardly changed qualitatively. Consequently, (U,Zr)O{sub 2} is suggested as a typical phase of oxide, and Fe{sub 2}(Zr,U) is suggested as that of metal. However, a more detailed estimation is necessary to consider the distribution of Fe in the reactor pressure vessel through core-melt progression. (authors)

  2. The spiral arms of the Milky Way: The relative location of each different arm tracer within a typical spiral arm width

    SciTech Connect (OSTI)

    Valle, Jacques P., E-mail: jacques.vallee@nrc-cnrc.gc.ca [National Research Council Canada, National Science Infrastructure portfolio, Herzberg Astronomy and Astrophysics, 5071 West Saanich Road, Victoria, B.C., V9E 2E7 (Canada)

    2014-07-01

    From the Sun's location in the Galactic disk, different arm tracers (CO, H I, hot dust, etc.) have been employed to locate a tangent to each spiral arm. Using all various and different observed spiral arm tracers (as published elsewhere), we embark on a new goal, namely the statistical analysis of these published data (data mining) to statistically compute the mean location of each spiral arm tracer. We show for a typical arm cross-cut, a separation of 400 pc between the mid-arm and the dust lane (at the inner edge of the arm, toward the Galactic center). Are some arms major and others minor? Separating arms into two sets, as suggested by some, we find the same arm widths between the two sets. Our interpretation is that we live in a multiple (four-arm) spiral (logarithmic) pattern (around a pitch angle of 12) for the stars and gas in the Milky Way, with a sizable interarm separation (around 3 kpc) at the Sun's location and the same arm width for each arm (near 400 pc from mid-arm to dust lane).

  3. Chemical expansion affected oxygen vacancy stability in different oxide structures from first principles calculations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; Weber, William J.

    2015-03-01

    We study the chemical expansion for neutral and charged oxygen vacancies in fluorite, rocksalt, perovskite and pyrochlores materials using first principles calculations. We show that the neutral oxygen vacancy leads to lattice expansion whereas the charged vacancy leads to lattice contraction. In addition, we show that there is a window of strain within which an oxygen vacancy is stable; beyond that range, the vacancy can become unstable. Using CeO2|ZrO2 interface structure as an example, we show that the concentration of oxygen vacancies can be manipulated via strain, and the vacancies can be preferentially stabilized. These results could serve as guiding principles in predicting oxygen vacancy stability in strained systems and in the design of vacancy stabilized materials.

  4. Energy conservation in typical Asian countries

    SciTech Connect (OSTI)

    Yang, M.; Rumsey, P.

    1997-06-01

    Various policies and programs have been created to promote energy conservation in Asia. Energy conservation centers, energy conservation standards and labeling, commercial building codes, industrial energy use regulations, and utility demand-side management (DSM) are but a few of them. This article attempts to analyze the roles of these different policies and programs in seven typical Asian countries: China, Indonesia, Japan, Pakistan, South Korea, the Philippines, and Thailand. The conclusions show that the two most important features behind the success policies and programs are (1) government policy support and (2) long-run self-sustainability of financial support to the programs.

  5. A finite difference Davidson procedure to sidestep full ab initio hessian calculation: Application to characterization of stationary points and transition state searches

    SciTech Connect (OSTI)

    Sharada, Shaama Mallikarjun; Bell, Alexis T. E-mail: bell@cchem.berkeley.edu; Head-Gordon, Martin E-mail: bell@cchem.berkeley.edu

    2014-04-28

    The cost of calculating nuclear hessians, either analytically or by finite difference methods, during the course of quantum chemical analyses can be prohibitive for systems containing hundreds of atoms. In many applications, though, only a few eigenvalues and eigenvectors, and not the full hessian, are required. For instance, the lowest one or two eigenvalues of the full hessian are sufficient to characterize a stationary point as a minimum or a transition state (TS), respectively. We describe here a method that can eliminate the need for hessian calculations for both the characterization of stationary points as well as searches for saddle points. A finite differences implementation of the Davidson method that uses only first derivatives of the energy to calculate the lowest eigenvalues and eigenvectors of the hessian is discussed. This method can be implemented in conjunction with geometry optimization methods such as partitioned-rational function optimization (P-RFO) to characterize stationary points on the potential energy surface. With equal ease, it can be combined with interpolation methods that determine TS guess structures, such as the freezing string method, to generate approximate hessian matrices in lieu of full hessians as input to P-RFO for TS optimization. This approach is shown to achieve significant cost savings relative to exact hessian calculation when applied to both stationary point characterization as well as TS optimization. The basic reason is that the present approach scales one power of system size lower since the rate of convergence is approximately independent of the size of the system. Therefore, the finite-difference Davidson method is a viable alternative to full hessian calculation for stationary point characterization and TS search particularly when analytical hessians are not available or require substantial computational effort.

  6. SRU Calculator

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Calculator SRU Calculator About SRUs You can use this form to estimate your mass storage charges (in SRUs). SRUs are calculated on a daily basis. Enter your estimated daily average number of files and data storage and your yearly estimate of data transferred to and from the HPSS system. Click on Calculate and your SRU charge will appear in the light blue boxes. Enter average daily values for the allocation year Number of files*: Amount of data stored*: GB Enter total HPSS I/O for the allocation

  7. Predicting aerodynamic characteristic of typical wind turbine airfoils using CFD

    SciTech Connect (OSTI)

    Wolfe, W.P. [Sandia National Labs., Albuquerque, NM (United States); Ochs, S.S. [Iowa State Univ., Ames, IA (United States). Aerospace Engineering Dept.

    1997-09-01

    An investigation was conducted into the capabilities and accuracy of a representative computational fluid dynamics code to predict the flow field and aerodynamic characteristics of typical wind-turbine airfoils. Comparisons of the computed pressure and aerodynamic coefficients were made with wind tunnel data. This work highlights two areas in CFD that require further investigation and development in order to enable accurate numerical simulations of flow about current generation wind-turbine airfoils: transition prediction and turbulence modeling. The results show that the laminar-to turbulent transition point must be modeled correctly to get accurate simulations for attached flow. Calculations also show that the standard turbulence model used in most commercial CFD codes, the k-e model, is not appropriate at angles of attack with flow separation. 14 refs., 28 figs., 4 tabs.

  8. A generalized window energy rating system for typical office buildings

    SciTech Connect (OSTI)

    Tian, Cheng; Chen, Tingyao; Yang, Hongxing; Chung, Tse-ming

    2010-07-15

    Detailed computer simulation programs require lengthy inputs, and cannot directly provide an insight to relationship between the window energy performance and the key window design parameters. Hence, several window energy rating systems (WERS) for residential houses and small buildings have been developed in different countries. Many studies showed that utilization of daylight through elaborate design and operation of windows leads to significant energy savings in both cooling and lighting in office buildings. However, the current WERSs do not consider daylighting effect, while most of daylighting analyses do not take into account the influence of convective and infiltration heat gains. Therefore, a generalized WERS for typical office buildings has been presented, which takes all primary influence factors into account. The model includes embodied and operation energy uses and savings by a window to fully reflect interactions among the influence parameters. Reference locations selected for artificial lighting and glare control in the current common simulation practice may cause uncompromised conflicts, which could result in over- or under-estimated energy performance. Widely used computer programs, DOE2 and ADELINE, for hourly daylighting and cooling simulations have their own weaknesses, which may result in unrealistic or inaccurate results. An approach is also presented for taking the advantages of the both programs and avoiding their weaknesses. The model and approach have been applied to a typical office building of Hong Kong as an example to demonstrate how a WERS in a particular location can be established and how well the model can work. The energy effect of window properties, window-to-wall ratio (WWR), building orientation and lighting control strategies have been analyzed, and can be indicated by the localized WERS. An application example also demonstrates that the algebraic WERS derived from simulation results can be easily used for the optimal design of windows in buildings similar to the typical buildings. (author)

  9. WBGT Calculator

    Energy Science and Technology Software Center (OSTI)

    2000-05-22

    This software calculates a Wet Bulb Globe Temperature (WBGT) using standard measurements from a meteorological station. WBGT is used by Industrial Hygenists (IH) to determine heat stress potential to outdoor workers. Through the mid 1990''s, SRS technicians were dispatched several times daily to measure WBGT with a custom hand held instrument and results were dessiminated via telephone. Due to workforce reductions, the WSRC IH Department asked for the development of an automated method to simulatemore » the WBGT measurement using existing real time data from the Atmospheric Technologies Group''s meteorological monitoring network.« less

  10. Equilibrium calculations of firework mixtures

    SciTech Connect (OSTI)

    Hobbs, M.L.; Tanaka, Katsumi; Iida, Mitsuaki; Matsunaga, Takehiro

    1994-12-31

    Thermochemical equilibrium calculations have been used to calculate detonation conditions for typical firework components including three report charges, two display charges, and black powder which is used as a fuse or launch charge. Calculations were performed with a modified version of the TIGER code which allows calculations with 900 gaseous and 600 condensed product species at high pressure. The detonation calculations presented in this paper are thought to be the first report on the theoretical study of firework detonation. Measured velocities for two report charges are available and compare favorably to predicted detonation velocities. However, the measured velocities may not be true detonation velocities. Fast deflagration rather than an ideal detonation occurs when reactants contain significant amounts of slow reacting constituents such as aluminum or titanium. Despite such uncertainties in reacting pyrotechnics, the detonation calculations do show the complex nature of condensed phase formation at elevated pressures and give an upper bound for measured velocities.

  11. NREL Releases Updated Typical Meteorological Year Data Set -...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Renewable Energy Laboratory (NREL) today released an updated typical meteorological year (TMY) data set derived from the 1991-2005 National Solar Radiation Data Base update. ...

  12. Fast Company covers "Just Your Typical New Mexico Image Recognition...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A ... covers new technique that may make solar panel production less expensive The ...

  13. Recycling and processing of several typical crosslinked polymer...

    Office of Scientific and Technical Information (OSTI)

    Recycling and processing of several typical crosslinked polymer scraps with enhanced mechanical properties based on solid-state mechanochemical milling Citation Details In-Document...

  14. Gearbox Typical Failure Modes, Detection, and Mitigation Methods (Presentation)

    SciTech Connect (OSTI)

    Sheng, S.

    2014-01-01

    This presentation was given at the AWEA Operations & Maintenance and Safety Seminar and focused on what the typical gearbox failure modes are, how to detect them using detection techniques, and strategies that help mitigate these failures.

  15. Tunnel closure calculations

    SciTech Connect (OSTI)

    Moran, B.; Attia, A.

    1995-07-01

    When a deeply penetrating munition explodes above the roof of a tunnel, the amount of rubble that falls inside the tunnel is primarily a function of three parameters: first the cube-root scaled distance from the center of the explosive to the roof of the tunnel. Second the material properties of the rock around the tunnel, and in particular the shear strength of that rock, its RQD (Rock Quality Designator), and the extent and orientation of joints. And third the ratio of the tunnel diameter to the standoff distance (distance between the center of explosive and the tunnel roof). The authors have used CALE, a well-established 2-D hydrodynamic computer code, to calculate the amount of rubble that falls inside a tunnel as a function of standoff distance for two different tunnel diameters. In particular they calculated three of the tunnel collapse experiments conducted in an iron ore mine near Kirkeness, Norway in the summer of 1994. The failure model that they used in their calculations combines an equivalent plastic strain criterion with a maximum tensile strength criterion and can be calibrated for different rocks using cratering data as well as laboratory experiments. These calculations are intended to test and improve the understanding of both the Norway Experiments and the ACE (Array of conventional Explosive) phenomenology.

  16. Maximum Photovoltaic Penetration Levels on Typical Distribution Feeders: Preprint

    SciTech Connect (OSTI)

    Hoke, A.; Butler, R.; Hambrick, J.; Kroposki, B.

    2012-07-01

    This paper presents simulation results for a taxonomy of typical distribution feeders with various levels of photovoltaic (PV) penetration. For each of the 16 feeders simulated, the maximum PV penetration that did not result in steady-state voltage or current violation is presented for several PV location scenarios: clustered near the feeder source, clustered near the midpoint of the feeder, clustered near the end of the feeder, randomly located, and evenly distributed. In addition, the maximum level of PV is presented for single, large PV systems at each location. Maximum PV penetration was determined by requiring that feeder voltages stay within ANSI Range A and that feeder currents stay within the ranges determined by overcurrent protection devices. Simulations were run in GridLAB-D using hourly time steps over a year with randomized load profiles based on utility data and typical meteorological year weather data. For 86% of the cases simulated, maximum PV penetration was at least 30% of peak load.

  17. Typical Oak Ridge cemesto houses and city bus | Y-12 National Security

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Complex Typical Oak Ridge cemesto ... Typical Oak Ridge cemesto houses and city bus Typical Oak Ridge cemesto houses and city bus

  18. Hydrogen Threshold Cost Calculation

    Broader source: Energy.gov [DOE]

    DOE Hydrogen Program Record number11007, Hydrogen Threshold Cost Calculation, documents the methodology and assumptions used to calculate that threshold cost.

  19. Original Impact Calculations

    Broader source: Energy.gov [DOE]

    Original Impact Calculations, from the Tool Kit Framework: Small Town University Energy Program (STEP).

  20. Utility Potential Calculator

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    for Potential Studies in the Northwest V1.0 Utility Potential Calculator V1.0 for Excel 2007 Utility Potential Calculator V1.0 for Excel 2003 Note: BPA developed the Utility...

  1. ARM - Wind Chill Calculations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CalculatorsWind Chill Calculations Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Wind Chill Calculations Wind Chill is the apparent temperature felt on the exposed human body owing to the combination of temperature and wind speed. From 1945 to 2001, Wind Chill was calculated by the Siple

  2. ARM - Relative Humidity Calculations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CalculatorsRelative Humidity Calculations Outreach Home Room News Publications Traditional Knowledge Kiosks Barrow, Alaska Tropical Western Pacific Site Tours Contacts Students Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Relative Humidity Calculations Heat Index is an index that combines air temperature and relative humidity to estimate how hot it actually feels. The human body cools off through perspiration, which

  3. Waste Package Lifting Calculation

    SciTech Connect (OSTI)

    H. Marr

    2000-05-11

    The objective of this calculation is to evaluate the structural response of the waste package during the horizontal and vertical lifting operations in order to support the waste package lifting feature design. The scope of this calculation includes the evaluation of the 21 PWR UCF (pressurized water reactor uncanistered fuel) waste package, naval waste package, 5 DHLW/DOE SNF (defense high-level waste/Department of Energy spent nuclear fuel)--short waste package, and 44 BWR (boiling water reactor) UCF waste package. Procedure AP-3.12Q, Revision 0, ICN 0, calculations, is used to develop and document this calculation.

  4. Multiphase flow calculation software

    DOE Patents [OSTI]

    Fincke, James R.

    2003-04-15

    Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

  5. Calculation note review

    SciTech Connect (OSTI)

    Ramble, A.L.

    1996-09-30

    This document contains a review of the calculation notes which were prepared for the Tank Waste Remediation System Basis for Interim Operation.

  6. Radiation Transport Calculations and Simulations

    SciTech Connect (OSTI)

    Fasso, Alberto; Ferrari, A.; /CERN

    2011-06-30

    This article is an introduction to the Monte Carlo method as used in particle transport. After a description at an elementary level of the mathematical basis of the method, the Boltzmann equation and its physical meaning are presented, followed by Monte Carlo integration and random sampling, and by a general description of the main aspects and components of a typical Monte Carlo particle transport code. In particular, the most common biasing techniques are described, as well as the concepts of estimator and detector. After a discussion of the different types of errors, the issue of Quality Assurance is briefly considered.

  7. Draft PEI Calculator

    Broader source: Energy.gov [DOE]

    This Excel spreadsheet is designed to perform the calculations necessary to determine PEI -- a pump's energy index -- as proposed in DOE's Notices of Proposed Rulemaking (Dockets EERE-2011-BT-STD-0031 and EERE-2013-BT-TP-0055). DOE is providing this calculator as a convenience at the request of interested parties.

  8. Dose Calculation Spreadsheet

    Energy Science and Technology Software Center (OSTI)

    1997-06-10

    VENTSAR XL is an EXCEL Spreadsheet that can be used to calculate downwind doses as a result of a hypothetical atmospheric release. Both building effects and plume rise may be considered. VENTSAR XL will run using any version of Microsoft EXCEL version 4.0 or later. Macros (the programming language of EXCEL) was used to automate the calculations. The user enters a minimal amount of input and the code calculates the resulting concentrations and doses atmore » various downwind distances as specified by the user.« less

  9. Vehicle Cost Calculator

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Annual GHG Emissions (lbs of CO2) Vehicle Cost Calculator See Assumptions and Methodology Back Next U.S. Department of Energy Energy Efficiency and Renewable Energy Get Widget Code

  10. Appliance Energy Calculator

    Broader source: Energy.gov [DOE]

    Our appliance and electronic energy use calculator allows you to estimate your annual energy use and cost to operate specific products. The wattage values provided are samples only; actual wattage...

  11. Vehicle Cost Calculator

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Annual Fuel Cost gal Annual GHG Emissions (lbs of CO2) Vehicle Cost Calculator See Assumptions and Methodology Back Next U.S. Department of Energy Energy Efficiency and ...

  12. ARM - Heat Index Calculations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Study Hall About ARM Global Warming FAQ Just for Fun Meet our Friends Cool Sites Teachers Teachers' Toolbox Lesson Plans Heat Index Calculations Heat Index is an index that ...

  13. Jobs Calculator | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Jobs Calculator Jobs Calculator Office spreadsheet icon owip_jobs_calculator_v11-0.xls More Documents & Publications WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding Progress Report Template Job Counting Guidelines

  14. Geothermal Life Cycle Calculator

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Sullivan, John

    This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOEs Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.

  15. Geothermal Life Cycle Calculator

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Sullivan, John

    2014-03-11

    This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOEs Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.

  16. Geothermal Life Cycle Calculator

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Sullivan, John

    2014-03-11

    This calculator is a handy tool for interested parties to estimate two key life cycle metrics, fossil energy consumption (Etot) and greenhouse gas emission (ghgtot) ratios, for geothermal electric power production. It is based solely on data developed by Argonne National Laboratory for DOE’s Geothermal Technologies office. The calculator permits the user to explore the impact of a range of key geothermal power production parameters, including plant capacity, lifetime, capacity factor, geothermal technology, well numbers and depths, field exploration, and others on the two metrics just mentioned. Estimates of variations in the results are also available to the user.

  17. Carbon Footprint Calculator

    Broader source: Energy.gov [DOE]

    This calculator estimates the amount of carbon emissions you and members of your household are responsible for. It does not include emissions associated with your work or getting to work if you commute by public transportation. It was developed by IEEE Spectrum magazine.

  18. Plutonium 239 Equivalency Calculations

    SciTech Connect (OSTI)

    Wen, J

    2011-05-31

    This document provides the basis for converting actual weapons grade plutonium mass to a plutonium equivalency (PuE) mass of Plutonium 239. The conversion can be accomplished by performing calculations utilizing either: (1) Isotopic conversions factors (CF{sub isotope}), or (2) 30-year-old weapons grade conversion factor (CF{sub 30 yr}) Both of these methods are provided in this document. Material mass and isotopic data are needed to calculate PuE using the isotopic conversion factors, which will provide the actual PuE value at the time of calculation. PuE is the summation of the isotopic masses times their associated isotopic conversion factors for plutonium 239. Isotopic conversion factors are calculated by a normalized equation, relative to Plutonium 239, of specific activity (SA) and cumulated dose inhalation affects based on 50-yr committed effective dose equivalent (CEDE). The isotopic conversion factors for converting weapons grade plutonium to PuE are provided in Table-1. The unit for specific activity (SA) is curies per gram (Ci/g) and the isotopic SA values come from reference [1]. The cumulated dose inhalation effect values in units of rem/Ci are based on 50-yr committed effective dose equivalent (CEDE). A person irradiated by gamma radiation outside the body will receive a dose only during the period of irradiation. However, following an intake by inhalation, some radionuclides persist in the body and irradiate the various tissues for many years. There are three groups CEDE data representing lengths of time of 0.5 (D), 50 (W) and 500 (Y) days, which are in reference [2]. The CEDE values in the (W) group demonstrates the highest dose equivalent value; therefore they are used for the calculation.

  19. Nuclear Material Variance Calculation

    Energy Science and Technology Software Center (OSTI)

    1995-01-01

    MAVARIC (Materials Accounting VARIance Calculations) is a custom spreadsheet that significantly reduces the effort required to make the variance and covariance calculations needed to determine the detection sensitivity of a materials accounting system and loss of special nuclear material (SNM). The user is required to enter information into one of four data tables depending on the type of term in the materials balance (MB) equation. The four data tables correspond to input transfers, output transfers,more » and two types of inventory terms, one for nondestructive assay (NDA) measurements and one for measurements made by chemical analysis. Each data entry must contain an identification number and a short description, as well as values for the SNM concentration, the bulk mass (or solution volume), the measurement error standard deviations, and the number of measurements during an accounting period. The user must also specify the type of error model (additive or multiplicative) associated with each measurement, and possible correlations between transfer terms. Predefined spreadsheet macros are used to perform the variance and covariance calculations for each term based on the corresponding set of entries. MAVARIC has been used for sensitivity studies of chemical separation facilities, fuel processing and fabrication facilities, and gas centrifuge and laser isotope enrichment facilities.« less

  20. Zero Temperature Hope Calculations

    SciTech Connect (OSTI)

    Rozsnyai, B F

    2002-07-26

    The primary purpose of the HOPE code is to calculate opacities over a wide temperature and density range. It can also produce equation of state (EOS) data. Since the experimental data at the high temperature region are scarce, comparisons of predictions with the ample zero temperature data provide a valuable physics check of the code. In this report we show a selected few examples across the periodic table. Below we give a brief general information about the physics of the HOPE code. The HOPE code is an ''average atom'' (AA) Dirac-Slater self-consistent code. The AA label in the case of finite temperature means that the one-electron levels are populated according to the Fermi statistics, at zero temperature it means that the ''aufbau'' principle works, i.e. no a priory electronic configuration is set, although it can be done. As such, it is a one-particle model (any Hartree-Fock model is a one particle model). The code is an ''ion-sphere'' model, meaning that the atom under investigation is neutral within the ion-sphere radius. Furthermore, the boundary conditions for the bound states are also set at the ion-sphere radius, which distinguishes the code from the INFERNO, OPAL and STA codes. Once the self-consistent AA state is obtained, the code proceeds to generate many-electron configurations and proceeds to calculate photoabsorption in the ''detailed configuration accounting'' (DCA) scheme. However, this last feature is meaningless at zero temperature. There is one important feature in the HOPE code which should be noted; any self-consistent model is self-consistent in the space of the occupied orbitals. The unoccupied orbitals, where electrons are lifted via photoexcitation, are unphysical. The rigorous way to deal with that problem is to carry out complete self-consistent calculations both in the initial and final states connecting photoexcitations, an enormous computational task. The Amaldi correction is an attempt to address this problem by distorting the outer part of the self-consistent potential in such a way that in the final state after photoexcitation or photoionization the newly occupied orbital sees the hole left in the initial state. This is very important to account for the large number of Rydberg states in the case of low densities. In the next Section we show calculated photoabsorptions compared with experimental data in figures with some rudimentary explanations.

  1. Calculation of Electron Trajectories

    Energy Science and Technology Software Center (OSTI)

    1982-06-01

    EGUN, the SLAC Electron Trajectory Program, computes trajectories of charged particles in electrostatic and magnetostatic focusing systems including the effects of space charge and self-magnetic fields. Starting options include Child''s Law conditions on cathodes of various shapes, user-specified initial conditions for each ray, and a combination of Child''s Law conditions and user specifications. Either rectangular or cylindrically symmetric geometry may be used. Magnetic fields may be specified using arbitrary configuration of coils, or the outputmore » of a magnet program, such as Poisson, or by an externally calculated array of the axial fields.« less

  2. Roof Savings Calculator Suite

    Energy Science and Technology Software Center (OSTI)

    2013-11-22

    The software options currently supported by the simulation engine can be seen/experienced at www.roofcalc.com. It defaults all values to national averages with options to test a base-case (residential or commercial) building versus a comparison building with inputs for building type, location, building vintage, conditioned area, number of floors, and window-to-wall ratio, cooling system efficiency, type of heating, heating system efficiency, duct location, roof/ceiling insulation level, above-sheathing ventilation, radiant barrier, roof thermal mass, roof solar reflectance,more » roof thermal emittance, utility costs, roof pitch. The Roof Savings Caculator Suite adds utilities and website/web service and the integration of AtticSim with DOE-2.1E, with the end-result being Roof Savings Calculator.« less

  3. Roof Savings Calculator Suite

    SciTech Connect (OSTI)

    New, Joshua R; Garrett, Aaron; Erdem, Ender; Huang, Yu

    2013-11-22

    The software options currently supported by the simulation engine can be seen/experienced at www.roofcalc.com. It defaults all values to national averages with options to test a base-case (residential or commercial) building versus a comparison building with inputs for building type, location, building vintage, conditioned area, number of floors, and window-to-wall ratio, cooling system efficiency, type of heating, heating system efficiency, duct location, roof/ceiling insulation level, above-sheathing ventilation, radiant barrier, roof thermal mass, roof solar reflectance, roof thermal emittance, utility costs, roof pitch. The Roof Savings Caculator Suite adds utilities and website/web service and the integration of AtticSim with DOE-2.1E, with the end-result being Roof Savings Calculator.

  4. Accelerating molecular property calculations with nonorthonormal Krylov space methods

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Furche, Filipp; Krull, Brandon T.; Nguyen, Brian D.; Kwon, Jake

    2016-05-03

    Here, we formulate Krylov space methods for large eigenvalue problems and linear equation systems that take advantage of decreasing residual norms to reduce the cost of matrix-vector multiplication. The residuals are used as subspace basis without prior orthonormalization, which leads to generalized eigenvalue problems or linear equation systems on the Krylov space. These nonorthonormal Krylov space (nKs) algorithms are favorable for large matrices with irregular sparsity patterns whose elements are computed on the fly, because fewer operations are necessary as the residual norm decreases as compared to the conventional method, while errors in the desired eigenpairs and solution vectors remainmore » small. We consider real symmetric and symplectic eigenvalue problems as well as linear equation systems and Sylvester equations as they appear in configuration interaction and response theory. The nKs method can be implemented in existing electronic structure codes with minor modifications and yields speed-ups of 1.2-1.8 in typical time-dependent Hartree-Fock and density functional applications without accuracy loss. The algorithm can compute entire linear subspaces simultaneously which benefits electronic spectra and force constant calculations requiring many eigenpairs or solution vectors. The nKs approach is related to difference density methods in electronic ground state calculations and particularly efficient for integral direct computations of exchange-type contractions. By combination with resolution-of-the-identity methods for Coulomb contractions, three- to fivefold speed-ups of hybrid time-dependent density functional excited state and response calculations are achieved.« less

  5. Fast Company covers "Just Your Typical New Mexico Image Recognition Startup

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Spun Off From A Government Lab" (Not) just your typical Lab spin off Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab" Far from Silicon Valley, Descartes Labs aims to turn a national research facility's AI research into new ways of understanding the world. July 30, 2015 Fast Company covers "Just Your Typical New Mexico Image Recognition Startup Spun Off From A Government Lab" Descartes Labs cofounders Mark

  6. How Are Momentum Savings Calculated?

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Simplifying the Math: How Are Momentum Savings Calculated? Many people have heard about Momentum savings but don't understand how these types of savings are calculated. The short...

  7. Ground difference compensating system

    DOE Patents [OSTI]

    Johnson, Kris W.; Akasam, Sivaprasad

    2005-10-25

    A method of ground level compensation includes measuring a voltage of at least one signal with respect to a primary ground potential and measuring, with respect to the primary ground potential, a voltage level associated with a secondary ground potential. A difference between the voltage level associated with the secondary ground potential and an expected value is calculated. The measured voltage of the at least one signal is adjusted by an amount corresponding to the calculated difference.

  8. Analysis of a typical BWR/4 MSIV closure ATWS using RAMONA-3B and TRAC-BD1 codes

    SciTech Connect (OSTI)

    Hsu, C.J.; Neymotin, L.; Saha, P.

    1984-01-01

    Analysis of a typical BWR/4 Anticipated Transient Without Scram (ATWS) has been performed using two advanced, best-estimate computer codes, namely, RAMONA-3B and TRAC-BD1. The transient was initiated by an inadvertant closure of all Main Steam Isolation Valves (MSIVs) with subsequent failure to scram the reactor. However, all other safety features namely, the safety and relief valves, recirculation pump trip, high pressure coolant injection and the standby liquid (boron) control system were assumed to work as designed. No other operator action was assumed. It has been found that both RAMONA-3B (with three-dimensional neutron kinetics) and TRAC-BD1 (with point kinetics) yielded similar results for the global parameters such as reactor power, system pressure and the suppression pool temperature. Both calculations showed that the reactor can be brought to hot shutdown in approximately twenty to twenty-five minutes with borated water mass flow rate of 2.78 kg/s (43 gpm) with 23800 ppM of boron. The suppression pool water temperature (assuming no pool cooling) at this time could be in the range of 170 to 205/sup 0/F. An additional TRAC-BD1 calculation with RAMONA-3B reactor power indicates that the thermal-hydraulic models in RAMONA-3B, although simpler than those in TRAC-BD1, can adequately represent the system behavior during the ATWS-type transient.

  9. EVALUATION OF TROQUE VS CLOSURE BOLT PRELOAD FOR A TYPICAL CONTAINMENT VESSEL UNDER SERVICE CONDITIONS

    SciTech Connect (OSTI)

    Smith, A.

    2010-02-16

    Radioactive material package containment vessels typically employ bolted closures of various configurations. Closure bolts must retain the lid of a package and must maintain required seal loads, while subjected to internal pressure, impact loads and vibration. The need for insuring that the specified preload is achieved in closure bolts for radioactive materials packagings has been a continual subject of concern for both designers and regulatory reviewers. The extensive literature on threaded fasteners provides sound guidance on design and torque specification for closure bolts. The literature also shows the uncertainty associated with use of torque to establish preload is typically between 10 and 35%. These studies have been performed under controlled, laboratory conditions. The ability to insure required preload in normal service is, consequently, an important question. The study described here investigated the relationship between indicated torque and resulting bolt load for a typical radioactive materials package closure using methods available under normal service conditions.

  10. RTU Comparison Calculator Enhancement Plan

    SciTech Connect (OSTI)

    Miller, James D.; Wang, Weimin; Katipamula, Srinivas

    2015-07-01

    Over the past two years, Department of Energy’s Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.

  11. RTU Comparison Calculator Enhancement Plan

    SciTech Connect (OSTI)

    Miller, James D.; Wang, Weimin; Katipamula, Srinivas

    2014-03-31

    Over the past two years, Department of Energys Building Technologies Office (BTO) has been investigating ways to increase the operating efficiency of the packaged rooftop units (RTUs) in the field. First, by issuing a challenge to the RTU manufactures to increase the integrated energy efficiency ratio (IEER) by 60% over the existing ASHRAE 90.1-2010 standard. Second, by evaluating the performance of an advanced RTU controller that reduces the energy consumption by over 40%. BTO has previously also funded development of a RTU comparison calculator (RTUCC). RTUCC is a web-based tool that provides the user a way to compare energy and cost savings for two units with different efficiencies. However, the RTUCC currently cannot compare savings associated with either the RTU Challenge unit or the advanced RTU controls retrofit. Therefore, BTO has asked PNNL to enhance the tool so building owners can compare energy and savings associated with this new class of products. This document provides the details of the enhancements that are required to support estimating energy savings from use of RTU challenge units or advanced controls on existing RTUs.

  12. Calculation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    are two separate equations with second derivatives of v ex and v ix instead of one equation including the second derivative of v. The resulting equations still contain E x ,...

  13. Boiler efficiency calculation for multiple fuel burning boilers

    SciTech Connect (OSTI)

    Khodabakhsh, F.; Munukutla, S.; Clary, A.T.

    1996-12-31

    A rigorous method based on the output/loss approach is developed for calculating the coal flow rate for multiple fuel burning boilers. It is assumed that the ultimate analyses of all the fuels are known. In addition, it is assumed that the flow rates of all the fuels with the exception of coal are known. The calculations are performed iteratively, with the first iteration taking into consideration coal as the only fuel. The results converge to the correct answer after a few number of iterations, typically four or five.

  14. Energy Escalation Rate Calculator Download

    Broader source: Energy.gov [DOE]

    Energy Escalation Rate Calculator (EERC) computes an average annual escalation rate for a specified time period, which can be used as an escalation rate for contract payments in energy savings performance contracts and utility energy services contracts.

  15. Home Energy Score Calculation Methodology

    Broader source: Energy.gov [DOE]

    A Qualified Assessor calculates the Home Energy Score by first conducting a brief walk-through of the home and collecting approximately 40 data points. Next, the Qualified Assessor uses the Home...

  16. Study of multiband disordered systems using the typical medium dynamical cluster approximation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Yi; Terletska, Hanna; Moore, C.; Ekuma, Chinedu; Tam, Ka-Ming; Berlijn, Tom; Ku, Wei; Moreno, Juana; Jarrell, Mark

    2015-11-06

    We generalize the typical medium dynamical cluster approximation to multiband disordered systems. Using our extended formalism, we perform a systematic study of the nonlocal correlation effects induced by disorder on the density of states and the mobility edge of the three-dimensional two-band Anderson model. We include interband and intraband hopping and an intraband disorder potential. Our results are consistent with those obtained by the transfer matrix and the kernel polynomial methods. We also apply the method to KxFe2-ySe2 with Fe vacancies. Despite the strong vacancy disorder and anisotropy, we find the material is not an Anderson insulator. Moreover our resultsmore » demonstrate the application of the typical medium dynamical cluster approximation method to study Anderson localization in real materials.« less

  17. A Framework for Lattice QCD Calculations on GPUs

    SciTech Connect (OSTI)

    Winter, Frank; Clark, M.A.; Edwards, Robert G.; Joo, Balint

    2014-08-01

    Computing platforms equipped with accelerators like GPUs have proven to provide great computational power. However, exploiting such platforms for existing scientific applications is not a trivial task. Current GPU programming frameworks such as CUDA C/C++ require low-level programming from the developer in order to achieve high performance code. As a result porting of applications to GPUs is typically limited to time-dominant algorithms and routines, leaving the remainder not accelerated which can open a serious Amdahl's law issue. The lattice QCD application Chroma allows to explore a different porting strategy. The layered structure of the software architecture logically separates the data-parallel from the application layer. The QCD Data-Parallel software layer provides data types and expressions with stencil-like operations suitable for lattice field theory and Chroma implements algorithms in terms of this high-level interface. Thus by porting the low-level layer one can effectively move the whole application in one swing to a different platform. The QDP-JIT/PTX library, the reimplementation of the low-level layer, provides a framework for lattice QCD calculations for the CUDA architecture. The complete software interface is supported and thus applications can be run unaltered on GPU-based parallel computers. This reimplementation was possible due to the availability of a JIT compiler (part of the NVIDIA Linux kernel driver) which translates an assembly-like language (PTX) to GPU code. The expression template technique is used to build PTX code generators and a software cache manages the GPU memory. This reimplementation allows us to deploy an efficient implementation of the full gauge-generation program with dynamical fermions on large-scale GPU-based machines such as Titan and Blue Waters which accelerates the algorithm by more than an order of magnitude.

  18. RAMONA-3B calculations for Browns Ferry ATWS (Anticipated Transient Without Scram) study

    SciTech Connect (OSTI)

    Saha, P; Slovik, G C; Neymotin, L Y

    1987-02-01

    Several aspects of the Anticipated Transient Without Scram (ATWS) initiated by an inadvertent closure of all Main Steam Isolation Valves (MSIV) in a typical BWR/4 are analyzed in the report. The analysis is performed using the Brookhaven National Laboratory code, RAMONA-3B, which employs a three-dimensional neutron kinetics model coupled with a parallel-channel thermal hydraulics in representing a Boiling Water Reactor (BWR) Core. Four different transient scenarios have been investigated: (a) downcomer water level and reactor pressure control, (b) manual control rod insertion transient, (c) high pressure boil-off, and (d) recirculation pump trip failure. Results of these calculations should provide better understanding of mitigative effects of operator actions during ATWS, thus helping in the development of adequate Emergency Procedure Guidelines (EPG) required for the BWR plant safety. A few unresolved questions subject to future investigations are also discussed.

  19. SU-E-T-27: A Tool for Routine Quality Assurance of Radiotherapy Dose Calculation Software

    SciTech Connect (OSTI)

    Popple, R; Cardan, R; Duan, J; Wu, X; Shen, S; Brezovich, I

    2014-06-01

    Purpose: Dose calculation software is thoroughly evaluated when it is commissioned; however, evaluation of periodic software updates is typically limited in scope due to staffing constraints and the need to quickly return the treatment planning system to clinical service. We developed a tool for quickly and comprehensively testing and documenting dose calculation software against measured data. Methods: A tool was developed using MatLab (The MathWorks, Natick, MA) for evaluation of dose calculation algorithms against measured data. Inputs to the tool are measured data, reference DICOM RT PLAN files describing the measurements, and dose calculations in DICOM format. The tool consists of a collection of extensible modules that can perform analysis of point dose, depth dose curves, and profiles using dose difference, distance-to-agreement, and the gamma-index. Each module generates a report subsection that is incorporated into a master template, which is converted to final form in portable document format (PDF). Results: After each change to the treatment planning system, a report can be generated in approximately 90 minutes. The tool has been in use for more than 5 years, spanning 5 versions of the eMC and 4 versions of the AAA. We have detected changes to the algorithms that affected clinical practice once during this period. Conclusion: Our tool provides an efficient method for quality assurance of dose calculation software, providing a complete set of tests for an update. Future work includes the addition of plan level tests, allowing incorporation of, for example, the TG-119 test suite for IMRT, and integration with the treatment planning system via an application programming interface. Integration with the planning system will permit fully-automated testing and reporting at scheduled intervals.

  20. Greenhouse gases emissions accounting for typical sewage sludge digestion with energy utilization and residue land application in China

    SciTech Connect (OSTI)

    Niu Dongjie; Huang Hui; Dai Xiaohu; Zhao Youcai

    2013-01-15

    Highlights: Black-Right-Pointing-Pointer GHGs emissions from sludge digestion + residue land use in China were calculated. Black-Right-Pointing-Pointer The AD unit contributes more than 97% of total biogenic GHGs emissions. Black-Right-Pointing-Pointer AD with methane recovery is attractive for sludge GHGs emissions reduction. - Abstract: About 20 million tonnes of sludge (with 80% moisture content) is discharged by the sewage treatment plants per year in China, which, if not treated properly, can be a significant source of greenhouse gases (GHGs) emissions. Anaerobic digestion is a conventional sewage sludge treatment method and will continue to be one of the main technologies in the following years. This research has taken into consideration GHGs emissions from typical processes of sludge thickening + anaerobic digestion + dewatering + residue land application in China. Fossil CO{sub 2}, biogenic CO{sub 2}, CH{sub 4,} and avoided CO{sub 2} as the main objects is discussed respectively. The results show that the total CO{sub 2}-eq is about 1133 kg/t DM (including the biogenic CO{sub 2}), while the net CO{sub 2}-eq is about 372 kg/t DM (excluding the biogenic CO{sub 2}). An anaerobic digestion unit as the main GHGs emission source occupies more than 91% CO{sub 2}-eq of the whole process. The use of biogas is important for achieving carbon dioxide emission reductions, which could reach about 24% of the total CO{sub 2}-eq reduction.

  1. Multigroup Reactor Lattice Cell Calculation

    Energy Science and Technology Software Center (OSTI)

    1990-03-01

    The Winfrith Improved Multigroup Scheme (WIMS), is a general code for reactor lattice cell calculations on a wide range of reactor systems. In particular, the code will accept rod or plate fuel geometries in either regular arrays or in clusters, and the energy group structure has been chosen primarily for thermal calculations. The basic library has been compiled with 14 fast groups, 13 resonance groups and 42 thermal groups, but the user is offered themore » choice of accurate solutions in many groups or rapid calculations in few groups. Temperature dependent thermal scattering matrices for a variety of scattering laws are available in the library for the principal moderators which include hydrogen, deuterium, graphite, beryllium and oxygen. WIMSD5 is a succesor version of WIMS-D/4.« less

  2. Canister Transfer Facility Criticality Calculations

    SciTech Connect (OSTI)

    J.E. Monroe-Rammsy

    2000-10-13

    The objective of this calculation is to evaluate the criticality risk in the surface facility for design basis events (DBE) involving Department of Energy (DOE) Spent Nuclear Fuel (SNF) standardized canisters (Civilian Radioactive Waste Management System [CRWMS] Management and Operating Contractor [M&O] 2000a). Since some of the canisters will be stored in the surface facility before they are loaded in the waste package (WP), this calculation supports the demonstration of concept viability related to the Surface Facility environment. The scope of this calculation is limited to the consideration of three DOE SNF fuels, specifically Enrico Fermi SNF, Training Research Isotope General Atomic (TRIGA) SNF, and Mixed Oxide (MOX) Fast Flux Test Facility (FFTF) SNF.

  3. The Multi-Step CADIS method for shutdown dose rate calculations and uncertainty propagation

    SciTech Connect (OSTI)

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

    2015-12-01

    Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple because it is difficult to explicitly express the response function, which depends on subsequent computational steps. Furthermore, the typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty.

  4. The Multi-Step CADIS method for shutdown dose rate calculations and uncertainty propagation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

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

    2015-12-01

    Shutdown dose rate (SDDR) analysis requires (a) a neutron transport calculation to estimate neutron flux fields, (b) an activation calculation to compute radionuclide inventories and associated photon sources, and (c) a photon transport calculation to estimate final SDDR. In some applications, accurate full-scale Monte Carlo (MC) SDDR simulations are needed for very large systems with massive amounts of shielding materials. However, these simulations are impractical because calculation of space- and energy-dependent neutron fluxes throughout the structural materials is needed to estimate distribution of radioisotopes causing the SDDR. Biasing the neutron MC calculation using an importance function is not simple becausemore » it is difficult to explicitly express the response function, which depends on subsequent computational steps. Furthermore, the typical SDDR calculations do not consider how uncertainties in MC neutron calculation impact SDDR uncertainty, even though MC neutron calculation uncertainties usually dominate SDDR uncertainty.« less

  5. Graphical User Interface for Simplified Neutron Transport Calculations

    SciTech Connect (OSTI)

    Schwarz, Randolph; Carter, Leland L

    2011-07-18

    A number of codes perform simple photon physics calculations. The nuclear industry is lacking in similar tools to perform simplified neutron physics shielding calculations. With the increased importance of performing neutron calculations for homeland security applications and defense nuclear nonproliferation tasks, having an efficient method for performing simple neutron transport calculations becomes increasingly important. Codes such as Monte Carlo N-particle (MCNP) can perform the transport calculations; however, the technical details in setting up, running, and interpreting the required simulations are quite complex and typically go beyond the abilities of most users who need a simple answer to a neutron transport calculation. The work documented in this report resulted in the development of the NucWiz program, which can create an MCNP input file for a set of simple geometries, source, and detector configurations. The user selects source, shield, and tally configurations from a set of pre-defined lists, and the software creates a complete MCNP input file that can be optionally run and the results viewed inside NucWiz.

  6. Petrophysical corner - calculating water cut

    SciTech Connect (OSTI)

    Elphick, R.Y. )

    1990-02-01

    The problem of determining the amount of water cut that can be expected from a well is discussed in conjunction with a program for making this calculation. The program was written for Amiga, Apple Macintosh, and MS DOS personal computers and source code for the program is provided.

  7. Analysis of high-pressure boiloff situation during an MSIV closure ATWS in a typical BWR/4

    SciTech Connect (OSTI)

    Neymotin, L.Y.; Slovik, G.C.; Saha, P.

    1986-01-01

    An anticipated transient without scram (ATWS) is recognized as one of the boiling water reactor (BWR) accident sequences potentially leading to core damage. Of all the various ATWS initiating events, the main steam isolation valve (MSIV) closure ATWS is the most severe, because of its relatively high frequency of occurrence and its challenge to the residual heat removal and containment integrity systems. Although under investigation for quite a long period of time, different aspects of this type of transient are still being analyzed. The final outcome of these studies should be a well-defined set of recommendations for the plant operator to mitigate an ATWS accident. The objective of this paper is to provide a best estimate analysis of the MSIV closure ATWS in the Browns Ferry Unit 1 BWR with Mark-1 containment. The calculations have been performed using the RAMONA-3B code which as a three-dimensional neutron kinetics model coupled with one-dimensional four-equation, nonhomogeneous, nonequilibrium thermal hydraulics. The code also allows for one-dimensional neutronic core representation. The one-dimensional capability of the code has been employed in this calculation since a thorough sensitivity study showed that for a full ATWS, a one-dimensional neutron kinetics adequately describes the core behavior. The calculation described in the paper was started from a steady-state fuel condition corresponding to the end of cycle 5 of the Browns Ferry reactor.

  8. Calculation of Kinetics Parameters for the NBSR

    SciTech Connect (OSTI)

    Hanson A. L.; Diamond D.

    2012-03-06

    The delayed neutron fraction and prompt neutron lifetime have been calculated at different times in the fuel cycle for the NBSR when fueled with both high-enriched uranium (HEU) and low-enriched uranium (LEU) fuel. The best-estimate values for both the delayed neutron fraction and the prompt neutron lifetime are the result of calculations using MCNP5-1.60 with the most recent ENDFB-VII evaluations. The best-estimate values for the total delayed neutron fraction from fission products are 0.00665 and 0.00661 for the HEU fueled core at startup and end-of-cycle, respectively. For the LEU fuel the best estimate values are 0.00650 and 0.00648 at startup and end-of-cycle, respectively. The present recommendations for the delayed neutron fractions from fission products are smaller than the value reported previously of 0.00726 for the HEU fuel. The best-estimate values for the contribution from photoneutrons will remain as 0.000316, independent of the fuel or time in the cycle.The values of the prompt neutron lifetime as calculated with MCNP5-1.60 are compared to values calculated with two other independent methods and the results are in reasonable agreement with each other. The recommended, conservative values of the neutron lifetime for the HEU fuel are 650 {micro}s and 750 {micro}s for the startup and end-of-cycle conditions, respectively. For LEU fuel the recommended, conservative values are 600 {micro}s and 700 {micro}s for the startup and end-of-cycle conditions, respectively. In all three calculations, the prompt neutron lifetime was determined to be longer for the end-of-cycle equilibrium condition when compared to the startup condition. The results of the three analyses were in agreement that the LEU fuel will exhibit a shorter prompt neutron lifetime when compared to the HEU fuel.

  9. Permeability Calculation in a Fracture Network - 12197

    SciTech Connect (OSTI)

    Lee, Cheo Kyung; Kim, Hyo Won [Handong Global University, 3 Namsong-ri, Heunghae-eub, Buk-gu, Pohang, Kyungbuk, 791-708 (Korea, Republic of); Yim, Sung Paal [Korea Atomic Energy Research Institute, Yusong, Daejon, 305-600 (Korea, Republic of)

    2012-07-01

    Laminar flow of a viscous fluid in the pore space of a saturated fractured rock medium is considered to calculate the effective permeability of the medium. The effective permeability is determined from the flow field which is calculated numerically by using the finite element method. The computation of permeability components is carried out with a few different discretizations for a number of fracture arrangements. Various features such as flow field in the fracture channels, the convergence of permeability, and the variation of permeability among different fracture networks are discussed. The longitudinal permeability in general appears greater than the transverse ones. The former shows minor variations with fracture arrangement whereas the latter appears to be more sensitive to the arrangement. From the calculations of the permeability in a rock medium with a fracture network (two parallel fractures aligned in the direction of 45-deg counterclockwise from the horizontal and two connecting fractures(narrowing, parallel and widening) the following conclusions are drawn. 1. The permeability of fractured medium not only depends on the primary orientation of the main fractures but also is noticeably influenced by the connecting fractures in the medium. 2. The transverse permeability (the permeability in the direction normal to the direction of the externally imposed macro-scale pressure gradient) is only a fraction of the longitudinal one, but is sensitive to the arrangement of the connecting fractures. 3. It is important to figure out the pattern of the fractures that connect (or cross) the main fractures for reliable calculation of the transverse permeability. (authors)

  10. AGING FACILITY CRITICALITY SAFETY CALCULATIONS

    SciTech Connect (OSTI)

    C.E. Sanders

    2004-09-10

    The purpose of this design calculation is to revise and update the previous criticality calculation for the Aging Facility (documented in BSC 2004a). This design calculation will also demonstrate and ensure that the storage and aging operations to be performed in the Aging Facility meet the criticality safety design criteria in the ''Project Design Criteria Document'' (Doraswamy 2004, Section 4.9.2.2), and the functional nuclear criticality safety requirement described in the ''SNF Aging System Description Document'' (BSC [Bechtel SAIC Company] 2004f, p. 3-12). The scope of this design calculation covers the systems and processes for aging commercial spent nuclear fuel (SNF) and staging Department of Energy (DOE) SNF/High-Level Waste (HLW) prior to its placement in the final waste package (WP) (BSC 2004f, p. 1-1). Aging commercial SNF is a thermal management strategy, while staging DOE SNF/HLW will make loading of WPs more efficient (note that aging DOE SNF/HLW is not needed since these wastes are not expected to exceed the thermal limits form emplacement) (BSC 2004f, p. 1-2). The description of the changes in this revised document is as follows: (1) Include DOE SNF/HLW in addition to commercial SNF per the current ''SNF Aging System Description Document'' (BSC 2004f). (2) Update the evaluation of Category 1 and 2 event sequences for the Aging Facility as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004c, Section 7). (3) Further evaluate the design and criticality controls required for a storage/aging cask, referred to as MGR Site-specific Cask (MSC), to accommodate commercial fuel outside the content specification in the Certificate of Compliance for the existing NRC-certified storage casks. In addition, evaluate the design required for the MSC that will accommodate DOE SNF/HLW. This design calculation will achieve the objective of providing the criticality safety results to support the preliminary design of the Aging Facility. As the ongoing design evolution remains fluid, the results from this design calculation should be evaluated for applicability to any new or modified design. Consequently, the results presented in this document are limited to the current design. The information contained in this document was developed by Environmental and Nuclear Engineering and is intended for the use of Design and Engineering in its work regarding the various criticality related activities performed in the Aging Facility. Yucca Mountain Project personnel from Environmental and Nuclear Engineering should be consulted before the use of the information for purposes other than those stated herein or use by individuals other than authorized personnel in Design and Engineering.

  11. Analysis of Hydraulic Conductivity Calculations

    SciTech Connect (OSTI)

    Green, R.E.

    2003-01-06

    Equations by Marshall and by Millington and Quirk for calculating hydraulic conductivity from pore-size distribution data are dependent on an arbitrary choice of the exponent on the porosity term and a correct estimate of residual water. This study showed that a revised equation, based on the pore-interaction model of Marshall, accurately predicts hydraulic conductivity for glass beads and a loam soil from the pressure-water content relationships of these porous materials.

  12. Modeling a Typical Winter-time Dust Event over the Arabian Peninsula and the Red Sea

    SciTech Connect (OSTI)

    Kalenderski, S.; Stenchikov, G.; Zhao, Chun

    2013-02-20

    We used WRF-Chem, a regional meteorological model coupled with an aerosol-chemistry component, to simulate various aspects of the dust phenomena over the Arabian Peninsula and Red Sea during a typical winter-time dust event that occurred in January 2009. The model predicted that the total amount of emitted dust was 18.3 Tg for the entire dust outburst period and that the two maximum daily rates were ~2.4 Tg/day and ~1.5 Tg/day, corresponding to two periods with the highest aerosol optical depth that were well captured by ground- and satellite-based observations. The model predicted that the dust plume was thick, extensive, and mixed in a deep boundary layer at an altitude of 3-4 km. Its spatial distribution was modeled to be consistent with typical spatial patterns of dust emissions. We utilized MODIS-Aqua and Solar Village AERONET measurements of the aerosol optical depth (AOD) to evaluate the radiative impact of aerosols. Our results clearly indicated that the presence of dust particles in the atmosphere caused a significant reduction in the amount of solar radiation reaching the surface during the dust event. We also found that dust aerosols have significant impact on the energy and nutrient balances of the Red Sea. Our results showed that the simulated cooling under the dust plume reached 100 W/m2, which could have profound effects on both the sea surface temperature and circulation. Further analysis of dust generation and its spatial and temporal variability is extremely important for future projections and for better understanding of the climate and ecological history of the Red Sea.

  13. Code for Calculating Regional Seismic Travel Time

    Energy Science and Technology Software Center (OSTI)

    2009-07-10

    The RSTT software computes predictions of the travel time of seismic energy traveling from a source to a receiver through 2.5D models of the seismic velocity distribution within the Earth. The two primary applications for the RSTT library are tomographic inversion studies and seismic event location calculations. In tomographic inversions studies, a seismologist begins with number of source-receiver travel time observations and an initial starting model of the velocity distribution within the Earth. A forwardmore » travel time calculator, such as the RSTT library, is used to compute predictions of each observed travel time and all of the residuals (observed minus predicted travel time) are calculated. The Earth model is then modified in some systematic way with the goal of minimizing the residuals. The Earth model obtained in this way is assumed to be a better model than the starting model if it has lower residuals. The other major application for the RSTT library is seismic event location. Given an Earth model, an initial estimate of the location of a seismic event, and some number of observations of seismic travel time thought to have originated from that event, location codes systematically modify the estimate of the location of the event with the goal of minimizing the difference between the observed and predicted travel times. The second application, seismic event location, is routinely implemented by the military as part of its effort to monitor the Earth for nuclear tests conducted by foreign countries.« less

  14. Agriculture-related radiation dose calculations

    SciTech Connect (OSTI)

    Furr, J.M.; Mayberry, J.J.; Waite, D.A.

    1987-10-01

    Estimates of radiation dose to the public must be made at each stage in the identification and qualification process leading to siting a high-level nuclear waste repository. Specifically considering the ingestion pathway, this paper examines questions of reliability and adequacy of dose calculations in relation to five stages of data availability (geologic province, region, area, location, and mass balance) and three methods of calculation (population, population/food production, and food production driven). Calculations were done using the model PABLM with data for the Permian and Palo Duro Basins and the Deaf Smith County area. Extra effort expended in gathering agricultural data at succeeding environmental characterization levels does not appear justified, since dose estimates do not differ greatly; that effort would be better spent determining usage of food types that contribute most to the total dose; and that consumption rate and the air dispersion factor are critical to assessment of radiation dose via the ingestion pathway. 17 refs., 9 figs., 32 tabs.

  15. Technology Solutions Case Study: Calculating Design Heating Loads for Superinsulated Buildings

    SciTech Connect (OSTI)

    2015-08-01

    Designing a superinsulated home has many benefits including improved comfort, reduced exterior noise penetration, lower energy bills, and the ability to withstand power and fuel outages under much more comfortable conditions than a typical home. Extremely low heating and cooling loads equate to much smaller HVAC equipment than conventionally required. Sizing the mechanical system to these much lower loads reduces first costs and the size of the distribution system needed. While these homes aren't necessarily constructed with excessive mass in the form of concrete floors and walls, the amount of insulation and the increase in the thickness of the building envelope can lead to a mass effect, resulting in the structures ability to store much more heat than a code built home. This results in a very low thermal inertia making the building much less sensitive to drastic temperature swings thereby decreasing the peak heating load demand. Alternative methods that take this inertia into account along with solar and internal gains result in smaller more appropriate design loads than those calculated using Manual J version 8. During the winter of 2013/2014, the Consortium for Advanced Residential Buildings team monitored the energy use of three homes in climate zone 6 in an attempt to evaluate the accuracy of two different mechanical system sizing methods for low load homes. Based on the results, it is recommended that internal and solar gains be included and some credit for thermal inertia be used in sizing calculations for superinsulated homes.

  16. Alternative Fuels Data Center: Vehicle Cost Calculator

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Tools Printable Version Share this resource Send a link to Alternative Fuels Data Center: Vehicle Cost Calculator to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator on Delicious Rank Alternative Fuels Data Center: Vehicle Cost Calculator on

  17. LBB evaluation for a typical Japanese PWR primary loop by using the US NRC approved methods

    SciTech Connect (OSTI)

    Swamy, S.A.; Bhowmick, D.C.; Prager, D.E.

    1997-04-01

    The regulatory requirements for postulated pipe ruptures have changed significantly since the first nuclear plants were designed. The Leak-Before-Break (LBB) methodology is now accepted as a technically justifiable approach for eliminating postulation of double-ended guillotine breaks (DEGB) in high energy piping systems. The previous pipe rupture design requirements for nuclear power plant applications are responsible for all the numerous and massive pipe whip restraints and jet shields installed for each plant. This results in significant plant congestion, increased labor costs and radiation dosage for normal maintenance and inspection. Also the restraints increase the probability of interference between the piping and supporting structures during plant heatup, thereby potentially impacting overall plant reliability. The LBB approach to eliminate postulating ruptures in high energy piping systems is a significant improvement to former regulatory methodologies, and therefore, the LBB approach to design is gaining worldwide acceptance. However, the methods and criteria for LBB evaluation depend upon the policy of individual country and significant effort continues towards accomplishing uniformity on a global basis. In this paper the historical development of the U.S. LBB criteria will be traced and the results of an LBB evaluation for a typical Japanese PWR primary loop applying U.S. NRC approved methods will be presented. In addition, another approach using the Japanese LBB criteria will be shown and compared with the U.S. criteria. The comparison will be highlighted in this paper with detailed discussion.

  18. Incorporating Weather Data into Energy Savings Calculations ...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Incorporating Weather Data into Energy Savings Calculations Incorporating Weather Data into Energy Savings Calculations Better Buildings Residential Network Peer Exchange Call...

  19. USAID Carbon Calculator | Open Energy Information

    Open Energy Info (EERE)

    Application ComplexityEase of Use: Not Available Website: www.afolucarbon.org Cost: Free Language: English USAID Carbon Calculator Screenshot Logo: USAID Carbon Calculator This...

  20. Calculation of chemical equilibrium between aqueous solution...

    Office of Scientific and Technical Information (OSTI)

    Calculation of chemical equilibrium between aqueous solution and minerals: the EQ36 ... Citation Details In-Document Search Title: Calculation of chemical equilibrium between ...

  1. NERSC Calculations Provide Independent Confirmation of Global...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Calculations Provide Independent Confirmation of Global Land Warming Since 1901 NERSC Calculations Provide Independent Confirmation of Global Land Warming Since 1901 September 9, ...

  2. China 2050 Pathways Calculator | Open Energy Information

    Open Energy Info (EERE)

    2050 Pathways Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: China 2050 Pathways Calculator AgencyCompany Organization: China's Energy Research Institute...

  3. California Biomass Collaborative Energy Cost Calculators | Open...

    Open Energy Info (EERE)

    Biomass Collaborative Energy Cost Calculators Jump to: navigation, search Tool Summary LAUNCH TOOL Name: California Biomass Collaborative Energy Cost Calculators AgencyCompany...

  4. Interruption Cost Estimate Calculator | Open Energy Information

    Open Energy Info (EERE)

    Cost Estimate (ICE) Calculator This calculator is a tool designed for electric reliability planners at utilities, government organizations or other entities that are...

  5. Campus Carbon Calculator | Open Energy Information

    Open Energy Info (EERE)

    Campus Carbon Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Campus Carbon Calculator AgencyCompany Organization: Clean Air-Cool Planet Phase: Create a...

  6. Incorporating Weather Data into Energy Savings Calculations ...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Weather Data into Energy Savings Calculations Incorporating Weather Data into Energy Savings Calculations Better Buildings Residential Network Peer Exchange Call Series: ...

  7. Calculate and Plot Complex Potential

    Energy Science and Technology Software Center (OSTI)

    1998-05-05

    SOLUPLOT is a program designed to calculate and plot complex potential, pH diagrams and log oxygen activity, pH diagrams for aqueous chemical syatems, considering speciation of ligands, from free energy and thermodynamic activity data. These diagrams, commonly referred to as Eh-pH and ao2-pH diagrams, respectively, define areas of predominance in Eh-pH diagrams or ao2-pH space for chemical species of a chemical system at equilibrium. Over an area of predominance, one predominant species is at greatermore » activity than the other species of the system considered. The diagram axes, pH (a measure of hydrogen ion activity) and either Eh or log ao2 (measures of a tendency toward either oxidation or reduction) , are paremeters commonly applied in describing the chemistry of aqueous systems.« less

  8. Analyses of High Pressure Molten Debris Dispersion for a Typical PWR Plant

    SciTech Connect (OSTI)

    Osamu KAawabata; Mitsuhiro Kajimoto [Japan Nuclear Energy Safety Organization (Japan)

    2006-07-01

    In such severe core damage accident, as small LOCAs with no ECCS injection or station blackout, in which the primary reactor system remains pressurized during core melt down, certain modes of vessel failure would lead to a high pressure ejection of molten core material. In case of a local failure of the lower head, the molten materials would initially be ejected into the cavity beneath the pressure vessel may subsequently be swept out from the cavity to the containment atmosphere and it might cause the early containment failure by direct contact of containment steel liner with core debris. When the contribution of a high-pressure scenario in a core damage frequency increases, early conditional containment failure probability may become large. In the present study, the verification analysis of PHOENICS code and the combining analysis with MELCOR and PHOENICS codes were performed to examine the debris dispersion behavior during high pressure melt ejection. The PHOENICS code which can treat thermal hydraulic phenomena, was applied to the verification analysis for melt dispersion experiments conducted by the Purdue university in the United States. A low pressure melt dispersion experiment at initial pressure 1.4 MPas used metal woods as a molten material was simulated. The analytical results with molten debris dispersion mostly from the model reactor cavity compartment showed an agreement with the experimental result, but the analysis result of a volumetric median diameter of the airborne debris droplets was estimated about 1.5 times of the experimental result. The injection rates of molten debris and steam after reactor vessel failure for a typical PWR plant were analyzed using the MELCOR code. In addition, PHOENICS was applied to a 3D analysis for debris dispersion with low primary pressure at the reactor vessel failure. The analysis result showed that almost all the molten debris were dispersed from the reactor vessel cavity compartment by about 45 seconds after the start of steam release. (authors)

  9. On calculating the equilibrium structure of molecular crystals.

    SciTech Connect (OSTI)

    Mattsson, Ann Elisabet; Wixom, Ryan R.; Mattsson, Thomas Kjell Rene

    2010-03-01

    The difficulty of calculating the ambient properties of molecular crystals, such as the explosive PETN, has long hampered much needed computational investigations of these materials. One reason for the shortcomings is that the exchange-correlation functionals available for Density Functional Theory (DFT) based calculations do not correctly describe the weak intermolecular van der Waals' forces present in molecular crystals. However, this weak interaction also poses other challenges for the computational schemes used. We will discuss these issues in the context of calculations of lattice constants and structure of PETN with a number of different functionals, and also discuss if these limitations can be circumvented for studies at non-ambient conditions.

  10. Direct Aerosol Forcing: Calculation from Observables and Sensitivities to

    Office of Scientific and Technical Information (OSTI)

    Inputs (Journal Article) | SciTech Connect Direct Aerosol Forcing: Calculation from Observables and Sensitivities to Inputs Citation Details In-Document Search Title: Direct Aerosol Forcing: Calculation from Observables and Sensitivities to Inputs Understanding sources of uncertainty in aerosol direct radiative forcing (DRF), the difference in a given radiative flux component with and without aerosol, is essential to quantifying changes in Earth's radiation budget. We examine the uncertainty

  11. Sensitivity analysis of coupled criticality calculations

    SciTech Connect (OSTI)

    Perko, Z.; Kloosterman, J. L.; Lathouwers, D.

    2012-07-01

    Perturbation theory based sensitivity analysis is a vital part of todays' nuclear reactor design. This paper presents an extension of standard techniques to examine coupled criticality problems with mutual feedback between neutronics and an augmenting system (for example thermal-hydraulics). The proposed procedure uses a neutronic and an augmenting adjoint function to efficiently calculate the first order change in responses of interest due to variations of the parameters describing the coupled problem. The effect of the perturbations is considered in two different ways in our study: either a change is allowed in the power level while maintaining criticality (power perturbation) or a change is allowed in the eigenvalue while the power is constrained (eigenvalue perturbation). The calculated response can be the change in the power level, the reactivity worth of the perturbation, or the change in any functional of the flux, the augmenting dependent variables and the input parameters. To obtain power- and criticality-constrained sensitivities power- and k-reset procedures can be applied yielding identical results. Both the theoretical background and an application to a one dimensional slab problem are presented, along with an iterative procedure to compute the necessary adjoint functions using the neutronics and the augmenting codes separately, thus eliminating the need of developing new programs to solve the coupled adjoint problem. (authors)

  12. Building Technologies Office: 179D DOE Calculator

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    179D DOE Calculator EERE Building Technologies Office 179D DOE Calculator Printable Version Bookmark and Share What is the 179D federal tax deduction? Section 179D of the...

  13. Relativistic Thomson Scatter from Factor Calculation

    Energy Science and Technology Software Center (OSTI)

    2009-11-01

    The purpose of this program is calculate the fully relativistic Thomson scatter from factor in unmagnetized plasmas. Such calculations are compared to experimental diagnoses of plasmas at such facilities as the Jupiter laser facility here a LLNL.

  14. Solar UV radiation exposure of seamen - Measurements, calibration and model calculations of erythemal irradiance along ship routes

    SciTech Connect (OSTI)

    Feister, Uwe; Meyer, Gabriele; Kirst, Ulrich

    2013-05-10

    Seamen working on vessels that go along tropical and subtropical routes are at risk to receive high doses of solar erythemal radiation. Due to small solar zenith angles and low ozone values, UV index and erythemal dose are much higher than at mid-and high latitudes. UV index values at tropical and subtropical Oceans can exceed UVI = 20, which is more than double of typical mid-latitude UV index values. Daily erythemal dose can exceed the 30-fold of typical midlatitude winter values. Measurements of erythemal exposure of different body parts on seamen have been performed along 4 routes of merchant vessels. The data base has been extended by two years of continuous solar irradiance measurements taken on the mast top of RV METEOR. Radiative transfer model calculations for clear sky along the ship routes have been performed that use satellite-based input for ozone and aerosols to provide maximum erythemal irradiance and dose. The whole data base is intended to be used to derive individual erythemal exposure of seamen during work-time.

  15. Quality Control Inspector: Different Programs, Different Responosibili...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Integral team members, like agency staff, can o4en iniDate follow---up immediately upon ... assumed role of the test taker is an integral team member, more typical of WAP inspectors. ...

  16. Effects of different SSI parameters on the floor response spectra of a nuclear Reactor Building

    SciTech Connect (OSTI)

    Kabir, A.F.; Maryak, M.E.; Malik, L.E.

    1991-12-31

    The effects of several critical soil-structure interaction (SSI) parameters on the floor response spectra (FRS) of a typical nuclear Reactor Building have been examined. These parameters are deconvolution effects (reductions in ground motion with depth), strain dependency of soil dynamic properties and calculation of impedance functions using different approaches. The significant conclusions of the study, which are applicable to a deeply embedded very rigid nuclear Reactor Building, are as follows: (1) FRS generated without considering scattering effects are highly conservative; (2) Differences between FRS, generated considering strain-dependency of soil dynamic properties, and those generated using low-strain values, are not significant; and (3) the lumped-parameter approach of SSI calculations, which only uses a single value of soil shear modulus in impedance calculations, may not be able to properly compute the soil impedances for a soil deposit with irregularly varying properties with depth. An SSI approach, which can explicitly consider these variations, needs to be used in FRS calculations in such cases.

  17. Effects of different SSI parameters on the floor response spectra of a nuclear Reactor Building

    SciTech Connect (OSTI)

    Kabir, A.F.; Maryak, M.E.; Malik, L.E.

    1991-01-01

    The effects of several critical soil-structure interaction (SSI) parameters on the floor response spectra (FRS) of a typical nuclear Reactor Building have been examined. These parameters are deconvolution effects (reductions in ground motion with depth), strain dependency of soil dynamic properties and calculation of impedance functions using different approaches. The significant conclusions of the study, which are applicable to a deeply embedded very rigid nuclear Reactor Building, are as follows: (1) FRS generated without considering scattering effects are highly conservative; (2) Differences between FRS, generated considering strain-dependency of soil dynamic properties, and those generated using low-strain values, are not significant; and (3) the lumped-parameter approach of SSI calculations, which only uses a single value of soil shear modulus in impedance calculations, may not be able to properly compute the soil impedances for a soil deposit with irregularly varying properties with depth. An SSI approach, which can explicitly consider these variations, needs to be used in FRS calculations in such cases.

  18. Chemical-equilibrium calculations for aqueous geothermal brines

    SciTech Connect (OSTI)

    Kerrisk, J.F.

    1981-05-01

    Results from four chemical-equilibrium computer programs, REDEQL.EPAK, GEOCHEM, WATEQF, and SENECA2, have been compared with experimental solubility data for some simple systems of interest with geothermal brines. Seven test cases involving solubilities of CaCO/sub 3/, amorphous SiO/sub 2/, CaSO/sub 4/, and BaSO/sub 4/ at various temperatures from 25 to 300/sup 0/C and in NaCl or HCl solutions of 0 to 4 molal have been examined. Significant differences between calculated results and experimental data occurred in some cases. These differences were traced to inaccuracies in free-energy or equilibrium-constant data and in activity coefficients used by the programs. Although currently available chemical-equilibrium programs can give reasonable results for these calculations, considerable care must be taken in the selection of free-energy data and methods of calculating activity coefficients.

  19. Calculation of variable-base degree-days and degree-nights from monthly average temperatures

    SciTech Connect (OSTI)

    Sonderegger, R.; Cleary, P.; Dickinson, B.

    1985-01-01

    The Computerized Instrumented Residential Audit (CIRA), a micro-computer building energy analysis program developed at Lawrence Berkeley Laboratory, uses a monthly variable-base degree-day method to calculate heating and cooling loads. The method's unique feature is its ability to model thermostat setbacks and storage of solar gain. The program accomplishes this by dividing each day into two periods, ''average day'' (8 a.m. to 8 p.m.) and ''average night'' (8 p.m. to 8 a.m.), with different base temperatures. For each mode (heating or cooling) and for each period (day or night), the program reconstructs degree-days as a function of average monthly day or night temperature using three empirical coefficients specific to the location. A comparison is made between degree-days computed from hourly weather tapes and those predicted using this method. The root mean square error between predicted and actual degree days is typically between 3 and 12 degree-days per month. Tables of the coefficients are given for over 150 locations in the United States, computed from hourly dry-bulb temperatures on TRY and TMY tapes. Seasonal predictions of heating and cooling energy budgets using this method show good correspondence to the DOE-2 hourly simulation method.

  20. Photovoltaics Economic Calculator (United States) | Open Energy...

    Open Energy Info (EERE)

    (United States) Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Photovoltaics Economic Calculator (United States) Focus Area: Solar Topics: System & Application...

  1. Urban Transportation Emission Calculator | Open Energy Information

    Open Energy Info (EERE)

    Calculator (UTEC) is a user-friendly tool for estimating annual emissions from personal, commercial, and public transit vehicles. It estimates greenhouse gas (GHG) and...

  2. Calculating Atomic Number Densities for Uranium

    Energy Science and Technology Software Center (OSTI)

    1993-01-01

    Provides method to calculate atomic number densities of selected uranium compounds and hydrogenous moderators for use in nuclear criticality safety analyses at gaseous diffusion uranium enrichment facilities.

  3. CUFR Tree Carbon Calculator | Open Energy Information

    Open Energy Info (EERE)

    Desktop Application Website: www.fs.fed.usccrctopicsurban-forestsctcc Cost: Free Language: English References: CUFR Tree Carbon Calculator1 Overview "The CUFR Tree Carbon...

  4. Distributed Energy Calculator | Open Energy Information

    Open Energy Info (EERE)

    ibutedenergycalculator.com OpenEI Keyword(s): Challenge Generated, Green Button Apps Language: English References: Apps for Energy1 The Distributed Energy Calculator allows you...

  5. Evaluation Of Chemical Geothermometers For Calculating Reservoir...

    Open Energy Info (EERE)

    Geothermometers For Calculating Reservoir Temperatures At Nevada Geothermal Power Plants Jump to: navigation, search OpenEI Reference LibraryAdd to library Conference Paper:...

  6. Incorporating Weather Data into Energy Savings Calculations

    Broader source: Energy.gov [DOE]

    Better Buildings Residential Network Peer Exchange Call Series: Incorporating Weather Data into Energy Savings Calculations, Call Slides and Discussion Summary, February 26, 2015.

  7. Cool Roof Calculator | Open Energy Information

    Open Energy Info (EERE)

    TOOL Name: Cool Roof Calculator AgencyCompany Organization: Oak Ridge National Laboratory Sector: Energy Focus Area: Buildings, Energy Efficiency Resource Type: Online...

  8. Calculating and Communicating Program Results | Department of...

    Broader source: Energy.gov (indexed) [DOE]

    Data and Evaluation Peer Exchange Call: Calculating and Communicating Program Results, Call Slides and Summary, February 23, 2012. Call Slides and Summary More Documents &...

  9. Identifying and bounding uncertainties in nuclear reactor thermal power calculations

    SciTech Connect (OSTI)

    Phillips, J.; Hauser, E.; Estrada, H.

    2012-07-01

    Determination of the thermal power generated in the reactor core of a nuclear power plant is a critical element in the safe and economic operation of the plant. Direct measurement of the reactor core thermal power is made using neutron flux instrumentation; however, this instrumentation requires frequent calibration due to changes in the measured flux caused by fuel burn-up, flux pattern changes, and instrumentation drift. To calibrate the nuclear instruments, steam plant calorimetry, a process of performing a heat balance around the nuclear steam supply system, is used. There are four basic elements involved in the calculation of thermal power based on steam plant calorimetry: The mass flow of the feedwater from the power conversion system, the specific enthalpy of that feedwater, the specific enthalpy of the steam delivered to the power conversion system, and other cycle gains and losses. Of these elements, the accuracy of the feedwater mass flow and the feedwater enthalpy, as determined from its temperature and pressure, are typically the largest contributors to the calorimetric calculation uncertainty. Historically, plants have been required to include a margin of 2% in the calculation of the reactor thermal power for the licensed maximum plant output to account for instrumentation uncertainty. The margin is intended to ensure a cushion between operating power and the power for which safety analyses are performed. Use of approved chordal ultrasonic transit-time technology to make the feedwater flow and temperature measurements (in place of traditional differential-pressure- based instruments and resistance temperature detectors [RTDs]) allows for nuclear plant thermal power calculations accurate to 0.3%-0.4% of plant rated power. This improvement in measurement accuracy has allowed many plant operators in the U.S. and around the world to increase plant power output through Measurement Uncertainty Recapture (MUR) up-rates of up to 1.7% of rated power, while also decreasing the probability of significant over-power events. This paper will examine the basic elements involved in calculation of thermal power using ultrasonic transit-time technology and will discuss the criteria for bounding uncertainties associated with each element in order to achieve reactor thermal power calculations to within 0.3% to 0.4%. (authors)

  10. Bill Calculator V1.0

    Energy Science and Technology Software Center (OSTI)

    2002-08-19

    Utitlity tariffs vary significantly from utility to utility. Each utility has its own rates and sets of rules by which bills are calculated. The Bill Calculator reconstructs the tariff based on these rules, stored in data tables, and access the appropriate charges for a given energy consumption and demand. The software reconstructs the tariff logic from the rules stored in data tables. Changes are tallied as the logic is reconstructed. This is essentially an accountingmore » program. The main limitation is on the time to search for each tariff element. It is currently on O(N) search. Also, since the Bill calculator first stores all tariffs in an array and then reads the array to reconstruct a specific tariff, the memory limitatins of a particular system would limit the number of tariffs that could be handled. This tool allows a user to calculate a bill from any sampled utility without prior knowledge of the tariff logic or structure. The peculiarities of the tariff logic are stored in data tables and manged by the Bill Calculator software. This version of the software is implemented as a VB module that operates within Microsoft Excel. Input data tables are stored in Excel worksheets. In this version the Bill Calculator functions can be assessed through Excel as user defined worksheet functions. Bill Calculator can calculate approximately 50,000 bills in less than 30 minutes.« less

  11. PVWatts (R) Calculator India (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2014-01-01

    The PVWatts (R) Calculator for India was released by the National Renewable Energy Laboratory in 2013. The online tool estimates electricity production and the monetary value of that production of grid-connected roof- or ground-mounted crystalline silicon photovoltaics systems based on a few simple inputs. This factsheet provides a broad overview of the PVWatts (R) Calculator for India.

  12. Unimolecular decomposition of methyltrichlorosilane: RRKM calculations

    SciTech Connect (OSTI)

    Osterheld, T.H.; Allendorf, M.D.; Melius, C.F.

    1993-06-01

    Based on reaction thermochemistry and estimates of Arrhenius A-factors, it is expected that Si-C bond cleavage, C-H bond cleavage, and HCl elimination will be the primary channels for the unimolecular decomposition of methyltrichlorosilane. Using RRKM theory, we calculated rate constants for these three reactions. The calculations support the conclusion that these three reactions are the major decomposition pathways. Rate constants for each reaction were calculated in the high-pressure limit (800--1500 K) and in the falloff regime (1300--1500 K) for bath gases of both helium and hydrogen. These calculations thus provide branching fractions as well as decomposition rates. We also calculated bimolecular rate constants for the overall decomposition in the low-pressure limit. Interesting and surprising kinetic behavior of this system and the individual reactions is discussed. The reactivity of this chlorinated organosilane is compared to that of other organosilanes.

  13. Theory and calculations of synchrotron instabilities and feedback-mechanism

    SciTech Connect (OSTI)

    Meijssen, T.E.M.

    1981-08-12

    The properties of the phenomenon synchrotron radiation are given with general theory on the basic processes and betatron and synchrotron oscillations. A more extended theoretical view at transverse instabilities and the influence of a damping feedback system are discussed. The longitudinal case is covered. For the calculations on the longitudinal case with M equally spaced pointbunches, with N electrons each, in the storage ring, the parasitic modes of the radio-frequency cavity were measured. A description of this is given. The values of damping rates of the longitudinal feedback system found, are as expected, but too low to damp the longitudinal instabilities calculated. This might be caused by the input data. The calculated growth rates are very sensitive to changes in frequency and width of the parasitic modes, which were measured under conditions differing slightly from the operating conditions.

  14. Analysis of high pressure boil-off situation during MSIV closure ATWS in a typical BWR/4

    SciTech Connect (OSTI)

    Neymotin, L.Y.; Slovik, G.C.; Saha, P.

    1986-01-01

    The objective of this paper is to provide a best-estimate analysis of the MSIV Closure ATWS in the Browns Ferry Unit 1 BWR with Mark 1 containment. The calculations have been performed using the RAMONA-3B code which has a three-dimensional neutron kinetics model coupled with one-dimensional (multi-channel core representation), four-equation, nonhomogeneous, nonequilibrium thermal hydraulics. The code also allows for one-dimensional neutronic core representation. The 1-D capability of the code has been employed in this calculation since a thorough sensitivity study showed that for a full ATWS, a one-dimensional (axial) neutron kinetics adequately describes the core behavior. (Note that the core steady-state symmetry in this case was preserved throughout the transient so that radial effects could be neglected.) The calculation described in the paper was started from a steady-state fuel condition corresponding to the end of Cycle 5 of the Browns Ferry reactor.

  15. Historical river flow rates for dose calculations

    SciTech Connect (OSTI)

    Carlton, W.H.

    1991-06-10

    Annual average river flow rates are required input to the LADTAP Computer Code for calculating offsite doses from liquid releases of radioactive materials to the Savannah River. The source of information on annual river flow rates used in dose calculations varies, depending on whether calculations are for retrospective releases or prospective releases. Examples of these types of releases are: Retrospective - releases from routine operations (annual environmental reports) and short term release incidents that have occurred. Prospective - releases that might be expected in the future from routine or abnormal operation of existing or new facilities (EIS`s, EID`S, SAR`S, etc.). This memorandum provides historical flow rates at the downstream gauging station at Highway 301 for use in retrospective dose calculations and derives flow rate data for the Beaufort-Jasper and Port Wentworth water treatment plants.

  16. First principle thousand atom quantum dot calculations

    SciTech Connect (OSTI)

    Wang, Lin-Wang; Li, Jingbo

    2004-03-30

    A charge patching method and an idealized surface passivation are used to calculate the single electronic states of IV-IV, III-V, II-VI semiconductor quantum dots up to a thousand atoms. This approach scales linearly and has a 1000 fold speed-up compared to direct first principle methods with a cost of eigen energy error of about 20 meV. The calculated quantum dot band gaps are parametrized for future references.

  17. Dipping of terms in atomic calculations

    SciTech Connect (OSTI)

    Zelichenko, V.M.; Samsonov, B.F.; Nyavro, A.V.

    1983-11-01

    The paper discusses the orthogonality conditions for calculations in the single-configuration approximation of the autoionization states 1s2s/sup 2/ and 2s/sup 2/ in Li and He/sup -/ and He and He/sup -/, respectively. The necessity is demonstrated of considering the conditions of orthogonality of the complete wave functions of these configurations to the wave functions of the corresponding continuous spectrum in the calculation of energy by means of the variational method.

  18. Wave packet and statistical quantum calculations for the He + NeH{sup +} → HeH{sup +} + Ne reaction on the ground electronic state

    SciTech Connect (OSTI)

    Koner, Debasish; Panda, Aditya N.; Barrios, Lizandra; González-Lezana, Tomás

    2014-09-21

    A real wave packet based time-dependent method and a statistical quantum method have been used to study the He + NeH{sup +} (v, j) reaction with the reactant in various ro-vibrational states, on a recently calculated ab initio ground state potential energy surface. Both the wave packet and statistical quantum calculations were carried out within the centrifugal sudden approximation as well as using the exact Hamiltonian. Quantum reaction probabilities exhibit dense oscillatory pattern for smaller total angular momentum values, which is a signature of resonances in a complex forming mechanism for the title reaction. Significant differences, found between exact and approximate quantum reaction cross sections, highlight the importance of inclusion of Coriolis coupling in the calculations. Statistical results are in fairly good agreement with the exact quantum results, for ground ro-vibrational states of the reactant. Vibrational excitation greatly enhances the reaction cross sections, whereas rotational excitation has relatively small effect on the reaction. The nature of the reaction cross section curves is dependent on the initial vibrational state of the reactant and is typical of a late barrier type potential energy profile.

  19. Energy-Performance-Based Design-Build Process: Strategies for Procuring High-Performance Buildings on Typical Construction Budgets: Preprint

    SciTech Connect (OSTI)

    Scheib, J.; Pless, S.; Torcellini, P.

    2014-08-01

    NREL experienced a significant increase in employees and facilities on our 327-acre main campus in Golden, Colorado over the past five years. To support this growth, researchers developed and demonstrated a new building acquisition method that successfully integrates energy efficiency requirements into the design-build requests for proposals and contracts. We piloted this energy performance based design-build process with our first new construction project in 2008. We have since replicated and evolved the process for large office buildings, a smart grid research laboratory, a supercomputer, a parking structure, and a cafeteria. Each project incorporated aggressive efficiency strategies using contractual energy use requirements in the design-build contracts, all on typical construction budgets. We have found that when energy efficiency is a core project requirement as defined at the beginning of a project, innovative design-build teams can integrate the most cost effective and high performance efficiency strategies on typical construction budgets. When the design-build contract includes measurable energy requirements and is set up to incentivize design-build teams to focus on achieving high performance in actual operations, owners can now expect their facilities to perform. As NREL completed the new construction in 2013, we have documented our best practices in training materials and a how-to guide so that other owners and owner's representatives can replicate our successes and learn from our experiences in attaining market viable, world-class energy performance in the built environment.

  20. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 4

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-07-24

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable. The objective of this calculation is to perform the structural analysis of the Pipe Supports designed for Slurry and Supernate transfer pipe lines in order to meet the requirements of applicable ASME codes. The pipe support design loads are obtained from the piping stress calculations W320-27-I-4 and W320-27-I-5. These loads are the total summation of the gravity, pressure, thermal and seismic loads. Since standard typical designs are used for each type of pipe support such as Y-Stop, Guide and Anchors, each type of support is evaluated for the maximum loads to which this type of supports are subjected. These loads are obtained from the AutoPipe analysis and used to check the structural adequacy of these supports.

  1. Isothermal Multiphase Flash Calculations with the PC-SAFT Equation of State

    SciTech Connect (OSTI)

    Justo-Garcia, Daimler N.; Garcia-Sanchez, Fernando; Romero-Martinez, Ascencion

    2008-03-05

    A computational approach for isothermal multiphase flash calculations with the PC-SAFT (Perturbed-Chain Statistical Associating Fluid Theory) equation of state is presented. In the framework of the study of fluid phase equilibria of multicomponent systems, the general multiphase problem is the single most important calculation which consists of finding the correct number and types of phases and their corresponding equilibrium compositions such that the Gibbs energy of the system is a minimum. For solving this problem, the system Gibbs energy was minimized using a rigorous method for thermodynamic stability analysis to find the most stable state of the system. The efficiency and reliability of the approach to predict and calculate complex phase equilibria are illustrated by solving three typical problems encountered in the petroleum industry.

  2. Radiological Dose Calculations for Fusion Facilities

    SciTech Connect (OSTI)

    Michael L. Abbott; Lee C. Cadwallader; David A. Petti

    2003-04-01

    This report summarizes the results and rationale for radiological dose calculations for the maximally exposed individual during fusion accident conditions. Early doses per unit activity (Sieverts per TeraBecquerel) are given for 535 magnetic fusion isotopes of interest for several release scenarios. These data can be used for accident assessment calculations to determine if the accident consequences exceed Nuclear Regulatory Commission and Department of Energy evaluation guides. A generalized yearly dose estimate for routine releases, based on 1 Terabecquerel unit releases per radionuclide, has also been performed using averaged site parameters and assumed populations. These routine release data are useful for assessing designs against US Environmental Protection Agency yearly release limits.

  3. Evaluation of experimentally measured and model-calculated pH for rock-brine-CO2 systems under geologic CO2 sequestration conditions

    SciTech Connect (OSTI)

    Shao, Hongbo; Thompson, Christopher J.; Cantrell, Kirk J.

    2013-11-14

    pH is an essential parameter for understanding the geochemical reactions that occur in rock-brine-CO2 systems when CO2 is injected into deep geologic formations for long-term storage. Due to a lack of reliable experimental methods, most laboratory studies conducted under geological CO2 sequestration (GCS) conditions have relied on thermodynamic modeling to estimate pH. The accuracy of these model predictions is typically uncertain. In our previous work, we have developed a method for pH determination by in-situ spectrophotometry. In the present work, we expanded the applicable pH range for this method and measured the pH of several rock-brine-CO2 systems at GCS conditions for five rock samples collected from ongoing GCS demonstration projects. Experimental measurements were compared with pH values calculated using several geochemical modeling approaches. The effect of different thermodynamic databases on the accuracy of model prediction was evaluated. Results indicate that the accuracy of model calculations is rock-dependent. For rocks comprised of carbonate and sandstone, model results generally agreed well with experimentally measured pH; however, for basalt, significant differences were observed. These discrepancies may be due to the models’ failure to fully account for certain reaction occurring between the basalt minerals the CO2-saturated brine solutions.

  4. MEAM interatomic force calculation subroutine for LAMMPS

    Energy Science and Technology Software Center (OSTI)

    2010-10-25

    Interatomic force and energy calculation subroutine tobe used with the molecular dynamics simulation code LAMMPS (Ref a.). The code evaluates the total energy and atomic forces (energy gradient) according to cubic spine-based variant (Ref b.) of the Modified Embedded Atom Method (MEAM).

  5. Calculated fission properties of the heaviest elements

    SciTech Connect (OSTI)

    Moeller, P.; Nix, J.R.; Swiatecki, W.J.

    1986-09-01

    A quantitative calculation is presented that shows where high-kinetic-energy symmetric fission occurs and why it is associated with a sudden and large decrease in fission half-lives. The study is based on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. For the macroscopic part a Yukawa-plus-exponential model is used and for the microscopic part a folded-Yukawa single-particle potential is used. The three-quadratic-surface parameterization generates shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. The results of the calculations in terms of potential-energy surfaces and fission half-lives are presented for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. 53 refs., 15 figs., 1 tab.

  6. Supplemental Reactor Physics Calculations and Analysis of ELF Mk 1A Fuel

    SciTech Connect (OSTI)

    Michael A. Pope

    2014-10-01

    These calculations supplement previous the reactor physics work evaluating the Enhanced Low Enriched Uranium (LEU) Fuel (ELF) Mk 1A element. This includes various additional comparisons between the current Highly Enriched Uranium (HEU) and LEU along with further characterization of the performance of the ELF fuel. The excess reactivity to be held down at BOC for ELF Mk 1A fuel is estimated to be approximately $2.75 greater than with HEU for a typical cycle. This is a combined effect of the absence of burnable poison in the ELF fuel and the reduced neck shim worth in LEU fuel compared to HEU. Burnable poison rods were conceptualized for use in the small B positions containing Gd2O3 absorber. These were shown to provide $2.37 of negative reactivity at BOC and to burn out in less than half of a cycle. The worth of OSCCs is approximately the same between HEU and ELF Mk 1A (LEU) fuels in the representative loading evaluated. This was evaluated by rotating all banks simultaneously. The safety rod worth is relatively unchanged between HEU and ELF Mk 1A (LEU) fuels in the representative loading evaluated. However, this should be reevaluated with different loadings. Neutron flux, both total and fast (>1 MeV), is either the same or reduced upon changing from HEU to ELF Mk 1A (LEU) fuels in the representative loading evaluated. This is consistent with the well-established trend of lower neutron fluxes for a given power in LEU than HEU.The IPT loop void reactivity is approximately the same or less positive with ELF Mk 1A (LEU) fuel than HEU in the representative loading evaluated.

  7. Carbon Calculator for Land Use Change from Biofuels Production (CCLUB). Users' Manual and Technical Documentation

    SciTech Connect (OSTI)

    Dunn, Jennifer B.; Qin, Zhangcai; Mueller, Steffen; Kwon, Ho-young; Wander, Michelle M.; Wang, Michael

    2014-09-01

    The Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, Miscanthus, and switchgrass. This document discusses the version of CCLUB released September 30, 2014 which includes corn and three cellulosic feedstocks: corn stover, Miscanthus, and switchgrass.

  8. Benchmarking kinetic calculations of resistive wall mode stability

    SciTech Connect (OSTI)

    Berkery, J. W.; Sabbagh, S. A.; Liu, Y. Q.; Betti, R.

    2014-05-15

    Validating the calculations of kinetic resistive wall mode (RWM) stability is important for confidently predicting RWM stable operating regions in ITER and other high performance tokamaks for disruption avoidance. Benchmarking the calculations of the Magnetohydrodynamic Resistive SpectrumKinetic (MARS-K) [Y. Liu et al., Phys. Plasmas 15, 112503 (2008)], Modification to Ideal Stability by Kinetic effects (MISK) [B. Hu et al., Phys. Plasmas 12, 057301 (2005)], and Perturbed Equilibrium Nonambipolar Transport (PENT) [N. Logan et al., Phys. Plasmas 20, 122507 (2013)] codes for two Solov'ev analytical equilibria and a projected ITER equilibrium has demonstrated good agreement between the codes. The important particle frequencies, the frequency resonance energy integral in which they are used, the marginally stable eigenfunctions, perturbed Lagrangians, and fluid growth rates are all generally consistent between the codes. The most important kinetic effect at low rotation is the resonance between the mode rotation and the trapped thermal particle's precession drift, and MARS-K, MISK, and PENT show good agreement in this term. The different ways the rational surface contribution was treated historically in the codes is identified as a source of disagreement in the bounce and transit resonance terms at higher plasma rotation. Calculations from all of the codes support the present understanding that RWM stability can be increased by kinetic effects at low rotation through precession drift resonance and at high rotation by bounce and transit resonances, while intermediate rotation can remain susceptible to instability. The applicability of benchmarked kinetic stability calculations to experimental results is demonstrated by the prediction of MISK calculations of near marginal growth rates for experimental marginal stability points from the National Spherical Torus Experiment (NSTX) [M. Ono et al., Nucl. Fusion 40, 557 (2000)].

  9. Calculates Neutron Production in Canisters of High-level Waste

    Energy Science and Technology Software Center (OSTI)

    1993-01-15

    ALPHN calculates the (alpha,n) neutron production rate of a canister of vitrified high-level waste. The user supplies the chemical composition of the glass or glass-ceramic and the curies of the alpha-emitting actinides present. The output of the program gives the (alpha,n) neutron production of each actinide in neutrons per second and the total for the canister. The (alpha,n) neutron production rates are source terms only; that is, they are production rates within the glass andmore » do not take into account the shielding effect of the glass. For a given glass composition, the user can calculate up to eight cases simultaneously; these cases are based on the same glass composition but contain different quantities of actinides per canister.« less

  10. Brachytherapy structural shielding calculations using Monte Carlo generated, monoenergetic data

    SciTech Connect (OSTI)

    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 this work allow for the accurate calculation of structural shielding thickness, taking into account the spectral variation with shield thickness, and broad beam conditions, in a realistic geometry. The simplicity of calculations also obviates the need for the use of crude transmission data estimates such as the half and tenth value layer indices. Although this study was primarily designed for brachytherapy, results might also be useful for radiology and nuclear medicine facility design, provided broad beam conditions apply.

  11. CANISTER HANDLING FACILITY CRITICALITY SAFETY CALCULATIONS

    SciTech Connect (OSTI)

    C.E. Sanders

    2005-04-07

    This design calculation revises and updates the previous criticality evaluation for the canister handling, transfer and staging operations to be performed in the Canister Handling Facility (CHF) documented in BSC [Bechtel SAIC Company] 2004 [DIRS 167614]. The purpose of the calculation is to demonstrate that the handling operations of canisters performed in the CHF meet the nuclear criticality safety design criteria specified in the ''Project Design Criteria (PDC) Document'' (BSC 2004 [DIRS 171599], Section 4.9.2.2), the nuclear facility safety requirement in ''Project Requirements Document'' (Canori and Leitner 2003 [DIRS 166275], p. 4-206), the functional/operational nuclear safety requirement in the ''Project Functional and Operational Requirements'' document (Curry 2004 [DIRS 170557], p. 75), and the functional nuclear criticality safety requirements described in the ''Canister Handling Facility Description Document'' (BSC 2004 [DIRS 168992], Sections 3.1.1.3.4.13 and 3.2.3). Specific scope of work contained in this activity consists of updating the Category 1 and 2 event sequence evaluations as identified in the ''Categorization of Event Sequences for License Application'' (BSC 2004 [DIRS 167268], Section 7). The CHF is limited in throughput capacity to handling sealed U.S. Department of Energy (DOE) spent nuclear fuel (SNF) and high-level radioactive waste (HLW) canisters, defense high-level radioactive waste (DHLW), naval canisters, multicanister overpacks (MCOs), vertical dual-purpose canisters (DPCs), and multipurpose canisters (MPCs) (if and when they become available) (BSC 2004 [DIRS 168992], p. 1-1). It should be noted that the design and safety analyses of the naval canisters are the responsibility of the U.S. Department of the Navy (Naval Nuclear Propulsion Program) and will not be included in this document. In addition, this calculation is valid for the current design of the CHF and may not reflect the ongoing design evolution of the facility. However, it is anticipated that design changes to the facility layout will have little or no impact on the criticality results and/or conclusions presented in this document. This calculation is subject to the ''Quality Assurance Requirements and Description'' (DOE 2004 [DIRS 171539]) because the CHF is included in the Q-List (BSC 2005 [DIRS 171190], p. A-3) as an item important to safety. This calculation is prepared in accordance with AP-3.12Q, ''Design Calculations and Analyses'' [DIRS 168413].

  12. A Methodology for Calculating Radiation Signatures

    SciTech Connect (OSTI)

    Klasky, Marc Louis; Wilcox, Trevor; Bathke, Charles G.; James, Michael R.

    2015-05-01

    A rigorous formalism is presented for calculating radiation signatures from both Special Nuclear Material (SNM) as well as radiological sources. The use of MCNP6 in conjunction with CINDER/ORIGEN is described to allow for the determination of both neutron and photon leakages from objects of interest. In addition, a description of the use of MCNP6 to properly model the background neutron and photon sources is also presented. Examinations of the physics issues encountered in the modeling are investigated so as to allow for guidance in the user discerning the relevant physics to incorporate into general radiation signature calculations. Furthermore, examples are provided to assist in delineating the pertinent physics that must be accounted for. Finally, examples of detector modeling utilizing MCNP are provided along with a discussion on the generation of Receiver Operating Curves, which are the suggested means by which to determine detectability radiation signatures emanating from objects.

  13. Typical BWR/4 MSIV closure ATWS analysis using RAMONA-3B code with space-time neutron kinetics

    SciTech Connect (OSTI)

    Neymotin, L.; Saha, P.

    1984-01-01

    A best-estimate analysis of a typical BWR/4 MSIV closure ATWS has been performed using the RAMONA-3B code with three-dimensional neutron kinetics. All safety features, namely, the safety and relief valves, recirculation pump trip, high pressure safety injections and the standby liquid control system (boron injection), were assumed to work as designed. No other operator action was assumed. The results show a strong spatial dependence of reactor power during the transient. After the initial peak of pressure and reactor power, the reactor vessel pressure oscillated between the relief valve set points, and the reactor power oscillated between 20 to 50% of the steady state power until the hot shutdown condition was reached at approximately 1400 seconds. The suppression pool bulk water temperature at this time was predicted to be approx. 96/sup 0/C (205/sup 0/F). In view of code performance and reasonable computer running time, the RAMONA-3B code is recommended for further best-estimate analyses of ATWS-type events in BWRs.

  14. Minimum Day Time Load Calculation and Screening

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Minimum Day Time Load Calculation and Screening" Dora Nakafuji and Anthony Hong, Hawaiian Electric Co. Babak Enayati, DG Techincal Standards Review Group April 30, 2014 2 Speakers Babak Enayati Chair of Massachusetts DG Technical Standards Review Group Dora Nakafuji Director of Renewable Energy Planning Hawaiian Electric Company (HECO) Kristen Ardani Solar Analyst, (today's moderator) NREL Anthony Hong Director of Distribution Planning Hawaiian Electric Company (HECO) Standardization of

  15. Historical development of building energy calculations

    SciTech Connect (OSTI)

    Ayres, J.M.; Stamper, E.

    1995-08-01

    One of the most significant events in the history of ASHRAE has been its ability to respond to the societal need to reduce energy use in buildings. The development of computer technology and the scare of an Arab oil embargo in the early 1970s stimulated rapid improvements in calculation procedures to predict the thermal performance and energy requirements of buildings. Renewed interest in solar energy applications during that period attracted new scientific talent into ASHRAE, but it was primarily the use of computers for peak-load and energy calculations that attracted the brightest and most talented young engineers into the Society. It is important to note that almost all of the fundamental developments in energy calculation procedures resulted from governmental support. On a national level, it was funding from the U.S. Post Office Department (POD), the US Department of Energy (DOE)--formerly the Energy Research and Development Administration (ERDA), and the US Department of Defense (DOD) that resulted in the two major public domain programs--DOE-2 (LBL 1979) and BLAST (Hittle 1977). This support has been continuous since 1973 and, as discussed later, it evolved from two competing load calculation methodologies. All of the DOD funds were focused at the US Army Construction Engineering Research Laboratory (CERL), while DOE funds were distributed among various governmental laboratories that competed each year for funding from Washington, DC. This led to a curious history in the development of DOE-2, in which several national laboratories made important technical contributions in the early years. These laboratories were Argon National Laboratory (ANL), Los Alamos Scientific Laboratory (LASL), and Lawrence Berkeley Laboratory (LBL). The DOE funding diminished quickly over time at ANL and somewhat later at LASL. LBL rapidly became the lead laboratory for the addition of new developments and maintenance of DOE-2.

  16. Radiative accelerations for evolutionary model calculations

    SciTech Connect (OSTI)

    Richer, J.; Michaud, G.; Rogers, F.; Iglesias, C.; Turcotte, S.; LeBlanc, F.

    1998-01-01

    Monochromatic opacities from the OPAL database have been used to calculate radiative accelerations for the 21 included chemical species. The 10{sup 4} frequencies used are sufficient to calculate the radiative accelerations of many elements for T{gt}10{sup 5}K, using frequency sampling. This temperature limit is higher for less abundant elements. As the abundances of Fe, He, or O are varied, the radiative acceleration of other elements changes, since abundant elements modify the frequency dependence of the radiative flux and the Rosseland opacity. Accurate radiative accelerations for a given element can only be obtained by allowing the abundances of the species that contribute most to the Rosseland opacity to vary during the evolution and recalculating the radiative accelerations and the Rosseland opacity during the evolution. There are physical phenomena that cannot be included in the calculations if one uses only the OPAL data. For instance, one should correct for the momentum given to the electron in a photoionization. Such effects are evaluated using atomic data from Opacity Project, and correction factors are given. {copyright} {ital 1998} {ital The American Astronomical Society}

  17. Hybrid reduced order modeling for assembly calculations

    SciTech Connect (OSTI)

    Bang, Y.; Abdel-Khalik, H. S.; Jessee, M. A.; Mertyurek, U.

    2013-07-01

    While the accuracy of assembly calculations has considerably improved due to the increase in computer power enabling more refined description of the phase space and use of more sophisticated numerical algorithms, the computational cost continues to increase which limits the full utilization of their effectiveness for routine engineering analysis. Reduced order modeling is a mathematical vehicle that scales down the dimensionality of large-scale numerical problems to enable their repeated executions on small computing environment, often available to end users. This is done by capturing the most dominant underlying relationships between the model's inputs and outputs. Previous works demonstrated the use of the reduced order modeling for a single physics code, such as a radiation transport calculation. This manuscript extends those works to coupled code systems as currently employed in assembly calculations. Numerical tests are conducted using realistic SCALE assembly models with resonance self-shielding, neutron transport, and nuclides transmutation/depletion models representing the components of the coupled code system. (authors)

  18. Comparison of direct numerical simulation of lean premixed methane-air flames with strained laminar flame calculations.

    SciTech Connect (OSTI)

    Chen, Jacqueline H.; Hawkes, Evatt R.

    2004-08-01

    Direct numerical simulation (DNS) with complex chemistry was used to study statistics of displacement and consumption speeds in turbulent lean premixed methane-air flames. The main focus of the study is an evaluation of the extent to which a turbulent flame in the thin reaction zones regime can be described by an ensemble of strained laminar flames. Conditional averages with respect to strain for displacement and consumption speeds are presented over a wide range of strain typically encountered in a turbulent flame, compared with previous studies that either made local pointwise comparisons or conditioned the data on small strain and curvature. The conditional averages for positive strains are compared with calculated data from two different canonical strained laminar configurations to determine which is the optimal representation of a laminar flame structure embedded in a turbulent flame: the reactant-to-product (R-to-P) configuration or the symmetric twin flame configuration. Displacement speed statistics are compared for the progress-variable isosurface of maximum reaction rate and an isosurface toward the fresh gases, which are relevant for both modeling and interpretation of experiment results. Displacement speeds in the inner reaction layer are found to agree very well with the laminar R-to-P calculations over a wide range of strain for higher Damkhler number conditions, well beyond the regime in which agreement was expected. For lower Damkhler numbers, a reduced response to strain is observed, consistent with previous studies and theoretical expectations. Compared with the inner layer, broader and shifted probability density functions (PDFs) of displacement speed were observed in the fresh gases, and the agreement with the R-to-P calculations deteriorated. Consumption speeds show a poorer agreement with strained laminar calculations, which is attributed to multidimensional effects and a more attenuated unsteady response to strain fluctuations; however, they also show less departure from the unstrained laminar value, suggesting that detailed modeling of this quantity may not be critical for the conditions considered. For all quantities investigated, including CO production, the R-to-P laminar configuration provides an improved description relative to the twin flame configuration, which predicts qualitatively incorrect trends and overestimates extinction.

  19. End-to-end calculation of the radiation characteristics of VVER-1000 spent fuel assemblies

    SciTech Connect (OSTI)

    Linge, I. I.; Mitenkova, E. F. Novikov, N. V.

    2012-12-15

    The results of end-to-end calculation of the radiation characteristics of VVER-1000 spent nuclear fuel are presented. Details of formation of neutron and gamma-radiation sources are analyzed. Distributed sources of different types of radiation are considered. A comparative analysis of calculated radiation characteristics is performed with the use of nuclear data from different ENDF/B and EAF files and ANSI/ANS and ICRP standards.

  20. Development of Subspace-based Hybrid Monte Carlo-Deterministric Algorithms for Reactor Physics Calculations

    SciTech Connect (OSTI)

    Abdel-Khalik, Hany S.; Zhang, Qiong

    2014-05-20

    The development of hybrid Monte-Carlo-Deterministic (MC-DT) approaches, taking place over the past few decades, have primarily focused on shielding and detection applications where the analysis requires a small number of responses, i.e. at the detector locations(s). This work further develops a recently introduced global variance reduction approach, denoted by the SUBSPACE approach is designed to allow the use of MC simulation, currently limited to benchmarking calculations, for routine engineering calculations. By way of demonstration, the SUBSPACE approach is applied to assembly level calculations used to generate the few-group homogenized cross-sections. These models are typically expensive and need to be executed in the order of 103 - 105 times to properly characterize the few-group cross-sections for downstream core-wide calculations. Applicability to k-eigenvalue core-wide models is also demonstrated in this work. Given the favorable results obtained in this work, we believe the applicability of the MC method for reactor analysis calculations could be realized in the near future.

  1. Novel Approach for Calculation and Analysis of Eigenvalues and Eigenvectors in Microgrids: Preprint

    SciTech Connect (OSTI)

    Li, Y.; Gao, W.; Muljadi, E.; Jiang, J.

    2014-02-01

    This paper proposes a novel approach based on matrix perturbation theory to calculate and analyze eigenvalues and eigenvectors in a microgrid system. Rigorous theoretical analysis to solve eigenvalues and the corresponding eigenvectors for a system under various perturbations caused by fluctuations of irradiance, wind speed, or loads is presented. A computational flowchart is proposed for the unified solution of eigenvalues and eigenvectors in microgrids, and the effectiveness of the matrix perturbation-based approach in microgrids is verified by numerical examples on a typical low-voltage microgrid network.

  2. Ab initio calculations of the electronic structure of silicon nanocrystals doped with shallow donors (Li, P)

    SciTech Connect (OSTI)

    Kurova, N. V. Burdov, V. A.

    2013-12-15

    The results of ab initio calculations of the electronic structure of Si nanocrystals doped with shallow donors (Li, P) are reported. It is shown that phosphorus introduces much more significant distortions into the electronic structure of the nanocrystal than lithium, which is due to the stronger central cell potential of the phosphorus ion. It is found that the Li-induced splitting of the ground state in the conduction band of the nanocrystal into the singlet, doublet, and triplet retains its inverse structure typical for bulk silicon.

  3. Molecular resonance phenomena. [Calculation of resonance widths

    SciTech Connect (OSTI)

    Hazi, A.U.

    1980-01-01

    It is attempted to show that the Stieltjes-moment-theory provides a practical and a reasonably accurate method for calculating the widths of molecular resonances. The method seems to possess a number of advantages for molecular applications, since it avoids the explicit construction of continuum wavefunctions. It is very simple to implement the technique numerically, because it requires only existing bound-state electronic structure codes. Through the use of configuration interaction techniques, many-electron correlation and polarization effects can be included in the description of both the resonance and the non-resonant background continuum. To illustrate the utility and the accuracy of the Stieltjes-moment-theory technique, used in conjunction with configuration interaction (CI) wave functions, recent applications to the /sup 1/..sigma../sub u/(1sigma/sub u/ 2sigma/sub g/) autoionizing resonance state of H/sub 2/ and the well known /sup 2/PI/sub g/ state of N/sub 2//sup -/ are discussed. The choices of the one-electron basis sets and the types of many-electron configurations appropriate for these two cases are described. Also, guidelines for the selection of the projection operators defining the resonant and non-resonant subspaces in the case of both Feshbach and shape-resonances are given. The numerical results indicate that the Stieltjes-moment-theory technique, which employs L/sup 2/ basis functions exclusively, produces as accurate resonance parameters as can be extracted from direct electron-molecule scattering calculations, provided approximately the same approximations are used to describe important physical effects such as target polarization. Furthermore the method provides sufficiently accurate fixed-nuclei electronic resonance parameters to be used in ab initio calculation of resonant vibrational excitation cross sections. (WHK)

  4. Linear Transformation Method for Multinuclide Decay Calculation

    SciTech Connect (OSTI)

    Ding Yuan

    2010-12-29

    A linear transformation method for generic multinuclide decay calculations is presented together with its properties and implications. The method takes advantage of the linear form of the decay solution N(t) = F(t)N{sub 0}, where N(t) is a column vector that represents the numbers of atoms of the radioactive nuclides in the decay chain, N{sub 0} is the initial value vector of N(t), and F(t) is a lower triangular matrix whose time-dependent elements are independent of the initial values of the system.

  5. Rooftop Unit Comparison Calculator User Manual

    SciTech Connect (OSTI)

    Miller, James D.

    2015-04-30

    This document serves as a user manual for the Packaged rooftop air conditioners and heat pump units comparison calculator (RTUCC) and is an aggregation of the calculator’s website documentation. Content ranges from new-user guide material like the “Quick Start” to the more technical/algorithmic descriptions of the “Methods Pages.” There is also a section listing all the context-help topics that support the features on the “Controls” page. The appendix has a discussion of the EnergyPlus runs that supported the development of the building-response models.

  6. Quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be with meson-exchange currents derived from chiral effective field theory

    SciTech Connect (OSTI)

    Pastore, S.; Wiringa, Robert B.; Pieper, Steven C.; Schiavilla, Rocco

    2014-08-01

    We report quantum Monte Carlo calculations of electromagnetic transitions in $^8$Be. The realistic Argonne $v_{18}$ two-nucleon and Illinois-7 three-nucleon potentials are used to generate the ground state and nine excited states, with energies that are in excellent agreement with experiment. A dozen $M1$ and eight $E2$ transition matrix elements between these states are then evaluated. The $E2$ matrix elements are computed only in impulse approximation, with those transitions from broad resonant states requiring special treatment. The $M1$ matrix elements include two-body meson-exchange currents derived from chiral effective field theory, which typically contribute 20--30\\% of the total expectation value. Many of the transitions are between isospin-mixed states; the calculations are performed for isospin-pure states and then combined with the empirical mixing coefficients to compare to experiment. In general, we find that transitions between states that have the same dominant spatial symmetry are in decent agreement with experiment, but those transitions between different spatial symmetries are often significantly underpredicted.

  7. Building America Case Study: Calculating Design Heating Loads for Superinsulated Buildings, Ithaca, New York; Technology Solutions for New and Existing Homes, Energy Efficiency & Renewable Energy (EERE)

    SciTech Connect (OSTI)

    2015-08-01

    Designing a superinsulated home has many benefits including improved comfort, reduced exterior noise penetration, lower energy bills, and the ability to withstand power and fuel outages under much more comfortable conditions than a typical home. Extremely low heating and cooling loads equate to much smaller HVAC equipment than conventionally required. Sizing the mechanical system to these much lower loads reduces first costs and the size of the distribution system needed. While these homes aren't necessarily constructed with excessive mass in the form of concrete floors and walls, the amount of insulation and the increase in the thickness of the building envelope can lead to a mass effect, resulting in the structures ability to store much more heat than a code built home. This results in a very low thermal inertia making the building much less sensitive to drastic temperature swings thereby decreasing the peak heating load demand. Alternative methods that take this inertia into account along with solar and internal gains result in smaller more appropriate design loads than those calculated using Manual J version 8. During the winter of 2013/2014, CARB monitored the energy use of three homes in climate zone 6 in an attempt to evaluate the accuracy of two different mechanical system sizing methods for low load homes. Based on the results, it is recommended that internal and solar gains be included and some credit for thermal inertia be used in sizing calculations for superinsulated homes.

  8. Lattice calculation of nonleptonic charm decays

    SciTech Connect (OSTI)

    Simone, J.N.

    1991-11-01

    The decays of charmed mesons into two body nonleptonic final states are investigated. Weak interaction amplitudes of interest in these decays are extracted from lattice four-point correlation functions using a effective weak Hamiltonian including effects to order G{sub f} in the weak interactions yet containing effects to all orders in the strong interactions. The lattice calculation allows a quantitative examination of non-spectator processes in charm decays helping to elucidate the role of effects such as color coherence, final state interactions and the importance of the so called weak annihilation process. For D {yields} K{pi}, we find that the non-spectator weak annihilation diagram is not small, and we interpret this as evidence for large final state interactions. Moreover, there is indications of a resonance in the isospin {1/2} channel to which the weak annihilation process contributes exclusively. Findings from the lattice calculation are compared to results from the continuum vacuum saturation approximation and amplitudes are examined within the framework of the 1/N expansion. Factorization and the vacuum saturation approximation are tested for lattice amplitudes by comparing amplitudes extracted from lattice four-point functions with the same amplitude extracted from products of two-point and three-point lattice correlation functions arising out of factorization and vacuum saturation.

  9. Equation of State from Lattice QCD Calculations (Conference)...

    Office of Scientific and Technical Information (OSTI)

    Conference: Equation of State from Lattice QCD Calculations Citation Details In-Document Search Title: Equation of State from Lattice QCD Calculations You are accessing a...

  10. Calculating impacts of energy standards on energy demand in U...

    Office of Scientific and Technical Information (OSTI)

    Calculating impacts of energy standards on energy demand in U.S. buildings with uncertainty in an integrated assessment model Citation Details In-Document Search Title: Calculating ...

  11. Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Ab Initio Calculations Of Nuclear Reactions And Exotic Nuclei Citation Details In-Document Search Title: Ab Initio Calculations Of Nuclear Reactions And Exotic ...

  12. Non-equilibrium chemical partitioning calculation for phase transforma...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and time dependent phase selection. The calculation programs were developed in C++ and fortran. In this program, we will integrate the existing calculation programs. Research area:...

  13. Energy and Cost Savings Calculators for Energy-Efficient Products...

    Open Energy Info (EERE)

    Energy and Cost Savings Calculators for Energy-Efficient Products Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Energy and Cost Savings Calculators for...

  14. Building America Webinar: HVAC Right-Sizing Part 1-Calculating...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    the key criteria required to create accurate heating and cooling load calculations. ... HVAC Right-Sizing Part 1: Calculating Loads ZERH Webinar: Low Load HVAC in Zero Energy ...

  15. Toward Catalyst Design from Theoretical Calculations (464th Brookhaven...

    Office of Scientific and Technical Information (OSTI)

    Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Citation Details In-Document Search Title: Toward Catalyst Design from Theoretical Calculations...

  16. Calculation of nuclear reaction cross sections on excited nuclei...

    Office of Scientific and Technical Information (OSTI)

    Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method Citation Details In-Document Search Title: Calculation of nuclear reaction cross ...

  17. Energy Star Building Upgrade Value Calculator | Open Energy Informatio...

    Open Energy Info (EERE)

    Upgrade Value Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Energy Star Building Upgrade Value Calculator (for Office Properties) AgencyCompany...

  18. EPA Rainfall Erosivity Factor Calculator Website | Open Energy...

    Open Energy Info (EERE)

    Calculator Website Jump to: navigation, search OpenEI Reference LibraryAdd to library Web Site: EPA Rainfall Erosivity Factor Calculator Website Abstract This website allows...

  19. Divya Energy Solar Panel Savings Calculator | Open Energy Information

    Open Energy Info (EERE)

    Divya Energy Solar Panel Savings Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Divya Energy Solar Panel Savings Calculator AgencyCompany Organization:...

  20. Fragment Yields Calculated in a Time-Dependent Microscopic Theory...

    Office of Scientific and Technical Information (OSTI)

    Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Citation Details In-Document Search Title: Fragment Yields Calculated in a Time-Dependent Microscopic ...

  1. Natural Gas Vehicle Cost Calculator | Open Energy Information

    Open Energy Info (EERE)

    Vehicle Cost Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Natural Gas Vehicle Cost Calculator AgencyCompany Organization: United States Department of...

  2. Water-saving Measures: Energy and Cost Savings Calculator | Open...

    Open Energy Info (EERE)

    and Cost Savings Calculator Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Water-saving Measures: Energy and Cost Savings Calculator AgencyCompany Organization:...

  3. New Arsenic Cross Section Calculations (Technical Report) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    New Arsenic Cross Section Calculations Citation Details In-Document Search Title: New Arsenic Cross Section Calculations You are accessing a document from the Department of ...

  4. Calculated fission-fragment yield systematics in the region 74

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Möller, Peter; Randrup, Jørgen

    2015-04-01

    Background: In the seminal experiment by Schmidt et al. [Nucl. Phys. A 665, 221 (2000)] in which fission-fragment charge distributions were obtained for 70 nuclides, asymmetric distributions were seen above nucleon number A ≈ 226 and symmetric ones below. Because asymmetric fission had often loosely been explained as a preference for the nucleus to always exploit the extra binding of fragments near ¹³²Sn it was assumed that all systems below A ≈ 226 would fission symmetrically because available isotopes do not have a proton-to-neutron Z/N ratio that allows division into fragments near ¹³²Sn. But the finding by Andreyev et al.more »[Phys. Rev. Lett. 105, 252502 (2010)] did not conform to this expectation because the compound system ¹⁸⁰Hg was shown to fission asymmetrically. It was suggested that this was a new type of asymmetric fission, because no strong shell effects occur for any possible fragment division. Purpose: We calculate a reference database for fission-fragment mass yields for a large region of the nuclear chart comprising 987 nuclides. A particular aim is to establish whether ¹⁸⁰Hg is part of a contiguous region of asymmetric fission, and if so, its extent, or if not, in contrast to the actinides, there are scattered smaller groups of nuclei that fission asymmetrically in this area of the nuclear chart. Methods: We use the by now well benchmarked Brownian shape-motion method and perform random walks on the previously calculated five-dimensional potential-energy surfaces. The calculated shell corrections are damped out with energy according to a prescription developed earlier. Results: We have obtained a theoretical reference database of fission-fragment mass yields for 987 nuclides. These results show an extended region of asymmetric fission with approximate extension 74 ≤ Z ≤ 85 and 100 ≤ N ≤ 120. The calculated yields are highly variable. We show 20 representative plots of these variable features and summarize the main aspects of our results in terms of “nuclear-chart” plots showing calculated degrees of asymmetry versus N and Z. Conclusions: Experimental data in this region are rare: only ten or so yield distributions have been measured, some with very limited statistics. We agree with several measurements with higher statistics. Regions where there might be differences between our calculated results and measurements lie near the calculated transition line between symmetric and asymmetric fission. To draw more definite conclusions about the accuracy of the present implementation of the Brownian shape-motion approach in this region experimental data, with reliable statistics, for a fair number of suitably located additional nuclides are clearly needed. Because the nuclear potential-energy structure is so different in this region compared to the actinide region, additional experimental data together with fission theory studies that incorporate additional, dynamical aspects should provide much new insight.« less

  5. Calculation of cross sections for binary reactions between heavy ion projectiles and heavy actinide targets

    SciTech Connect (OSTI)

    Hoffman, D.C.; Hoffman, M.M.

    1990-11-01

    The computer program, described in this report, is identified as PWAVED5. It was developed to calculate cross sections for nucleon transfer reactions in low energy heavy ion bombardments. The objective was to calculate cross sections that agree with experimental results for ions of different charge and mass and to develop a predictive capability. It was undertaken because previous heavy ion calculations, for which programs were readily available, appeared to focus primarily on reactions resulting in compound nucleus formation and were not particularly applicable to calculations of binary reaction cross sections at low interaction energies. There are to principal areas in which this computation differs from several other partial wave calculations of heavy-ion reaction cross sections. First, this program is designed specifically to calculate cross sections for nucleon exchange interactions and to exclude interactions that are expected to result in fusion of the two nuclei. A second major difference in this calculation is the use of a statistical distribution to assign the total interaction cross section to individual final mass states.

  6. FUEL HANDLING FACILITY CRITICALITY SAFETY CALCULATIONS

    SciTech Connect (OSTI)

    C.E. Sanders

    2005-06-30

    The purpose of this design calculation is to perform a criticality evaluation of the Fuel Handling Facility (FHF) and the operations and processes performed therein. The current intent of the FHF is to receive transportation casks whose contents will be unloaded and transferred to waste packages (WP) or MGR Specific Casks (MSC) in the fuel transfer bays. Further, the WPs will also be prepared in the FHF for transfer to the sub-surface facility (for disposal). The MSCs will be transferred to the Aging Facility for storage. The criticality evaluation of the FHF features the following: (I) Consider the types of waste to be received in the FHF as specified below: (1) Uncanistered commercial spent nuclear fuel (CSNF); (2) Canistered CSNF (with the exception of horizontal dual-purpose canister (DPC) and/or multi-purpose canisters (MPCs)); (3) Navy canistered SNF (long and short); (4) Department of Energy (DOE) canistered high-level waste (HLW); and (5) DOE canistered SNF (with the exception of MCOs). (II) Evaluate the criticality analyses previously performed for the existing Nuclear Regulatory Commission (NRC)-certified transportation casks (under 10 CFR 71) to be received in the FHF to ensure that these analyses address all FHF conditions including normal operations, and Category 1 and 2 event sequences. (III) Evaluate FHF criticality conditions resulting from various Category 1 and 2 event sequences. Note that there are currently no Category 1 and 2 event sequences identified for FHF. Consequently, potential hazards from a criticality point of view will be considered as identified in the ''Internal Hazards Analysis for License Application'' document (BSC 2004c, Section 6.6.4). (IV) Assess effects of potential moderator intrusion into the fuel transfer bay for defense in depth. The SNF/HLW waste transfer activity (i.e., assembly and canister transfer) that is being carried out in the FHF has been classified as safety category in the ''Q-list'' (BSC 2003, p. A-6). Therefore, this design calculation is subject to the requirements of the ''Quality Assurance Requirements and Description'' (DOE 2004), even though the FHF itself has not yet been classified in the Q-list. Performance of the work scope as described and development of the associated technical product conform to the procedure AP-3.124, ''Design Calculations and Analyses''.

  7. A primer for criticality calculations with DANTSYS

    SciTech Connect (OSTI)

    Busch, R.D.

    1997-08-01

    With the closure of many experimental facilities, the nuclear safety analyst has to rely on computer calculations to identify safe limits for the handling and storage of fissile materials. Although deterministic methods often do not provide exact models of a system, a substantial amount of reliable information on nuclear systems can be obtained using these methods if the user understands their limitations. To guide criticality specialists in this area, the Nuclear Criticality Safety Group at the University of New Mexico (UNM) in cooperation with the Radiation Transport Group at Los Alamos National Laboratory (LANL) has designed a primer to help the analyst understand and use the DANTSYS deterministic transport code for nuclear criticality safety analyses. DANTSYS is the new name of the group of codes formerly known as: ONEDANT, TWODANT, TWOHEX, TWOGQ, and THREEDANT. The primer is designed to teach bu example, with each example illustrating two or three DANTSYS features useful in criticality analyses. Starting with a Quickstart chapter, the primer gives an overview of the basic requirements for DANTSYS input and allows the user to quickly run a simple criticality problem with DANTSYS. Each chapter has a list of basic objectives at the beginning identifying the goal of the chapter and the individual DANTSYS features covered in detail in the chapter example problems. On completion of the primer, it is expected that the user will be comfortable doing criticality calculations with DANTSYS and can handle 60--80% of the situations that normally arise in a facility. The primary provides a set of input files that can be selective modified by the user to fit each particular problem.

  8. Using Laguerre polynomials to compute the matrix exponential in burnup calculations

    SciTech Connect (OSTI)

    She, D.; Zhu, A.; Wang, K.

    2012-07-01

    An essential part of burnup analysis is to solve the burnup equations. The burnup equations can be regarded as a first-order linear system and solved by means of matrix exponential methods. Because of its large spectrum, it is difficult to compute the exponential of the burnup matrix. Conventional methods of computing the matrix exponential, such as the truncated Taylor expansion and the Pade approximation, are not applicable to burnup calculations. Recently the Chebyshev Rational Approximation Method (CRAM) has been applied to solve burnup matrix exponential and shown to be robust and accurate. However, the main defect of CRAM is that its coefficients are not easy to obtain. In this paper, an orthogonal polynomial expansion method, called Laguerre Polynomial Approximation Method (LPAM), is proposed to compute the matrix exponential in burnup calculations. The polynomial sequence of LPAM can be easily computed in any order and thus LPAM is quite convenient to be utilized into burnup codes. Two typical test cases with the decay and cross-section data taken from the standard ORIGEN 2.1 libraries are calculated for validation, against the reference results provided by CRAM of 14 order. Numerical results show that, LPAM is sufficiently accurate for burnup calculations. The influences of the parameters on the convergence of LPAM are also discussed. (authors)

  9. Webtrends Archives by Fiscal Year - Calculators | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Calculators Webtrends Archives by Fiscal Year - Calculators From the EERE Web Statistics Archive: Corporate sites, Webtrends archive for the Calculators site for fiscal year 2011. Microsoft Office document icon Calculators FY11 More Documents & Publications Webtrends Archives by Fiscal Year - Office of EERE Webtrends Archives by Fiscal Year - Information Center Webtrends Archives by Fiscal Year - Kids Site

  10. SU-E-T-510: Mathematical Analysis of Approximate Biological Effective Dose (BED) Calculation for Multi-Phase Radiotherapy Treatment Plans

    SciTech Connect (OSTI)

    Kauweloa, K; Gutierrez, A; Bergamo, A; Stathakis, S; Papanikolaou, N; Mavroidis, P

    2014-06-01

    Purpose: There is growing interest about biological effective dose (BED) and its application in treatment plan evaluation due to its stronger correlation with treatment outcome. An approximate biological effective dose (BEDA) equation was introduced to simplify BED calculations by treatment planning systems in multi-phase treatments. The purpose of this work is to reveal its mathematical properties relative to the true, multi-phase BED (BEDT) equation. Methods: The BEDT equation was derived and used to reveal the mathematical properties of BEDA. MATLAB (MathWorks, Natick, MA) was used to simulate and analyze common and extreme clinical multi-phase cases. In those cases, percent error (Perror) and Bland-Altman analysis were used to study the significance of the inaccuracies of BEDA for different combinations of total doses, numbers of fractions, doses per fractions and ? over ? values. All the calculations were performed on a voxel-basis in order to study how dose distributions would affect the accuracy of BEDA. Results: When the voxel dose-per-fractions (DPF) delivered by both phases are equal, BEDA and BEDT are equal. In heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the imprecision of BEDA is greater. It was shown that as the ? over ? ratio increased the accuracy of BEDA would improve. Examining twenty-four cases, it was shown that the range of DPF ratios for a 3 Perror varied from 0.32 to 7.50Gy, whereas for Perror of 1 the range varied from 0.50 to 2.96Gy. Conclusion: The DPF between the different phases should be equal in order to render BEDA accurate. OARs typically receive heterogeneous dose distributions hence the probability of equal DPFs is low. Consequently, the BEDA equation should only be used for targets or OARs that receive uniform or very similar dose distributions by the different treatment phases.

  11. Subject: Calculation of Job Creating Through Recovery Act Funding |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Subject: Calculation of Job Creating Through Recovery Act Funding Subject: Calculation of Job Creating Through Recovery Act Funding PDF icon Subject: Calculation of Job Creating Through Recovery Act Funding More Documents & Publications WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding - Updated Calculation of Job Creation Through DOE Recovery Act Funding WPN 10-14: Calculat

  12. Numeric spectral radiation hydrodynamic calculations of supernova shock breakouts

    SciTech Connect (OSTI)

    Sapir, Nir; Halbertal, Dorri

    2014-12-01

    We present here an efficient numerical scheme for solving the non-relativistic one-dimensional radiation-hydrodynamics equations including inelastic Compton scattering, which is not included in most codes and is crucial for solving problems such as shock breakout. The devised code is applied to the problems of a steady-state planar radiation mediated shock (RMS) and RMS breakout from a stellar envelope. The results are in agreement with those of a previous work on shock breakout, in which Compton equilibrium between matter and radiation was assumed and the 'effective photon' approximation was used to describe the radiation spectrum. In particular, we show that the luminosity and its temporal dependence, the peak temperature at breakout, and the universal shape of the spectral fluence derived in this earlier work are all accurate. Although there is a discrepancy between the spectral calculations and the effective photon approximation due to the inaccuracy of the effective photon approximation estimate of the effective photon production rate, which grows with lower densities and higher velocities, the difference in peak temperature reaches only 30% for the most discrepant cases of fast shocks in blue supergiants. The presented model is exemplified by calculations for supernova 1987A, showing the detailed evolution of the burst spectrum. The incompatibility of the stellar envelope shock breakout model results with observed properties of X-ray flashes (XRFs) and the discrepancy between the predicted and observed rates of XRFs remain unexplained.

  13. SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Perfetti, Christopher M.; Rearden, Bradley T.; Martin, William R.

    2016-02-25

    Sensitivity coefficients describe the fractional change in a system response that is induced by changes to system parameters and nuclear data. The Tools for Sensitivity and UNcertainty Analysis Methodology Implementation (TSUNAMI) code within the SCALE code system makes use of eigenvalue sensitivity coefficients for an extensive number of criticality safety applications, including quantifying the data-induced uncertainty in the eigenvalue of critical systems, assessing the neutronic similarity between different critical systems, and guiding nuclear data adjustment studies. The need to model geometrically complex systems with improved fidelity and the desire to extend TSUNAMI analysis to advanced applications has motivated the developmentmore » of a methodology for calculating sensitivity coefficients in continuous-energy (CE) Monte Carlo applications. The Contributon-Linked eigenvalue sensitivity/Uncertainty estimation via Tracklength importance CHaracterization (CLUTCH) and Iterated Fission Probability (IFP) eigenvalue sensitivity methods were recently implemented in the CE-KENO framework of the SCALE code system to enable TSUNAMI-3D to perform eigenvalue sensitivity calculations using continuous-energy Monte Carlo methods. This work provides a detailed description of the theory behind the CLUTCH method and describes in detail its implementation. This work explores the improvements in eigenvalue sensitivity coefficient accuracy that can be gained through the use of continuous-energy sensitivity methods and also compares several sensitivity methods in terms of computational efficiency and memory requirements.« less

  14. WHAM: Simplified tool for calculating water heater energy use

    SciTech Connect (OSTI)

    Lutz, J.D.; Whitehead, C.D.; Lekov, A.B.; Rosenquist, G.J.; Winiarski, D.W.

    1999-07-01

    Water heating comprises a significant portion of residential energy consumption--17% in the US, according to the residential energy consumption survey (RECS) (EIA 1995). For such a significant energy end use, energy analysts need a method to quickly and reliably assess current and future energy requirements for a variety of conservation policies and programs. To fill this need, the water heater analysis model (WHAM) was developed as a simple energy equation that accounts for different operating conditions and water heater characteristics when calculating energy consumption. The results of WHAM are compared to the results of detailed water heater simulation programs and show a high level of accuracy in estimating energy consumption. WHAM energy calculations are based on assumptions that account for a variety of field conditions and water heater types. By including seven parameters--recovery efficiency (RE), standby heat loss coefficient (UA), rated input power (Pon), average daily hot water draw volume, inlet water temperature, thermostat setting, and air temperature around the water heater--WHAM provides an accurate estimate of energy consumption in the majority of cases.

  15. Variational perturbation theory and nonperturbative calculations in QCD

    SciTech Connect (OSTI)

    Solovtsova, O. P.

    2013-10-15

    A nonperturbative approach based on the variational perturbation theory in quantum chromodynamics is developed. The variational series is different from the conventional perturbative expansion and can be used to go beyond the weak-coupling regime. The approach suggested takes into account the summation of threshold singularities and the involvement of nonperturbative light quark masses. Phenomenological applications of this approach to describe physical quantities connected with the hadronic {tau}-decay data: the R{sub {tau}} ratio, the light-quark Adler function, and the smeared R{sub {Delta}} function are presented. The description of examined quantities includes an infrared region and, therefore, they cannot be directly calculated within the standard perturbation theory. It is shown that in spite of this fact the approach suggested gives a rather good result for these quantities down to the lowest energy scale.

  16. MELCOR calculations for a low-pressure short-term station blackout in a BWR-6

    SciTech Connect (OSTI)

    Carbajo, J.J. [Martin Marietta Energy Systems, Oak Ridge, TN (United States)

    1995-12-31

    A postulated, low-pressure, short term station blackout severe accident has been analyzed using the MELCOR code for the Grand Gulf nuclear power plant. Different versions have been used with three different models of the plant. This paper presents results of the effects of different plant models and versions of MELCOR on the calculated results and to present the best-estimating timing of events for this transient.

  17. Handbook of Industrial Engineering Equations, Formulas, and Calculations

    SciTech Connect (OSTI)

    Badiru, Adedeji B; Omitaomu, Olufemi A

    2011-01-01

    The first handbook to focus exclusively on industrial engineering calculations with a correlation to applications, Handbook of Industrial Engineering Equations, Formulas, and Calculations contains a general collection of the mathematical equations often used in the practice of industrial engineering. Many books cover individual areas of engineering and some cover all areas, but none covers industrial engineering specifically, nor do they highlight topics such as project management, materials, and systems engineering from an integrated viewpoint. Written by acclaimed researchers and authors, this concise reference marries theory and practice, making it a versatile and flexible resource. Succinctly formatted for functionality, the book presents: Basic Math Calculations; Engineering Math Calculations; Production Engineering Calculations; Engineering Economics Calculations; Ergonomics Calculations; Facility Layout Calculations; Production Sequencing and Scheduling Calculations; Systems Engineering Calculations; Data Engineering Calculations; Project Engineering Calculations; and Simulation and Statistical Equations. It has been said that engineers make things while industrial engineers make things better. To make something better requires an understanding of its basic characteristics and the underlying equations and calculations that facilitate that understanding. To do this, however, you do not have to be computational experts; you just have to know where to get the computational resources that are needed. This book elucidates the underlying equations that facilitate the understanding required to improve design processes, continuously improving the answer to the age-old question: What is the best way to do a job?

  18. Accurate potential energy curve of the LiH{sup +} molecule calculated with explicitly correlated Gaussian functions

    SciTech Connect (OSTI)

    Tung, Wei-Cheng; Adamowicz, Ludwik

    2014-03-28

    Very accurate calculations of the ground-state potential energy curve (PEC) of the LiH{sup +} ion performed with all-electron explicitly correlated Gaussian functions with shifted centers are presented. The variational method is employed. The calculations involve optimization of nonlinear exponential parameters of the Gaussians performed with the aid of the analytical first derivatives of the energy determined with respect to the parameters. The diagonal adiabatic correction is also calculated for each PEC point. The PEC is then used to calculate the vibrational energies of the system. In that calculation, the non-adiabatic effects are accounted for by using an effective vibrational mass obtained by the minimization of the difference between the vibrational energies obtained from the calculations where the Born-Oppenheimer approximation was not assumed and the results of the present calculations.

  19. Energy Use Savings for a Typical New Residential Dwelling Unit Based on the 2009 and 2012 IECC as Compared to the 2006 IECC

    SciTech Connect (OSTI)

    Lucas, Robert G.; Mendon, Vrushali V.; Goel, Supriya

    2012-06-01

    The 2009 and 2012 International Energy Conservation Codes (IECC) require a substantial improvement in energy efficiency compared to the 2006 IECC. This report averages the energy use savings for a typical new residential dwelling unit based on the 2009 and 2012 IECC compared to the 2006 IECC. Results are reported by the eight climate zones in the IECC and for the national average.

  20. XOP : a graphical user interface for spectral calculations and...

    Office of Scientific and Technical Information (OSTI)

    spectral calculations and x-ray optics utilities. Citation Details In-Document Search Title: XOP : a graphical user interface for spectral calculations and x-ray optics utilities. ...

  1. First-principles calculations of phonons and Raman spectra in...

    Office of Scientific and Technical Information (OSTI)

    First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Title: First-principles calculations of phonons and Raman spectra in monoclinic CsSnCl 3 Authors: ...

  2. Supporting Calculations For Submerged Bed Scrubber Condensate Disposal Preconceptual Study

    SciTech Connect (OSTI)

    Pajunen, A. J.; Tedeschi, A. R.

    2012-09-18

    This document provides supporting calculations for the preparation of the Submerged Bed Scrubber Condensate Disposal Preconceptual Study report The supporting calculations include equipment sizing, Hazard Category determination, and LAW Melter Decontamination Factor Adjustments.

  3. Ice - an explicit wavelet calculation code for ICE experiments...

    Office of Scientific and Technical Information (OSTI)

    Language: English Subject: 97 MATHEMATICS AND COMPUTING; 99 GENERAL AND MISCELLANEOUSMATHEMATICS, COMPUTING, AND INFORMATION SCIENCE; COMPUTER CALCULATIONS; SHOCK WAVES; ...

  4. Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    Methodology Assumptions and Methodology to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Assumptions and Methodology on Delicious Rank Alternative

  5. Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions

    Alternative Fuels and Advanced Vehicles Data Center [Office of Energy Efficiency and Renewable Energy (EERE)]

    and Methodology Widget Assumptions and Methodology to someone by E-mail Share Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Facebook Tweet about Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Twitter Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and Methodology on Google Bookmark Alternative Fuels Data Center: Vehicle Cost Calculator Widget Assumptions and

  6. Measurement and Verification Plan and Savings Calculations Methods Outline

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    (IDIQ Attachment J-8) | Department of Energy Measurement and Verification Plan and Savings Calculations Methods Outline (IDIQ Attachment J-8) Measurement and Verification Plan and Savings Calculations Methods Outline (IDIQ Attachment J-8) Document outlines measurement and verification planning and savings calculation methods for an energy savings performance contract. Microsoft Office document icon Download the M&V Plan and Savings Calculations Methods Outline. More Documents &

  7. Calculating and Communicating Program Results | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Calculating and Communicating Program Results Calculating and Communicating Program Results Better Buildings Neighborhood Program Data and Evaluation Peer Exchange Call: Calculating and Communicating Program Results, Call Slides and Summary, February 23, 2012. PDF icon Call Slides and Summary More Documents & Publications Evaluation Tools Utilized by the EnergySmart Program The Better Buildings Neighborhood View - October 2012 Business of Energy Efficiency Workshop presentation

  8. Application of DYNA3D in large scale crashworthiness calculations

    SciTech Connect (OSTI)

    Benson, D.J.; Hallquist, J.O.; Igarashi, M.; Shimomaki, K.; Mizuno, M.

    1986-01-01

    This paper presents an example of an automobile crashworthiness calculation. Based on our experiences with the example calculation, we make recommendations to those interested in performing crashworthiness calculations. The example presented in this paper was supplied by Suzuki Motor Co., Ltd., and provided a significant shakedown for the new large deformation shell capability of the DYNA3D code. 15 refs., 3 figs.

  9. First Principles Calculations and NMR Spectroscopy of Electrode Materials |

    Broader source: Energy.gov (indexed) [DOE]

    Department of Energy 7_grey.pdf More Documents & Publications First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials

  10. BENCHMARKING UPGRADED HOTSPOT DOSE CALCULATIONS AGAINST MACCS2 RESULTS

    SciTech Connect (OSTI)

    Brotherton, Kevin

    2009-04-30

    The radiological consequence of interest for a documented safety analysis (DSA) is the centerline Total Effective Dose Equivalent (TEDE) incurred by the Maximally Exposed Offsite Individual (MOI) evaluated at the 95th percentile consequence level. An upgraded version of HotSpot (Version 2.07) has been developed with the capabilities to read site meteorological data and perform the necessary statistical calculations to determine the 95th percentile consequence result. These capabilities should allow HotSpot to join MACCS2 (Version 1.13.1) and GENII (Version 1.485) as radiological consequence toolbox codes in the Department of Energy (DOE) Safety Software Central Registry. Using the same meteorological data file, scenarios involving a one curie release of {sup 239}Pu were modeled in both HotSpot and MACCS2. Several sets of release conditions were modeled, and the results compared. In each case, input parameter specifications for each code were chosen to match one another as much as the codes would allow. The results from the two codes are in excellent agreement. Slight differences observed in results are explained by algorithm differences.

  11. CRC handbook of nuclear reactors calculations. Vol. III

    SciTech Connect (OSTI)

    Ronen, Y.

    1986-01-01

    This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume III: Control Rods and Burnable Absorber Calculations. Perturbation Theory for Nuclear Reactor Analysis. Thermal Reactors Calculations. Fast Reactor Calculations. Seed-Blanket Reactors. Index.

  12. An Evaluation of the Environmental Impact of Different Commercial Supermarket Refrigeration Systems Using Low Global Warming Potential Refrigerants

    SciTech Connect (OSTI)

    Beshr, Mohamed; Aute, Vikrant; Abdelaziz, Omar; Fricke, Brian A; Radermacher, Reinhard

    2014-01-01

    Commercial refrigeration systems consumed 1.21 Quads of primary energy in 2010 and are known to be a major source for refrigerant charge leakage into the environment. Thus, it is important to study the environmental impact of commercial supermarket refrigeration systems and improve their design to minimize any adverse impacts. The system s Life Cycle Climate Performance (LCCP) was presented as a comprehensive metric with the aim of calculating the equivalent mass of carbon dioxide released into the atmosphere throughout its lifetime, from construction to operation and destruction. In this paper, an open source tool for the evaluation of the LCCP of different air-conditioning and refrigeration systems is presented and used to compare the environmental impact of a typical multiplex direct expansion (DX) supermarket refrigeration systems based on three different refrigerants as follows: two hydrofluorocarbon (HFC) refrigerants (R-404A, and R-407F), and a low global warming potential (GWP) refrigerant (N-40). The comparison is performed in 8 US cities representing different climates. The hourly energy consumption of the refrigeration system, required for the calculation of the indirect emissions, is calculated using a widely used building energy modeling tool (EnergyPlus). A sensitivity analysis is performed to determine the impact of system charge and power plant emission factor on the LCCP results. Finally, we performed an uncertainty analysis to determine the uncertainty in total emissions for both R-404A and N-40 operated systems. We found that using low GWP refrigerants causes a considerable drop in the impact of uncertainty in the inputs related to direct emissions on the uncertainty of the total emissions of the system.

  13. Calculation of K-shell fluorescence yields for low-Z elements

    SciTech Connect (OSTI)

    Nekkab, M.; Kahoul, A.; Deghfel, B.; Aylikci, N. Kp; Ayliki, V.

    2015-03-30

    The analytical methods based on X-ray fluorescence are advantageous for practical applications in a variety of fields including atomic physics, X-ray fluorescence surface chemical analysis and medical research and so the accurate fluorescence yields (?{sub K}) are required for these applications. In this contribution we report a new parameters for calculation of K-shell fluorescence yields (?{sub K}) of elements in the range of 11?Z?30. The experimental data are interpolated by using the famous analytical function (?{sub k}/(1??{sub k})){sup 1/q} (were q=3, 3.5 and 4) vs Z to deduce the empirical K-shell fluorescence yields. A comparison is made between the results of the procedures followed here and those theoretical and other semi-empirical fluorescence yield values. Reasonable agreement was typically obtained between our result and other works.

  14. Helium release rates and ODH calculations from RHIC magnet cooling line failure

    SciTech Connect (OSTI)

    Liaw, C.J.; Than, Y.; Tuozzolo, J.

    2011-03-28

    A catastrophic failure of the magnet cooling lines, similar to the LHC superconducting bus failure incident, could discharge cold helium into the RHIC tunnel and cause an Oxygen Deficiency Hazard (ODH) problem. A SINDA/FLUINT{reg_sign} model, which simulated the 4.5K/4 atm helium flowing through the magnet cooling system distribution lines, then through a line break into the insulating vacuum volumes and discharging via the reliefs into the RHIC tunnel, had been developed. Arc flash energy deposition and heat load from the ambient temperature cryostat surfaces are included in the simulations. Three typical areas: the sextant arc, the Triplet/DX/D0 magnets, and the injection area, had been analyzed. Results, including helium discharge rates, helium inventory loss, and the resulting oxygen concentration in the RHIC tunnel area, are reported. Good agreement had been achieved when comparing the simulation results, a RHIC sector depressurization test measurement, and some simple analytical calculations.

  15. Individual Differences in Human Reliability Analysis

    SciTech Connect (OSTI)

    Jeffrey C. Joe; Ronald L. Boring

    2014-06-01

    While human reliability analysis (HRA) methods include uncertainty in quantification, the nominal model of human error in HRA typically assumes that operator performance does not vary significantly when they are given the same initiating event, indicators, procedures, and training, and that any differences in operator performance are simply aleatory (i.e., random). While this assumption generally holds true when performing routine actions, variability in operator response has been observed in multiple studies, especially in complex situations that go beyond training and procedures. As such, complexity can lead to differences in operator performance (e.g., operator understanding and decision-making). Furthermore, psychological research has shown that there are a number of known antecedents (i.e., attributable causes) that consistently contribute to observable and systematically measurable (i.e., not random) differences in behavior. This paper reviews examples of individual differences taken from operational experience and the psychological literature. The impact of these differences in human behavior and their implications for HRA are then discussed. We propose that individual differences should not be treated as aleatory, but rather as epistemic. Ultimately, by understanding the sources of individual differences, it is possible to remove some epistemic uncertainty from analyses.

  16. NERSC Calculations Provide Independent Confirmation of Global Land Warming

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Since 1901 Calculations Provide Independent Confirmation of Global Land Warming Since 1901 NERSC Calculations Provide Independent Confirmation of Global Land Warming Since 1901 September 9, 2013 Contact: Jon Bashor, jbashor@lbl.gov, 510-486-5849 campo.jpg These maps show the changes in air temperatures over land as measured using thermometers (left side) and as calculated by the 20th Century Reanalysis project (left side). While more than 80 percent of the observed variation is captured by

  17. Energy and Cost Savings Calculators for Energy-Efficient Products |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Efficient Products » Energy and Cost Savings Calculators for Energy-Efficient Products Energy and Cost Savings Calculators for Energy-Efficient Products Estimate energy and cost savings for energy- and water-efficient product categories using these interactive calculators provided by the Federal Energy Management Program or ENERGY STAR. Commercial Heating and Cooling Air-Cooled Chillers Boilers Commercial Heat Pumps Commercial Rooftop Air Conditioners Residential

  18. Spin resonance strength calculation through single particle tracking for RHIC

    SciTech Connect (OSTI)

    Luo, Y.; Dutheil, Y.; Huang, H.; Meot, F.; Ranjbar, V.

    2015-05-03

    The strengths of spin resonances for the polarized-proton operation in the Relativistic Heavy Ion Collider are currently calculated with the code DEPOL, which numerically integrates through the ring based on an analytical approximate formula. In this article, we test a new way to calculate the spin resonance strengths by performing Fourier transformation to the actual transverse magnetic fields seen by a single particle traveling through the ring. Comparison of calculated spin resonance strengths is made between this method and DEPOL.

  19. CALCULATION OF STOPPING POWER VALUES AND RANGES OF FAST IONS.

    Energy Science and Technology Software Center (OSTI)

    2003-03-18

    STOPOW calculates a set of stopping power values and ranges of fast ions in matter for any materials. Furthermore STOPOW can calculate a set of values for one special auxiliary function (e.g. kinematic factors, track structure parameters, time of flight or correction factors in the stopping function) . The user chooses the physical units for stopping powers and ranges and the energy range for calculations.

  20. Energy Cost Calculator for Urinals | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Urinals Energy Cost Calculator for Urinals Vary water cost, frequency of operation, and /or efficiency level. INPUT SECTION This calculator assumes that early replacement of a urinal or toilet will take place with 10 years of life remaining for existing fixture. Input the following data (if any parameter is missing, calculator will set to default value). Defaults Water Saving Product Urinal Urinal Gallons per Flush gpf 1.0 gpf Quantity to be Purchased 1 Water Cost (including waste water charges)

  1. Energy Cost Savings Calculator for Air-Cooled Electric Chillers |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Air-Cooled Electric Chillers Energy Cost Savings Calculator for Air-Cooled Electric Chillers This cost calculator is a screening tool that estimates a product's lifetime energy cost savings at various efficiency levels. Learn more about the calculator assumptions and definitions. Project Type Is this a new installation or a replacement? New Replacement How many chillers will you purchase? Performance Factors Existing What is the existing design condition? Full Load

  2. Measurements and model calculations of radiative fluxes for the...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Measurements and model calculations of radiative fluxes for the Cabauw Experimental Site for Atmospheric Research, the Netherlands Knap, Wouter Royal Netherlands Meteorological...

  3. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference...

    Office of Scientific and Technical Information (OSTI)

    Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search ... Visit OSTI to utilize additional information resources in energy science and technology. A ...

  4. Leading-order calculation of electric conductivity in hot quantum...

    Office of Scientific and Technical Information (OSTI)

    Subject: 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ACTION INTEGRAL; CALCULATION METHODS; ELECTRIC CONDUCTIVITY; FEYNMAN DIAGRAM; GAUGE INVARIANCE; INTEGRAL EQUATIONS; QUANTUM ...

  5. Calculations Of Damage To Rotating Targets Under Intense Beams...

    Office of Scientific and Technical Information (OSTI)

    Beams For Super-Heavy Element Production Citation Details In-Document Search Title: Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element ...

  6. A general higher-order remap algorithm for ALE calculations ...

    Office of Scientific and Technical Information (OSTI)

    The locations of the shock and contact discontinuity in the Riemann shock tube problem are well captured. Cercion demonstrates a high degree of symmetry when calculating the Sedov ...

  7. A Perturbation Approach to Calculating the Behavior of Hulti...

    Office of Scientific and Technical Information (OSTI)

    A Perturbation Approach to Calculating the Behavior of Hulti-cell Radiofrequeocy Accelerating Strectures Citation Details In-Document Search Title: A Perturbation Approach to...

  8. Magnetic Field Line Tracing Calculations for Conceptual PFC Design...

    Office of Scientific and Technical Information (OSTI)

    PFC Design in the National Compact Stellarator Experiment Citation Details In-Document Search Title: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the ...

  9. Microscopic Calculation of Fission Fragment Energies for the...

    Office of Scientific and Technical Information (OSTI)

    these calculations also highlight the importance of local constraints on the fragments ... DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence ...

  10. EPA Climate Leaders Simplified GHG Emissions Calculator (SGEC...

    Open Energy Info (EERE)

    Simplified GHG Emissions Calculator (SGEC) AgencyCompany Organization: United States Environmental Protection Agency Sector: Energy, Climate Focus Area: Industry, Greenhouse...

  11. Combined local-density and dynamical mean field theory calculations...

    Office of Scientific and Technical Information (OSTI)

    field theory calculations for the compressed lanthanides Ce, Pr, and Nd Citation Details In-Document Search Title: Combined local-density and dynamical mean field theory ...

  12. Energy savings estimates and cost benefit calculations for high...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Energy savings estimates and cost benefit calculations for high performance relocatable classrooms Citation Details In-Document Search Title: Energy savings ...

  13. Magnetic Field Line Tracing Calculations for Conceptual PFC Design...

    Office of Scientific and Technical Information (OSTI)

    enabling the investigation of high beta physics in a compact stellarator geometry. ... In this paper, we report on the magnetic field line tracing calculations used to evaluate ...

  14. Wind Energy Finance (WEF): An Online Calculator for Economic...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    interested in owning or benefiting from wind energy projects * Applicants pursuing 2002 ... The program can also calculate minimum energy contract price when the user enters minimum ...

  15. Calculations in Support of JAEA Experiments. Update Oct 2015

    SciTech Connect (OSTI)

    Goda, Joetta Marie; James, Michael R.

    2015-10-16

    An update on calculations provided in support of the Japanese Atomic Energy Agency (JAEA) experiments is summarized in PowerPoint form.

  16. FEMP Solar Hot Water Calculator | Open Energy Information

    Open Energy Info (EERE)

    Water Calculator AgencyCompany Organization: Federal Energy Management Program Sector: Energy Focus Area: Buildings Phase: Determine Baseline Topics: Baseline projection...

  17. Tool for calculation of CO2 emissions from organisations | Open...

    Open Energy Info (EERE)

    lt":0,"address":"","icon":"","group":"","inlineLabel":"","visitedicon":"" Hide Map Language: English Tool for calculation of CO2 emissions from organisations Screenshot...

  18. Measurement and Verification Plan and Savings Calculations Methods...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Document outlines measurement and verification planning and savings calculation methods for an energy savings performance contract. Microsoft Office document icon Download the M&V ...

  19. Multigroup Radiation Transport in Supernova Light Curve Calculations...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Multigroup Radiation Transport in Supernova Light Curve Calculations Citation Details In-Document Search Title: Multigroup Radiation Transport in Supernova Light ...

  20. Multigroup Radiation Transport in Supernova Light Curve Calculations...

    Office of Scientific and Technical Information (OSTI)

    Multigroup Radiation Transport in Supernova Light Curve Calculations Even, Wesley P. Los Alamos National Laboratory; Frey, Lucille H. Los Alamos National Laboratory; Fryer,...

  1. Microscopic Calculation of Fission Fragment Energies for the...

    Office of Scientific and Technical Information (OSTI)

    We calculate the total kinetic and excitation energies of fragments produced in the ... 239Pu (nsub th, f) reaction and extracted their total kinetic and excitation energies. ...

  2. EPA - Rainfall Erosivity Factor Calculator webpage | Open Energy...

    Open Energy Info (EERE)

    Not Provided DOI Not Provided Check for DOI availability: http:crossref.org Online Internet link for EPA - Rainfall Erosivity Factor Calculator webpage Citation Environmental...

  3. First Principles Calculations (and NMR Spectroscopy of Electrode...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    (and NMR Spectroscopy of Electrode Materials) First Principles Calculations (and NMR Spectroscopy of Electrode Materials) 2009 DOE Hydrogen Program and Vehicle Technologies Program ...

  4. First Principles Calculations and NMR Spectroscopy of Electrode...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle ...

  5. First Principles Calculations and NMR Spectroscopy of Electrode...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and NMR Spectroscopy of Electrode Materials First Principles Calculations and NMR Spectroscopy of Electrode Materials 2009 DOE Hydrogen Program and Vehicle Technologies Program ...

  6. Qualified Software for Calculating Commercial Building Tax Deductions

    Broader source: Energy.gov [DOE]

    On this page you'll find a list of qualified computer software for calculating commercial building energy and power cost savings that meet federal tax incentive requirements.

  7. First Principles Calculations and NMR Spectroscopy of Electrode...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Materials: NMR First Principles Calculations and NMR Spectroscopy of Electrode Materials: NMR 2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer...

  8. IGES GHG Calculator For Solid Waste | Open Energy Information

    Open Energy Info (EERE)

    Assessment to Protect the Environment (GRAPE) Electricity Markets Analysis (EMA) Model Gold Standard Program Model ... further results The GHG Calculator for Solid Waste is a...

  9. The Boltzmann equation in the difference formulation

    SciTech Connect (OSTI)

    Szoke, Abraham; Brooks III, Eugene D.

    2015-05-06

    First we recall the assumptions that are needed for the validity of the Boltzmann equation and for the validity of the compressible Euler equations. We then present the difference formulation of these equations and make a connection with the time-honored Chapman - Enskog expansion. We discuss the hydrodynamic limit and calculate the thermal conductivity of a monatomic gas, using a simplified approximation for the collision term. Our formulation is more consistent and simpler than the traditional derivation.

  10. Making a Difference

    Broader source: Energy.gov [DOE]

    EERE's work makes a difference in the lives of America's people. By lowering energy costs and supporting new ways to generate electricity, EERE is bringing a better energy future closer every day.

  11. Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bjorgaard, J. A.; Kuzmenko, V.; Velizhanin, K. A.; Tretiak, S.

    2015-01-22

    In this study, we implement and examine three excited state solvent models in time-dependent self-consistent field methods using a consistent formalism which unambiguously shows their relationship. These are the linear response, state specific, and vertical excitation solvent models. Their effects on energies calculated with the equivalent of COSMO/CIS/AM1 are given for a set of test molecules with varying excited state charge transfer character. The resulting solvent effects are explained qualitatively using a dipole approximation. It is shown that the fundamental differences between these solvent models are reflected by the character of the calculated excitations.

  12. Thermoelectric properties of AgSbTe? from first-principles calculations

    SciTech Connect (OSTI)

    Rezaei, Nafiseh; Akbarzadeh, Hadi; Hashemifar, S. Javad

    2014-09-14

    The structural, electronic, and transport properties of AgSbTe? are studied by using full-relativistic first-principles electronic structure calculation and semiclassical description of transport parameters. The results indicate that, within various exchange-correlation functionals, the cubic Fd3?m and trigonal R3?m structures of AgSbTe? are more stable than two other considered structures. The computed Seebeck coefficients at different values of the band gap and carrier concentration are accurately compared with the available experimental data to speculate a band gap of about 0.10.35 eV for AgSbTe? compound, in agreement with our calculated electronic structure within the hybrid HSE (Heyd-Scuseria-Ernzerhof) functional. By calculating the semiclassical Seebeck coefficient, electrical conductivity, and electronic part of thermal conductivity, we present the theoretical upper limit of the thermoelectric figure of merit of AgSbTe? as a function of temperature and carrier concentration.

  13. Quantitative assessment of electrostatic embedding in Density Functional Theory calculations of biomolecular systems

    SciTech Connect (OSTI)

    Fattebert, J; Law, R J; Bennion, B; Lau, E Y; Schwegler, E; Lightstone, F C

    2009-04-24

    We evaluate the accuracy of density functional theory quantum calculations of biomolecular subsystems using a simple electrostatic embedding scheme. Our scheme is based on dividing the system of interest into a primary and secondary subsystem. A finite difference discretization of the Kohn-Sham equations is used for the primary subsystem, while its electrostatic environment is modeled with a simple one-electron potential. Force-field atomic partial charges are used to generate smeared Gaussian charge densities and to model the secondary subsystem. We illustrate the utility of this approach with calculations of truncated dipeptide chains. We analyze quantitatively the accuracy of this approach by calculating atomic forces and comparing results with fullQMcalculations. The impact of the choice made in terminating dangling bonds at the frontier of the QM region is also investigated.

  14. Relativistic mean field calculations in neutron-rich nuclei

    SciTech Connect (OSTI)

    Gangopadhyay, G.; Bhattacharya, Madhubrata [Department of Physics, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700 009 (India); Roy, Subinit [Saha Institute of Nuclear Physics, Block AF, Sector 1, Kolkata- 700 064 (India)

    2014-08-14

    Relativistic mean field calculations have been employed to study neutron rich nuclei. The Lagrange's equations have been solved in the co-ordinate space. The effect of the continuum has been effectively taken into account through the method of resonant continuum. It is found that BCS approximation performs as well as a more involved Relativistic Continuum Hartree Bogoliubov approach. Calculations reveal the possibility of modification of magic numbers in neutron rich nuclei. Calculation for low energy proton scattering cross sections shows that the present approach reproduces the density in very light neutron rich nuclei.

  15. Numerical calculation of the ion polarization in MEIC

    SciTech Connect (OSTI)

    Derbenev, Yaroslav; Lin, Fanglei; Morozov, Vasiliy; Zhang, Yuhong; Kondratenko, Anatoliy; Kondratenko, M A; Filatov, Yury

    2015-09-01

    Ion polarization in the Medium-energy Electron-Ion Collider (MEIC) is controlled by means of universal 3D spin rotators designed on the basis of "weak" solenoids. We use numerical calculations to demonstrate that the 3D rotators have negligible effect on the orbital properties of the ring. We present calculations of the polarization dynamics along the collider's orbit for both longitudinal and transverse polarization directions at a beam interaction point. We calculate the degree of depolarization due to the longitudinal and transverse beam emittances in case when the zero-integer spin resonance is compensated.

  16. CRC handbook of nuclear reactors calculations. Vol. II

    SciTech Connect (OSTI)

    Ronen, Y.

    1986-01-01

    This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described. Volume II: Monte Carlo Calculations for Nuclear Reactors. In-Core Management of Four Reactor Types. In-Core Management in CANDU-PHW Reactors. Reactor Dynamics. The Theory of Neutron Leakage in Reactor Lattices. Index.

  17. Simplified method for calculating heating and cooling energy in residential buildings

    SciTech Connect (OSTI)

    Sonderegger, R.C.; Garnier, J.Y.

    1981-10-01

    A microcomputer-based program, Computerized, Instrumented, Residential Audit (CIRA), for determining economically optimal mixes of energy-saving measures in existing residential buildings was developed which requires extensive calculation of heating and cooling energy consumptions. In this paper, a simplified method of calculation that satisfies the requirements of speed and memory imposed by the type of microcomputer on which CIRA runs is presented. The method is based on monthly calculations of degree days and degree nights for both heating and cooling seasons. The base temperatures used in calculating the degree days and degree nights are derived from thermostat settings, solar and internal gains, sky radiation losses, and the thermal characteristics of the building envelope. Thermostat setbacks are handled by using the concept of effective thermal mass of the house. Performance variations of HVAC equipment with changes of part load and ambient conditions are taken into account using correlation curves based on experimental data. Degree days and nights for different base temperatures are evaluated by using a climate-specific empirical correlation with monthly average daily and nightly temperatures. Predictions obtained by this method and by DOE-2.1 are compared for the so-called Hastings ranch house for seven different climates in the United States. Heating and cooling energy consumptions predicted by CIRA lie generally within +- 10% of DOE-2.1 predictions.

  18. Property:Building/MeanAnnualTempCalculationPeriod | Open Energy...

    Open Energy Info (EERE)

    Property Edit with form History Property:BuildingMeanAnnualTempCalculationPeriod Jump to: navigation, search This is a property of type Number. Mean annual temperature during the...

  19. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction ...

  20. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical...

    Office of Scientific and Technical Information (OSTI)

    for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP ...

  1. Monte Carlo Hauser-Feshbach Calculations of Prompt Fission Neutrons...

    Office of Scientific and Technical Information (OSTI)

    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 ...

  2. Calculate Gas Phase Transport Properties of Pure Species and Mixtures

    Energy Science and Technology Software Center (OSTI)

    1997-10-20

    DRFM is a set of routines and data bases used to calculate gas phase transport properties of pure species and mixtures. The program(s) may stand alone or may be used as part of a larger simulation.

  3. Dose Rate Calculations for Rotary Mode Core Sampling Exhauster

    SciTech Connect (OSTI)

    FOUST, D.J.

    2000-10-26

    This document provides the calculated estimated dose rates for three external locations on the Rotary Mode Core Sampling (RMCS) exhauster HEPA filter housing, per the request of Characterization Field Engineering.

  4. Comparative study of defect transition energy calculation methods...

    Office of Scientific and Technical Information (OSTI)

    Comparative study of defect transition energy calculation methods: The case of oxygen vacancy in In2O3 and ZnO Prev Next Title: Comparative study of defect transition energy ...

  5. Point kinetics calculations with fully coupled thermal fluids reactivity feedback

    SciTech Connect (OSTI)

    Zhang, H.; Zou, L.; Andrs, D.; Zhao, H.; Martineau, R.

    2013-07-01

    The point kinetics model has been widely used in the analysis of the transient behavior of a nuclear reactor. In the traditional nuclear reactor system safety analysis codes such as RELAP5, the reactivity feedback effects are calculated in a loosely coupled fashion through operator splitting approach. This paper discusses the point kinetics calculations with the fully coupled thermal fluids and fuel temperature feedback implemented into the RELAP-7 code currently being developed with the MOOSE framework. (authors)

  6. Basis functions for electronic structure calculations on spheres

    SciTech Connect (OSTI)

    Gill, Peter M. W. Loos, Pierre-François Agboola, Davids

    2014-12-28

    We introduce a new basis function (the spherical Gaussian) for electronic structure calculations on spheres of any dimension D. We find general expressions for the one- and two-electron integrals and propose an efficient computational algorithm incorporating the Cauchy-Schwarz bound. Using numerical calculations for the D = 2 case, we show that spherical Gaussians are more efficient than spherical harmonics when the electrons are strongly localized.

  7. Multigroup Radiation Transport in Supernova Light Curve Calculations

    Office of Scientific and Technical Information (OSTI)

    (Technical Report) | SciTech Connect Technical Report: Multigroup Radiation Transport in Supernova Light Curve Calculations Citation Details In-Document Search Title: Multigroup Radiation Transport in Supernova Light Curve Calculations Authors: Even, Wesley P. [1] ; Frey, Lucille H. [1] ; Fryer, Christopher L. [1] ; Young, Patrick [2] + Show Author Affiliations Los Alamos National Laboratory Arizona State University Publication Date: 2013-04-29 OSTI Identifier: 1077017 Report Number(s):

  8. Ab Initio Calculations of Even Oxygen Isotopes with Chiral

    Office of Scientific and Technical Information (OSTI)

    Two-Plus-Three-Nucleon Interactions (Journal Article) | SciTech Connect Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Citation Details In-Document Search Title: Ab Initio Calculations of Even Oxygen Isotopes with Chiral Two-Plus-Three-Nucleon Interactions Authors: Hergert, H. ; Binder, S. ; Calci, A. ; Langhammer, J. ; Roth, R. Publication Date: 2013-06-10 OSTI Identifier: 1102833 Type: Publisher's Accepted Manuscript Journal Name: Physical

  9. Strategy Guideline. Accurate Heating and Cooling Load Calculations

    SciTech Connect (OSTI)

    Burdick, Arlan

    2011-06-01

    This guide presents the key criteria required to create accurate heating and cooling load calculations and offers examples of the implications when inaccurate adjustments are applied to the HVAC design process. The guide shows, through realistic examples, how various defaults and arbitrary safety factors can lead to significant increases in the load estimate. Emphasis is placed on the risks incurred from inaccurate adjustments or ignoring critical inputs of the load calculation.

  10. Strategy Guideline: Accurate Heating and Cooling Load Calculations

    SciTech Connect (OSTI)

    Burdick, A.

    2011-06-01

    This guide presents the key criteria required to create accurate heating and cooling load calculations and offers examples of the implications when inaccurate adjustments are applied to the HVAC design process. The guide shows, through realistic examples, how various defaults and arbitrary safety factors can lead to significant increases in the load estimate. Emphasis is placed on the risks incurred from inaccurate adjustments or ignoring critical inputs of the load calculation.

  11. Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Quantum Monte Carlo Calculations of Light Nuclei Using Chiral Potentials Citation Details In-Document Search 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. Publication Date: 2014-11-04 OSTI Identifier: 1181024 Grant/Contract Number: AC02-05CH11231 Type: Publisher's Accepted Manuscript Journal Name: Physical Review Letters

  12. Calculations Of Damage To Rotating Targets Under Intense Beams For

    Office of Scientific and Technical Information (OSTI)

    Super-Heavy Element Production (Journal Article) | SciTech Connect Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element Production Citation Details In-Document Search Title: Calculations Of Damage To Rotating Targets Under Intense Beams For Super-Heavy Element Production In the production of the heaviest elements, the cross-sections for evaporation residues are very small, which, in turn, requires the usage of intense beams. Hence, the targets used tend to

  13. Comparison of Methods for Calculating Radiative Heat Transfer

    SciTech Connect (OSTI)

    Schock, Alfred; Abbate, M J

    2012-01-19

    Various approximations for calculating radioactive heat transfer between parallel surfaces are evaluated. This is done by applying the approximations based on total emissivities to a special case of known spectral emissivities, for which exact heat transfer calculations are possible. Comparison of results indicates that the best approximation is obtained by basing the emissivity of the receiving surface primarily on the temperature of the emitter. A specific model is shown to give excellent agreement over a very wide range of values.

  14. Probing Actinide Electronic Structure through Pu Cluster Calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ryzhkov, Mickhail V.; Mirmelstein, Alexei; Yu, Sung-Woo; Chung, Brandon W.; Tobin, James G.

    2013-02-26

    The calculations for the electronic structure of clusters of plutonium have been performed, within the framework of the relativistic discrete-variational method. Moreover, these theoretical results and those calculated earlier for related systems have been compared to spectroscopic data produced in the experimental investigations of bulk systems, including photoelectron spectroscopy. Observation of the changes in the Pu electronic structure as a function of size provides powerful insight for aspects of bulk Pu electronic structure.

  15. Energy Cost Calculator for Commercial Ice Machines | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Ice Machines Energy Cost Calculator for Commercial Ice Machines Vary capacity size, energy cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to default value). Defaults Type of Ice Cube Machine Ice Making Head Self-Contained Remote Condensing Unit Ice Making Head Type of Condenser Air Cooled Water Cooled Air Cooled Ice Harvest Rate (lbs. ice per 24 hrs.) lbs. per 24 hrs. 500 lbs. per 24 hrs. Energy

  16. Energy Cost Calculator for Compact Fluorescent Lamps | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Compact Fluorescent Lamps Energy Cost Calculator for Compact Fluorescent Lamps This tool calculates the payback period for your calc retrofit project. Modify the default values to suit your project requirements. Existing incandescent lamp wattage Watts Incandescent lamp cost dollars Incandescent lamp life 1000 hours calc wattage Watts calc cost dollars calc life (6000 hours for moderate use, 10000 hours for high use) 8000 hours Number of lamps in retrofit project Hours operating per week hours

  17. Energy Cost Savings Calculator for Commercial Boilers: Closed Loop, Space

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Heating Applications Only | Department of Energy Commercial Boilers: Closed Loop, Space Heating Applications Only Energy Cost Savings Calculator for Commercial Boilers: Closed Loop, Space Heating Applications Only This cost calculator is a screening tool that estimates a product's lifetime energy cost savings at various efficiency levels. Learn more about the base model and other assumptions. Project Type Is this a new installation or a replacement? New Replacement What is the deliverable

  18. Theoretical calculating the thermodynamic properties of solid sorbents for

    Office of Scientific and Technical Information (OSTI)

    CO{sub 2} capture applications (Technical Report) | SciTech Connect Technical Report: Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications Citation Details In-Document Search Title: Theoretical calculating the thermodynamic properties of solid sorbents for CO{sub 2} capture applications Since current technologies for capturing CO{sub 2} to fight global climate change are still too energy intensive, there is a critical need for development

  19. Toward Catalyst Design from Theoretical Calculations (464th Brookhaven

    Office of Scientific and Technical Information (OSTI)

    Lecture) (Conference) | SciTech Connect Conference: Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Citation Details In-Document Search Title: Toward Catalyst Design from Theoretical Calculations (464th Brookhaven Lecture) Catalysts have been used to speed up chemical reactions as long as yeast has been used to make bread rise. Today, catalysts are used everywhere from home kitchens to industrial chemical factories. In the near future, new catalysts being

  20. CRC handbook of nuclear reactors calculations. Vol. I

    SciTech Connect (OSTI)

    Ronen, Y.

    1986-01-01

    This handbook breaks down the complex field of nuclear reactor calculations into major steps. Each step presents a detailed analysis of the problems to be solved, the parameters involved, and the elaborate computer programs developed to perform the calculations. This book bridges the gap between nuclear reactor theory and the implementation of that theory, including the problems to be encountered and the level of confidence that should be given to the methods described.

  1. EXPLANATION OF SIGNIFICANT DIFFERENCES

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    EXPLANATION OF SIGNIFICANT DIFFERENCE FOR THE 100-NR-1 OPERABLE UNIT TREATMENT, STORAGE, AND DISPOSAL INTERIM ACTION RECORD OF DECISION AND 100-NR-1/100-NR-2 OPERABLE UNIT INTERIM ACTION RECORD OF DECISION January 2003 SITE NAME AND LOCATION U.S. Department of Energy 100 Areas 100-NR-1 and 100-NR-2 Operable Units, Hanford Site Benton County, Washington INTRODUCTION TO THE SITE AND STATEMENT OF PURPOSE The Washington State Department of Ecology (Ecology), U.S. Environmental Protection Agency

  2. Air ingression calculations for selected plant transients using MELCOR

    SciTech Connect (OSTI)

    Kmetyk, L.N.

    1994-01-01

    Two sets of MELCOR calculations have been completed studying the effects of air ingression on the consequences of various severe accident scenarios. One set of calculations analyzed a station blackout with surge line failure prior to vessel breach, starting from nominal operating conditions; the other set of calculations analyzed a station blackout occurring during shutdown (refueling) conditions. Both sets of analyses were for the Surry plant, a three-loop Westinghouse PWR. For both accident scenarios, a basecase calculation was done, and then repeated with air ingression from containment into the core region following core degradation and vessel failure. In addition to the two sets of analyses done for this program, a similar air-ingression sensitivity study was done as part of a low-power/shutdown PRA, with results summarized here; that PRA study also analyzed a station blackout occurring during shutdown (refueling) conditions, but for the Grand Gulf plant, a BWR/6 with Mark III containment. These studies help quantify the amount of air that would have to enter the core region to have a significant impact on the severe accident scenario, and demonstrate that one effect, of air ingression is substantial enhancement of ruthenium release. These calculations also show that, while the core clad temperatures rise more quickly due to oxidation with air rather than steam, the core also degrades and relocates more quickly, so that no sustained, enhanced core heatup is predicted to occur with air ingression.

  3. EXTERNAL CRITICALITY CALCULATION FOR DOE SNF CODISPOSAL WASTE PACKAGES

    SciTech Connect (OSTI)

    H. Radulescu

    2002-10-18

    The purpose of this document is to evaluate the potential for criticality for the fissile material that could accumulate in the near-field (invert) and in the far-field (host rock) beneath the U.S. Department of Energy (DOE) spent nuclear fuel (SNF) codisposal waste packages (WPs) as they degrade in the proposed monitored geologic repository at Yucca Mountain. The scope of this calculation is limited to the following DOE SNF types: Shippingport Pressurized Water Reactor (PWR), Enrico Fermi, Fast Flux Test Facility (FFTF), Fort St. Vrain, Melt and Dilute, Shippingport Light Water Breeder Reactor (LWBR), N-Reactor, and Training, Research, Isotope, General Atomics reactor (TRIGA). The results of this calculation are intended to be used for estimating the probability of criticality in the near-field and in the far-field. There are no limitations on use of the results of this calculation. The calculation is associated with the waste package design and was developed in accordance with the technical work plan, ''Technical Work Plan for: Department of Energy Spent Nuclear Fuel and Plutonium Disposition Work Packages'' (Bechtel SAIC Company, LLC [BSC], 2002a). This calculation is subject to the Quality Assurance Requirements and Description (QARD) per the activity evaluation under work package number P6212310Ml in the technical work plan TWP-MGR-MD-0000 10 REV 01 (BSC 2002a).

  4. Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

    SciTech Connect (OSTI)

    Lin, Lianshan

    2015-10-13

    The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hot applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.

  5. Calculating nonlocal optical properties of structures with arbitrary shape.

    SciTech Connect (OSTI)

    McMahon, J. M.; Gray, S. K.; Schatz, G. C.; Northwestern Univ.

    2010-07-16

    In a recent Letter [J. M. McMahon, S. K. Gray, and G. C. Schatz, Phys. Rev. Lett. 103, 097403 (2009)], we outlined a computational method to calculate the optical properties of structures with a spatially nonlocal dielectric function. In this paper, we detail the full method and verify it against analytical results for cylindrical nanowires. Then, as examples of our method, we calculate the optical properties of Au nanostructures in one, two, and three dimensions. We first calculate the transmission, reflection, and absorption spectra of thin films. Because of their simplicity, these systems demonstrate clearly the longitudinal (or volume) plasmons characteristic of nonlocal effects, which result in anomalous absorption and plasmon blueshifting. We then study the optical properties of spherical nanoparticles, which also exhibit such nonlocal effects. Finally, we compare the maximum and average electric field enhancements around nanowires of various shapes to local theory predictions. We demonstrate that when nonlocal effects are included, significant decreases in such properties can occur.

  6. Influence of polarization and a source model for dose calculation in MRT

    SciTech Connect (OSTI)

    Bartzsch, Stefan Oelfke, Uwe; Lerch, Michael; Petasecca, Marco; Bruer-Krisch, Elke

    2014-04-15

    Purpose: Microbeam Radiation Therapy (MRT), an alternative preclinical treatment strategy using spatially modulated synchrotron radiation on a micrometer scale, has the great potential to cure malignant tumors (e.g., brain tumors) while having low side effects on normal tissue. Dose measurement and calculation in MRT is challenging because of the spatial accuracy required and the arising high dose differences. Dose calculation with Monte Carlo simulations is time consuming and their accuracy is still a matter of debate. In particular, the influence of photon polarization has been discussed in the literature. Moreover, it is controversial whether a complete knowledge of phase space trajectories, i.e., the simulation of the machine from the wiggler to the collimator, is necessary in order to accurately calculate the dose. Methods: With Monte Carlo simulations in the Geant4 toolkit, the authors investigate the influence of polarization on the dose distribution and the therapeutically important peak to valley dose ratios (PVDRs). Furthermore, the authors analyze in detail phase space information provided byMartnez-Rovira et al. [Development and commissioning of a Monte Carlo photon model for the forthcoming clinical trials in microbeam radiation therapy, Med. Phys. 39(1), 119131 (2012)] and examine its influence on peak and valley doses. A simple source model is developed using parallel beams and its applicability is shown in a semiadjoint Monte Carlo simulation. Results are compared to measurements and previously published data. Results: Polarization has a significant influence on the scattered dose outside the microbeam field. In the radiation field, however, dose and PVDRs deduced from calculations without polarization and with polarization differ by less than 3%. The authors show that the key consequences from the phase space information for dose calculations are inhomogeneous primary photon flux, partial absorption due to inclined beam incidence outside the field center, increased beam width and center to center distance due to the beam propagation from the collimator to the phantom surface and imperfect absorption in the absorber material of the Multislit Collimator. These corrections have an effect of approximately 10% on the valley dose and suffice to describe doses in MRT within the measurement uncertainties of currently available dosimetry techniques. Conclusions: The source for the first clinical pet trials in MRT is characterized with respect to its phase space and the photon polarization. The results suggest the use of a presented simplified phase space model in dose calculations and hence pave the way for alternative and fast dose calculation algorithms. They also show that the polarization is of minor importance for the clinical important peak and valley doses inside the microbeam field.

  7. Fast optimization and dose calculation in scanned ion beam therapy

    SciTech Connect (OSTI)

    Hild, S.; Graeff, C.; Trautmann, J.; Kraemer, M.; Zink, K.; Durante, M.; Bert, C.

    2014-07-15

    Purpose: Particle therapy (PT) has advantages over photon irradiation on static tumors. An increased biological effectiveness and active target conformal dose shaping are strong arguments for PT. However, the sensitivity to changes of internal geometry complicates the use of PT for moving organs. In case of interfractionally moving objects adaptive radiotherapy (ART) concepts known from intensity modulated radiotherapy (IMRT) can be adopted for PT treatments. One ART strategy is to optimize a new treatment plan based on daily image data directly before a radiation fraction is delivered [treatment replanning (TRP)]. Optimizing treatment plans for PT using a scanned beam is a time consuming problem especially for particles other than protons where the biological effective dose has to be calculated. For the purpose of TRP, fast optimization and fast dose calculation have been implemented into the GSI in-house treatment planning system (TPS) TRiP98. Methods: This work reports about the outcome of a code analysis that resulted in optimization of the calculation processes as well as implementation of routines supporting parallel execution of the code. To benchmark the new features, the calculation time for therapy treatment planning has been studied. Results: Compared to the original version of the TPS, calculation times for treatment planning (optimization and dose calculation) have been improved by a factor of 10 with code optimization. The parallelization of the TPS resulted in a speedup factor of 12 and 5.5 for the original version and the code optimized version, respectively. Hence the total speedup of the new implementation of the authors' TPS yielded speedup factors up to 55. Conclusions: The improved TPS is capable of completing treatment planning for ion beam therapy of a prostate irradiation considering organs at risk in this has been overseen in the review process. Also see below 6 min.

  8. An analytical method to calculate equivalent fields to irregular symmetric and asymmetric photon fields

    SciTech Connect (OSTI)

    Tahmasebi Birgani, Mohamad J.; Chegeni, Nahid; Zabihzadeh, Mansoor; Hamzian, Nima

    2014-04-01

    Equivalent field is frequently used for central axis depth-dose calculations of rectangular- and irregular-shaped photon beams. As most of the proposed models to calculate the equivalent square field are dosimetry based, a simple physical-based method to calculate the equivalent square field size was used as the basis of this study. The table of the sides of the equivalent square or rectangular fields was constructed and then compared with the well-known tables by BJR and Venselaar, et al. with the average relative error percentage of 2.5 ± 2.5% and 1.5 ± 1.5%, respectively. To evaluate the accuracy of this method, the percentage depth doses (PDDs) were measured for some special irregular symmetric and asymmetric treatment fields and their equivalent squares for Siemens Primus Plus linear accelerator for both energies, 6 and 18 MV. The mean relative differences of PDDs measurement for these fields and their equivalent square was approximately 1% or less. As a result, this method can be employed to calculate equivalent field not only for rectangular fields but also for any irregular symmetric or asymmetric field.

  9. Calculation of anharmonic couplings and THz linewidths in crystalline PETN

    SciTech Connect (OSTI)

    Pereverzev, Andrey Sewell, Thomas D. Thompson, Donald L.

    2014-03-14

    We have developed a method for calculating the cubic anharmonic couplings in molecular crystals for normal modes with the zero wave vector in the framework of classical mechanics, and have applied it, combined with perturbation theory, to obtain the linewidths of all infrared absorption lines of crystalline pentaerythritol tetranitrate in the terahertz region (<100 cm{sup ?1}). Contributions of the up- and down-conversion processes to the total linewidth were calculated. The computed linewidths are in qualitative agreement with experimental data and the results of molecular dynamics simulations. Quantum corrections to the linewidths in the terahertz region are shown to be negligible.

  10. Fast, narrow-band computer model for radiation calculations

    SciTech Connect (OSTI)

    Yan, Z.; Holmstedt, G.

    1997-01-01

    A fast, narrow-band computer model, FASTNB, which predicts the radiation intensity in a general nonisothermal and nonhomogeneous combustion environment, has been developed. The spectral absorption coefficients of the combustion products, including carbon dioxide, water vapor, and soot, are calculated based on the narrow-band model. FASTNB provides an accurate calculation at reasonably high speed. Compared with Grosshandler`s narrow-band model, RADCAL, which has been verified quite extensively against experimental measurements, FASTNB is more than 20 times faster and gives almost exactly the same results.

  11. SUBJECT: CALCULATION OF JOB CREATION THROUGH RECOVERY ACT FUNDING

    Energy Savers [EERE]

    WEATHERIZATION PROGRAM NOTICE 10-14A STATE ENERGY PROGRAM NOTICE 10-07A EECBG PROGRAM NOTICE 10-08A EFFECTIVE DATE: September 29, 2010 SUBJECT: CALCULATION OF JOB CREATION THROUGH DOE RECOVERY ACT FUNDING REFERENCE: OMB Memorandum M-10-08 Updated Guidance on the American Recovery and Reinvestment Act - Data Quality, Non-Reporting Recipients, and Reporting of Job Estimates, December 18, 2009. 1.0 PURPOSE: Provides additional guidance to grantees on the methodology for calculating jobs created and

  12. RADIATION DOSE CALCULATION FOR FUEL HANDLING FACILITY CLOSURE CELL EQUIPMENT

    SciTech Connect (OSTI)

    D. Musat

    2005-03-07

    This calculation evaluates the energy deposition rates in silicon, gamma and neutron flux spectra at various locations of interest throughout FHF closure cell. The physical configuration features a complex geometry, with particle flux attenuation of many orders of magnitude that cannot be modeled by computer codes that use deterministic methods. Therefore, in this calculation the Monte Carlo method was used to solve the photon and neutron transport. In contrast with the deterministic methods, Monte Carlo does not solve an explicit transport equation, but rather obtain answers by simulating individual particles, recording the aspects of interest of their average behavior, and estimates the statistical precision of the results.

  13. Energy Cost Calculator for Faucets and Showerheads | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Faucets and Showerheads Energy Cost Calculator for Faucets and Showerheads Vary utility cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to the default value). Defaults Water Saving Product Faucet Showerhead Faucet Showerhead Flow Rate gpm 2.2 gpm 2.5 gpm Water Cost (including waste water charges) $/1000 gal $4/1000 gal $4/1000 gal Gas Cost $/therm 0.60 $/therm 0.60 $/therm Electricity Cost $/kWh 0.06

  14. The first-principle coupled calculations using TMCC and CFX for the pin-wise simulation of LWR

    SciTech Connect (OSTI)

    Li, L.; Wang, K.

    2012-07-01

    The coupling of neutronics and thermal-hydraulics plays an important role in the reactor safety, core design and operation of nuclear power facilities. This paper introduces the research on the coupling of Monte Carlo method and CFD method, specifically using TMCC and CFX. The methods of the coupling including the coupling approach, data transfer, mesh mapping and transient coupling scheme are studied firstly. The coupling of TMCC and CFX for the steady state calculations is studied and described for the single rod model and the 3 x 3 Rod Bundle model. The calculation results prove that the coupling method is feasible and the coupled calculation can be used for steady state calculations. However, the oscillation which occurs during the coupled calculation indicates that this method still needs to be improved for the accuracy. Then the coupling for the transient calculations is also studied and tested by two cases of the steady state and the lost of heat sink. The preliminary results of the transient coupled calculations indicates that the transient coupling with TMCC and CFX is able to simulate the transients but instabilities are occurring. It is also concluded that the transient coupling of TMCC and CFX needs to be improved due to the limitation of computational resource and the difference of time scales. (authors)

  15. HVDC-AC system interaction from AC harmonics. Volume 1. Harmonic impedance calculations. Final report

    SciTech Connect (OSTI)

    Breuer, G D; Chow, J H; Lindh, C B; Miller, N W; Numrich, F H; Price, W W; Turner, A E; Whitney, R R

    1982-09-01

    Improved methods are needed to characterize ac system harmonic behavior for ac filter design for HVDC systems. The purpose of this General Electric Company RP1138 research is to evaluate the present filter design practice and to investigate methods for calculating system harmonic impedances. An overview of ac filter design for HVDC systems and a survey of literature related to filter design have been performed. Two methods for calculating system harmonic impedances have been investigated. In the measurement method, an instrumentation system for measuring system voltage and current has been assembled. Different schemes of using the measurements to calculate system harmonic impedances have been studied. In the analytical method, a procedure to include various operating conditions has been proposed. Computer programs for both methods have been prepared, and the results of the measurement and analytical methods analyzed. A conclusion of the project is that the measurement and analytical methods both provided reasonable results. There are correlations between the measured and analytical results for most harmonics, although there are discrepancies between the assumptions used in the two methods. A sensitivity approach has been proposed to further correlate the results. From the results of the analysis, it is recommended that both methods should be tested further. For the measurement method, more testing should be done to cover different system operating conditions. In the analytical method, more detailed models for representing system components should be studied. In addition, alternative statistical and sensitivity approaches should be attempted.

  16. Magnetic design calculation and FRC formation modeling for the field reversed experiment liner

    SciTech Connect (OSTI)

    Dorf, L. A.; Intrator, T. P.; Renneke, R.; Hsu, S. C.; Wurden, G. A.; Awe, T.; Siemon, R.; Semenov, V. E.

    2008-10-01

    Integrated magnetic modeling and design are important to meet the requirements for (1) formation, (2) translation, and (3) compression of a field reversed configuration (FRC) for magnetized target fusion. Off-the-shelf solutions do not exist for many generic design issues. A predictive capability for time-dependent magnetic diffusion in realistically complicated geometry is essential in designing the experiment. An eddy-current code was developed and used to compute the mutual inductances between driven magnetic coils and passive magnetic shields (flux excluder plates) to calculate the self-consistent axisymmetric magnetic fields during the first two stages. The plasma in the formation stage was modeled as an immobile solid cylinder with selectable constant resistivity and magnetic flux that was free to readjust itself. It was concluded that (1) use of experimentally obtained anomalously large plasma resistivity in magnetic diffusion simulations is sufficient to predict magnetic reconnection and FRC formation, (2) comparison of predicted and experimentally observed timescales for FRC Ohmic decay shows good agreement, and (3) for the typical range of resistivities, the magnetic null radius decay rate scales linearly with resistivity. The last result can be used to predict the rate of change in magnetic flux outside of the separatrix (equal to the back-emf loop voltage), and thus estimate a minimum {theta}-coil loop voltage required to form an FRC.

  17. Fuzzy-probabilistic calculations of water-balance uncertainty

    SciTech Connect (OSTI)

    Faybishenko, B.

    2009-10-01

    Hydrogeological systems are often characterized by imprecise, vague, inconsistent, incomplete, or subjective information, which may limit the application of conventional stochastic methods in predicting hydrogeologic conditions and associated uncertainty. Instead, redictions and uncertainty analysis can be made using uncertain input parameters expressed as probability boxes, intervals, and fuzzy numbers. The objective of this paper is to present the theory for, and a case study as an application of, the fuzzyprobabilistic approach, ombining probability and possibility theory for simulating soil water balance and assessing associated uncertainty in the components of a simple waterbalance equation. The application of this approach is demonstrated using calculations with the RAMAS Risk Calc code, to ssess the propagation of uncertainty in calculating potential evapotranspiration, actual evapotranspiration, and infiltration-in a case study at the Hanford site, Washington, USA. Propagation of uncertainty into the results of water-balance calculations was evaluated by hanging he types of models of uncertainty incorporated into various input parameters. The results of these fuzzy-probabilistic calculations are compared to the conventional Monte Carlo simulation approach and estimates from field observations at the Hanford site.

  18. How to Calculate the True Cost of Steam

    Broader source: Energy.gov [DOE]

    This brief details how to calculate the true cost of steam, which is important for monitoring and managing energy use in a plant, evaluating proposed design changes to the generation or distribution infrastructure and the process itself, and for continuing to identify competitive advantages through steam system and plant efficiency improvements.

  19. RZ calculations for self shielded multigroup cross sections

    SciTech Connect (OSTI)

    Li, M.; Sanchez, R.; Zmijarevic, I.; Stankovski, Z.

    2006-07-01

    A collision probability method has been implemented for RZ geometries. The method accounts for white albedo, specular and translation boundary condition on the top and bottom surfaces of the geometry and for a white albedo condition on the outer radial surface. We have applied the RZ CP method to the calculation of multigroup self shielded cross sections for Gadolinia absorbers in BWRs. (authors)

  20. Calculation of Job Creation Through DOE Recovery Act Funding

    Broader source: Energy.gov [DOE]

    U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy (EERE) Weatherization Assistance Program, State Energy Program, and Energy Efficiency and Conservation Block Grant program notices calculating job creation under projects selected by states, local governments, Indian tribes, and overseas U.S. territories with funding under the 2009 American Reinvestment and Recovery Act.

  1. Atomic Structure Calculations from the Los Alamos Atomic Physics Codes

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Cowan, R. D.

    The well known Hartree-Fock method of R.D. Cowan, developed at Los Alamos National Laboratory, is used for the atomic structure calculations. Electron impact excitation cross sections are calculated using either the distorted wave approximation (DWA) or the first order many body theory (FOMBT). Electron impact ionization cross sections can be calculated using the scaled hydrogenic method developed by Sampson and co-workers, the binary encounter method or the distorted wave method. Photoionization cross sections and, where appropriate, autoionizations are also calculated. Original manuals for the atomic structure code, the collisional excitation code, and the ionization code, are available from this website. Using the specialized interface, you will be able to define the ionization stage of an element and pick the initial and final configurations. You will be led through a series of web pages ending with a display of results in the form of cross sections, collision strengths or rates coefficients. Results are available in tabular and graphic form.

  2. Gas-storage calculations yield accurate cavern, inventory data

    SciTech Connect (OSTI)

    Mason, R.G. )

    1990-07-02

    This paper discusses how determining gas-storage cavern size and inventory variance is now possible with calculations based on shut-in cavern surveys. The method is the least expensive of three major methods and is quite accurate when recorded over a period of time.

  3. EQ6 Calculations for Chemical Degradation of Navy Waste Packages

    SciTech Connect (OSTI)

    S. LeStrange

    1999-11-15

    The Monitored Geologic Repository Waste Package Operations of the Civilian Radioactive Waste Management System Management & Operating Contractor (CRWMS M&O) performed calculations to provide input for disposal of spent nuclear fuel (SNF) from the Navy (Refs. 1 and 2). The Navy SNF has been considered for disposal at the potential Yucca Mountain site. For some waste packages, the containment may breach (Ref. 3), allowing the influx of water. Water in the waste package may moderate neutrons, increasing the likelihood of a criticality event within the waste package. The water may gradually leach the fissile components and neutron absorbers out of the waste package. In addition, the accumulation of silica (SiO{sub 2}) in the waste package over time may further affect the neutronics of the system. This study presents calculations of the long-term geochemical behavior of waste packages containing the Enhanced Design Alternative (EDA) II inner shell, Navy canister, and basket components. The calculations do not include the Navy SNF in the waste package. The specific study objectives were to determine the chemical composition of the water and the quantity of silicon (Si) and other solid corrosion products in the waste package during the first million years after the waste package is breached. The results of this calculation will be used to ensure that the type and amount of criticality control material used in the waste package design will prevent criticality.

  4. Calculated analysis of experiments in fast neutron reactors

    SciTech Connect (OSTI)

    Davydov, V. K. Kalugina, K. M.; Gomin, E. A.

    2012-12-15

    In this paper, the results of computational simulation of experiments with the MK-I core of the JOYO fast neutron sodium-cooled reactor are presented. The MCU-KS code based on the Monte Carlo method was used for calculations. The research was aimed at additional verification of the MCU-KS code for systems with a fast neutron spectrum.

  5. A new hydrocarbon empirical potential in angle bending calculation for the molecular dynamics simulation

    SciTech Connect (OSTI)

    Ping, Tan Ai; Hoe, Yeak Su

    2014-07-10

    Typically, short range potential only depends on neighbouring atoms and its parameters function can be categorized into bond stretching, angle bending and bond rotation potential. In this paper, we present our work called Angle Bending (AB) potential, whereas AB potential is the extension of our previous work namely Bond Stretching (BS) potential. Basically, potential will tend to zero after truncated region, potential in specific region can be represented by different piecewise polynomial. We proposed the AB piecewise potential which is possible to solve a system involving three atoms. AB potential able to handle the potential of covalent bonds for three atoms as well as two atoms cases due to its degeneracy properties. Continuity for the piecewise polynomial has been enforced by coupling with penalty methods. There are still plenty of improvement spaces for this AB potential. The improvement for three atoms AB potential will be studied and further modified into torsional potential which are the ongoing current research.

  6. Calculations to assist in a new Hiroshima yield estimate. Final report, August 19-December 31, 1983

    SciTech Connect (OSTI)

    Kennedy, L.W.; Roth, L.A.; Needham, C.E.

    1984-06-15

    This report describes calculations and analysis performed in an attempt to provide a new estimate for the yield of the Hiroshima weapon. Newly discovered meteorological data was adapted for use in one- and two-dimensional hydrodynamic codes, and a series of calculations was then run for different values of yield. The objective was to determine what yield produced an overpressure record which could best be correlated with an actual trace measured at a parachute-dropped canister. Altitude of the bomb and canister-carrying aircraft at drop time was also a variable parameter. The analysis provides an estimate of 16.6 + 0.3 kt for the yield of the Hiroshima weapon. A drop altitude of near 35,500 feet is shown to be consistent with the signal time-of-arrival. This yield value is within the range of other estimates, but the drop altitude is higher than that previously assumed to be reasonable.

  7. Benchmark data for validating irradiated fuel compositions used in criticality calculations

    SciTech Connect (OSTI)

    Bierman, S.R.; Talbert, R.J.

    1994-10-01

    To establish criticality safety margins utilizing burnup credit in the storage and transport of spent reactor fuels requires a knowledge of the uncertainty in the calculated fuel composition used in making the reactivity assessment. To provide data for validating such calculated burnup fuel compositions, radiochemical assays have been obtained as part of the United States Department of Energy From-Reactor Cask Development Program. Assay results and associated operating histories on the initial three samples analyzed in this effort are presented. The three samples were taken from different axial regions of a Pressurized Water Reactor fuel rod and represent radiation exposures of about 37, 27, and 44 GWd/MTU. The data are presented in a benchmark type format to facilitate identification/referencing and computer code input.

  8. Ab initio calculations of singlet and triplet excited states of chlorine nitrate and nitric acid

    SciTech Connect (OSTI)

    Grana, A.M.; Head-Gordon, M. |; Lee, T.J.

    1995-03-16

    Ab initio calculations of vertical excitations to single and triplet excited states of chlorine nitrate and nitric acid are reported, using the CIS, CIS(D), and CCSD methods. The effects of basis set composition and calculational methods are investigated. The nature of the electronic transitions are examined by decomposing the difference density into the sum of detachment and attachment densities. Counterparts for the three lowest singlet excited states of nitric acid survive relatively unperturbed in chlorine nitrate, while other low lying singlet states of chlorine nitrate appear to be directly dissociative in the CIO chromophore. These results suggest an assignment of the two main peaks in the experimental chlorine nitrate absorption spectrum. In addition, triplet vertical excitations and the lowest optimized triplet geometries of both molecules are studied. 70 refs., 2 figs., 6 tabs.

  9. Evaluation of Radiation Doses Due to Consumption of Contaminated Food Items and Calculation of Food Class-Specific Derived Intervention Levels

    SciTech Connect (OSTI)

    Heinzelman, K M; Mansfield, W G

    2010-04-27

    This document evaluates the expected radiation dose due to the consumption of several specific food classes (dairy, meat, produce, etc.) contaminated with specific radionuclides, and relates concentration levels in food to the detection abilities of typical aboratory analysis/measurement methods. The attached charts present the limiting organ dose as a function of the radionuclide concentration in a particular food class, and allow the user to compare these concentrations and doses to typical analytical detection apabilities. The expected radiation dose depends on several factors: the age of the individual; the radionuclide present in the food; the concentration of the radionuclide in the food; and the amount of food consumed. Food consumption rates for individuals of various ges were taken from the 1998 United States Food and Drug Administration (FDA) document, Accidental Radioactive Contamination of HUman Food and Animal Feeds: Recommendations for State and Local Agencies. In that document, the FDA defines the erived Intervention Level (DIL), which is the concentration of a particular radionuclide in food that if consumed could result in an individual receiving a radiation dose exceeding the Protection Action Guide (PAG) thresholds for intervention. This document also resents odified, food class specific DIL, which is calculated using a somewhat modified version of the FDA's procedure. This document begins with an overview of the FDA's DIL calculation, followed by a description of the food class specific DIL calculations, and finally charts of the radiation dose per radioactivity concentration for several food class/radionuclide combinations.

  10. Native defects in Tl6SI4: Density functional calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shi, Hongliang; Du, Mao -Hua

    2015-05-05

    In this study, Tl6SI4 is a promising room-temperature semiconductor radiation detection material. Here, we report density functional calculations of native defects and dielectric properties of Tl6SI4. Formation energies and defect levels of native point defects and defect complexes are calculated. Donor-acceptor defect complexes are shown to be abundant in Tl6SI4. High resistivity can be obtained by Fermi level pinning by native donor and acceptor defects. Deep donors that are detrimental to electron transport are identified and methods to mitigate such problem are discussed. Furthermore, we show that mixed ionic-covalent character of Tl6SI4 gives rise to enhanced Born effective charges andmore » large static dielectric constant, which provides effective screening of charged defects and impurities.« less

  11. HLW Canister and Can-In-Canister Drop Calculation

    SciTech Connect (OSTI)

    H. Marr

    1999-09-15

    The purpose of this calculation is to evaluate the structural response of the standard high-level waste (HLW) canister and the HLW canister containing the cans of immobilized plutonium (''can-in-canister'' throughout this document) to the drop event during the handling operation. The objective of the calculation is to provide the structure parameter information to support the canister design and the waste handling facility design. Finite element solution is performed using the commercially available ANSYS Version (V) 5.4 finite element code. Two-dimensional (2-D) axisymmetric and three-dimensional (3-D) finite element representations for the standard HLW canister and the can-in-canister are developed and analyzed using the dynamic solver.

  12. Interactive savings calculations for RCS measures, six case studies

    SciTech Connect (OSTI)

    Stovall, T.K.

    1983-11-01

    Many Residential Conservation Service (RCS) audits are based, in whole or in part, on the RCS Model Audit. This audit calculates the savings for each measure independently, that is, as if no other conservation actions were taken. This method overestimates the total savings due to a group of measures, and an explanatory warning is given to the customer. Presenting interactive results to consumers would increase the perceived credibility of the audit results by eliminating the need for the warning about uncalculated interactive effects. An increased level of credibility would hopefully lead to an increased level of conservation actions based on the audit results. Because many of the existing RCS audits are based on the RCS Model Audit, six case studies were produced to show that the Model Audit algorithms can be used to produce interactive savings estimates. These six Model Audit case studies, as well as two Computerized Instrumented Residential Audit cases, are presented along with a discussion of the calculation methods used.

  13. Variational calculations of the HT{sup +} rovibrational energies

    SciTech Connect (OSTI)

    Bekbaev, A. K.; Korobov, V. I.; Dineykhan, M.

    2011-04-15

    In this Brief Report, we use the exponential explicitly correlated variational basis set of the type exp(-{alpha}{sub n}R-{beta}{sub n}r{sub 1}-{gamma}{sub n}r{sub 2}) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion HT{sup +}. We perform calculations for the states of the total orbital angular momentum L=0 and 1 with the complete set of vibrational quantum numbers v= 0-23, as well as for the states of L= 2-5 and v= 0-5. The E1 dipole transition moments, which are of importance for the planning of spectroscopic laser experiments, have been obtained as well.

  14. Mesoscale polycrystal calculations of damage in spallation in metals

    SciTech Connect (OSTI)

    Tonks, Davis L [Los Alamos National Laboratory; Bingert, John F [Los Alamos National Laboratory; Livescu, Veronica [Los Alamos National Laboratory; Luo, Shengnian [Los Alamos National Laboratory; Bronkhorst, C A [Los Alamos National Laboratory

    2010-01-01

    The goal of this project is to produce a damage model for spallation in metals informed by the polycrystalline grain structure at the mesoscale. Earlier damage models addressed the continuwn macroscale in which these effects were averaged out. In this work we focus on cross sections from recovered samples examined with EBSD (electron backscattered diffraction), which reveal crystal grain orientations and voids. We seek to understand the loading histories of specific sample regions by meshing up the crystal grain structure of these regions and simulating the stress, strain, and damage histories in our hydro code, FLAG. The stresses and strain histories are the fundamental drivers of damage and must be calculated. The calculated final damage structures are compared with those from the recovered samples to validate the simulations.

  15. Optimized Algorithm for Collision Probability Calculations in Cubic Geometry

    SciTech Connect (OSTI)

    Garcia, R.D.M.

    2004-06-15

    An optimized algorithm for implementing a recently developed method of computing collision probabilities (CPs) in three dimensions is reported in this work for the case of a homogeneous cube. Use is made of the geometrical regularity of the domain to rewrite, in a very compact way, the approximate formulas for calculating CPs in general three-dimensional geometry that were derived in a previous work by the author. The ensuing gain in computation time is found to be substantial: While the computation time associated with the general formulas increases as K{sup 2}, where K is the number of elements used in the calculation, that of the specific formulas increases only linearly with K. Accurate numerical results are given for several test cases, and an extension of the algorithm for computing the self-collision probability for a hexahedron is reported at the end of the work.

  16. Transmutation calculations for the accelerator transmutation of waste (ATW) program

    SciTech Connect (OSTI)

    Wilson, W.B.; Arthur, E.D.; Bowman, C.D.; Engel, L.N.; England, T.R.; Hughes, H.G.; Lisowski, P.W.; Perry, R.T.

    1991-01-01

    The disposal of radioactive waste by the transmutation of long-lived radionuclides is being considered; now using neutrons produced with an intense beam of 1.6-GeV protons on a Pb-Bi target. Study teams have been active in the areas of accelerator design, beam transport, radiation transport, transmutation, fluid flow and heat transfer, process chemistry and system analyses. Work is of a preliminary and developmental nature. Here we describe these preliminary efforts in transmutation calculations; the tools developed, status of basic nuclear data, and some early results. These calculations require the description of the intensity and spectrum of neutrons produced by the beam, the distribution of nuclides produced in the medium-energy reactions, the transport of particles produced by the beam, the transmutation of the target materials and transmutation products, and the decay properties of the inventory of radionuclides produced.

  17. Polybrominated diphenyl ethers in e-waste: Level and transfer in a typical e-waste recycling site in Shanghai, Eastern China

    SciTech Connect (OSTI)

    Li, Yue; Duan, Yan-Ping, E-mail: duanyanping@tongji.edu.cn; Huang, Fan; Yang, Jing; Xiang, Nan; Meng, Xiang-Zhou; Chen, Ling

    2014-06-01

    Highlights: PBDEs were detected in the majority of e-waste. PBDEs were found in TVs made in China after 1990. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS. The inappropriate recycling and disposal of e-waste is an important source of PBDEs. - Abstract: Very few data for polybrominated diphenyl ethers (PBDEs) were available in the electronic waste (e-waste) as one of the most PBDEs emission source. This study reported concentrations of PBDEs in e-waste including printer, rice cooker, computer monitor, TV, electric iron and water dispenser, as well as dust from e-waste, e-waste dismantling workshop and surface soil from inside and outside of an e-waste recycling plant in Shanghai, Eastern China. The results showed that PBDEs were detected in the majority of e-waste, and the concentrations of ?PBDEs ranged from not detected to 175 g/kg, with a mean value of 10.8 g/kg. PBDEs were found in TVs made in China after 1990. The mean concentrations of ?PBDEs in e-waste made in Korea, Japan, Singapore and China were 1.84 g/kg, 20.5 g/kg, 0.91 g/kg, 4.48 g/kg, respectively. The levels of ?PBDEs in e-waste made in Japan far exceed the threshold limit of RoHS (1.00 g/kg). BDE-209 dominated in e-waste, accounting for over 93%. The compositional patterns of PBDEs congeners resembled the profile of Saytex 102E, indicating the source of deca-BDE. Among the samples of dust and surface soil from a typical e-waste recycling site, the highest concentrations of ?{sub 18}PBDEs and BDE-209 were found in dust in e-waste, ranging from 1960 to 340,710 ng/g and from 910 to 320,400 ng/g, which were 12 orders of magnitude higher than other samples. It suggested that PBDEs released from e-waste via dust, and then transferred to surrounding environment.

  18. Strategy Guideline: Accurate Heating and Cooling Load Calculations

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Strategy Guideline: Accurate Heating and Cooling Load Calculations Arlan Burdick IBACOS, Inc. June 2011 ii NOTICE This report was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process

  19. Hot zero power reactor calculations using the Insilico code

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hamilton, Steven P.; Evans, Thomas M.; Davidson, Gregory G.; Johnson, Seth R.; Pandya, Tara M.; Godfrey, Andrew T.

    2016-03-18

    In this paper we describe the reactor physics simulation capabilities of the insilico code. A description of the various capabilities of the code is provided, including detailed discussion of the geometry, meshing, cross section processing, and neutron transport options. Numerical results demonstrate that the insilico SPN solver with pin-homogenized cross section generation is capable of delivering highly accurate full-core simulation of various PWR problems. Comparison to both Monte Carlo calculations and measured plant data is provided.

  20. Detailed photonuclear cross-section calculations and astrophysical applications

    SciTech Connect (OSTI)

    Gardner, D.G.; Gardner, M.A.; Hoff, R.W.

    1989-06-15

    We have investigated the role of an isomeric state and its coupling to the ground state (g.s.) via photons and neutron inelastic scattering in a stellar environment by making detailed photonuclear and neutron cross-section calculations for /sup 176/Lu and /sup 210/Bi. In the case of /sup 176/Lu, the g.s. would function as an excellent galactic slow- (s-) process chronometer were it not for the 3.7-h isomer at 123 keV. Our calculations predicted much larger photon cross sections for production of the isomer, as well as a lower threshold, than had been assumed based on earlier measurements. These two factors combine to indicate that an enormous correction, a factor of 10/sup 7/, must be applied to shorten the current estimate of the half-life against photoexcitation of /sup 176/Lu as a function of temperature. This severely limits the use of /sup 176/Lu as a stellar chronometer and indicates a significantly lower temperature at which the two states reach thermal equilibrium. For /sup 210/Bi, our preliminary calculations of the production and destruction of the 3 /times/ 10/sup 6/ y isomeric state by neutrons and photons suggest that the /sup 210/Bi isomer may not be destroyed by photons as rapidly as assumed in certain stellar environments. This leads to an alternate production path of /sup 207/Pb and significantly affects presently interpreted lead isotopic abundances. We have been able to make such detailed nuclear cross-section calculations using: modern statistical-model codes of the Hauser-Feshbach type, with complete conservation of angular momentum and parity; reliable systematics of the input parameters required by these codes, including knowledge of the absolute gamma-ray strength-functions for E1, M1, and E2 transitions; and codes developed to compute large, discrete, nuclear level sets, their associated gamma-ray branchings, and the presence and location of isomeric states. 7 refs., 2 figs.

  1. Calculations of pair production by Monte Carlo methods

    SciTech Connect (OSTI)

    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.

  2. First Principles Calculations and NMR Spectroscopy of Electrode Materials |

    Broader source: Energy.gov (indexed) [DOE]

    Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon es054_2011_ceder_o.pdf More Documents & Publications Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials FY 2011 Annual Progress Report for Energy Storage R&D FY 2012 Annual Progress Report for Energy Storage R&D

  3. Application of nuclear models to neutron nuclear cross section calculations

    SciTech Connect (OSTI)

    Young, P.G.

    1982-01-01

    Nuclear theory is used increasingly to supplement and extend the nuclear data base that is available for applied studies. Areas where theoretical calculations are most important include the determination of neutron cross sections for unstable fission products and transactinide nuclei in fission reactor or nuclear waste calculations and for meeting the extensive dosimetry, activation, and neutronic data needs associated with fusion reactor development, especially for neutron energies above 14 MeV. Considerable progress has been made in the use of nuclear models for data evaluation and, particularly, in the methods used to derive physically meaningful parameters for model calculations. Theoretical studies frequently involve use of spherical and deformed optical models, Hauser-Feshbach statistical theory, preequilibrium theory, direct-reaction theory, and often make use of gamma-ray strength function models and phenomenological (or microscopic) level density prescriptions. The development, application, and limitations of nuclear models for data evaluation are discussed, with emphasis on the 0.1 to 50 MeV energy range. (91 references).

  4. Carcass Functions in Variational Calculations for Few-Body Systems

    SciTech Connect (OSTI)

    Donchev, A.G.; Kalachev, S.A.; Kolesnikov, N.N.; Tarasov, V.I.

    2004-12-01

    For variational calculations of molecular and nuclear systems involving a few particles, it is proposed to use carcass basis functions that generalize exponential and Gaussian trial functions. It is shown that the matrix elements of the Hamiltonian are expressed in a closed form for a Coulomb potential, as well as for other popular particle-interaction potentials. The use of such carcass functions in two-center Coulomb problems reduces, in relation to other methods, the number of terms in a variational expansion by a few orders of magnitude at a commensurate or even higher accuracy. The efficiency of the method is illustrated by calculations of the three-particle Coulomb systems {mu}{mu}e, ppe, dde, and tte and the four-particle molecular systems H{sub 2} and HeH{sup +} of various isotopic composition. By considering the example of the {sub {lambda}}{sup 9}Be hypernucleus, it is shown that the proposed method can be used in calculating nuclear systems as well.

  5. Criticality calculations with MCNP{sup TM}: A primer

    SciTech Connect (OSTI)

    Mendius, P.W.; Harmon, C.D. II; Busch, R.D.; Briesmeister, J.F.; Forster, R.A.

    1994-08-01

    The purpose of this Primer is to assist the nuclear criticality safety analyst to perform computer calculations using the Monte Carlo code MCNP. Because of the closure of many experimental facilities, reliance on computer simulation is increasing. Often the analyst has little experience with specific codes available at his/her facility. This Primer helps the analyst understand and use the MCNP Monte Carlo code for nuclear criticality analyses. It assumes no knowledge of or particular experience with Monte Carlo codes in general or with MCNP in particular. The document begins with a Quickstart chapter that introduces the basic concepts of using MCNP. The following chapters expand on those ideas, presenting a range of problems from simple cylinders to 3-dimensional lattices for calculating keff confidence intervals. Input files and results for all problems are included. The Primer can be used alone, but its best use is in conjunction with the MCNP4A manual. After completing the Primer, a criticality analyst should be capable of performing and understanding a majority of the calculations that will arise in the field of nuclear criticality safety.

  6. Materials Databases Infrastructure Constructed by First Principles Calculations: A Review

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lin, Lianshan

    2015-10-13

    The First Principles calculations, especially the calculation based on High-Throughput Density Functional Theory, have been widely accepted as the major tools in atom scale materials design. The emerging super computers, along with the powerful First Principles calculations, have accumulated hundreds of thousands of crystal and compound records. The exponential growing of computational materials information urges the development of the materials databases, which not only provide unlimited storage for the daily increasing data, but still keep the efficiency in data storage, management, query, presentation and manipulation. This review covers the most cutting edge materials databases in materials design, and their hotmore » applications such as in fuel cells. By comparing the advantages and drawbacks of these high-throughput First Principles materials databases, the optimized computational framework can be identified to fit the needs of fuel cell applications. The further development of high-throughput DFT materials database, which in essence accelerates the materials innovation, is discussed in the summary as well.« less

  7. SNS Sample Activation Calculator Flux Recommendations and Validation

    SciTech Connect (OSTI)

    McClanahan, Tucker C.; Gallmeier, Franz X.; Iverson, Erik B.; Lu, Wei

    2015-02-01

    The Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) uses the Sample Activation Calculator (SAC) to calculate the activation of a sample after the sample has been exposed to the neutron beam in one of the SNS beamlines. The SAC webpage takes user inputs (choice of beamline, the mass, composition and area of the sample, irradiation time, decay time, etc.) and calculates the activation for the sample. In recent years, the SAC has been incorporated into the user proposal and sample handling process, and instrument teams and users have noticed discrepancies in the predicted activation of their samples. The Neutronics Analysis Team validated SAC by performing measurements on select beamlines and confirmed the discrepancies seen by the instrument teams and users. The conclusions were that the discrepancies were a result of a combination of faulty neutron flux spectra for the instruments, improper inputs supplied by SAC (1.12), and a mishandling of cross section data in the Sample Activation Program for Easy Use (SAPEU) (1.1.2). This report focuses on the conclusion that the SAPEU (1.1.2) beamline neutron flux spectra have errors and are a significant contributor to the activation discrepancies. The results of the analysis of the SAPEU (1.1.2) flux spectra for all beamlines will be discussed in detail. The recommendations for the implementation of improved neutron flux spectra in SAPEU (1.1.3) are also discussed.

  8. Dose calculation for permanent prostate implants incorporating spatially anisotropic linearly time-resolving edema

    SciTech Connect (OSTI)

    Monajemi, T. T.; Clements, Charles M.; Sloboda, Ron S.

    2011-04-15

    Purpose: The objectives of this study were (i) to develop a dose calculation method for permanent prostate implants that incorporates a clinically motivated model for edema and (ii) to illustrate the use of the method by calculating the preimplant dosimetry error for a reference configuration of {sup 125}I, {sup 103}Pd, and {sup 137}Cs seeds subject to edema-induced motions corresponding to a variety of model parameters. Methods: A model for spatially anisotropic edema that resolves linearly with time was developed based on serial magnetic resonance imaging measurements made previously at our center to characterize the edema for a group of n=40 prostate implant patients [R. S. Sloboda et al., ''Time course of prostatic edema post permanent seed implant determined by magnetic resonance imaging,'' Brachytherapy 9, 354-361 (2010)]. Model parameters consisted of edema magnitude, {Delta}, and period, T. The TG-43 dose calculation formalism for a point source was extended to incorporate the edema model, thus enabling calculation via numerical integration of the cumulative dose around an individual seed in the presence of edema. Using an even power piecewise-continuous polynomial representation for the radial dose function, the cumulative dose was also expressed in closed analytical form. Application of the method was illustrated by calculating the preimplant dosimetry error, RE{sub preplan}, in a 5x5x5 cm{sup 3} volume for {sup 125}I (Oncura 6711), {sup 103}Pd (Theragenics 200), and {sup 131}Cs (IsoRay CS-1) seeds arranged in the Radiological Physics Center test case 2 configuration for a range of edema relative magnitudes ({Delta}=[0.1,0.2,0.4,0.6,1.0]) and periods (T=[28,56,84] d). Results were compared to preimplant dosimetry errors calculated using a variation of the isotropic edema model developed by Chen et al. [''Dosimetric effects of edema in permanent prostate seed implants: A rigorous solution,'' Int. J. Radiat. Oncol., Biol., Phys. 47, 1405-1419 (2000)]. Results: As expected, RE{sub preplan} for our edema model indicated underdosage in the calculation volume with a clear dependence on seed and calculation point positions, and increased with increasing values of {Delta} and T. Values of RE{sub preplan} were generally larger near the ends of the virtual prostate in the RPC phantom compared with more central locations. For edema characteristics similar to the population average values previously measured at our center, i.e., {Delta}=0.2 and T=28 d, mean values of RE{sub preplan} in an axial plane located 1.5 cm from the center of the seed distribution were 8.3% for {sup 131}Cs seeds, 7.5% for {sup 103}Pd seeds, and 2.2% for {sup 125}I seeds. Maximum values of RE{sub preplan} in the same plane were about 1.5 times greater. Note that detailed results strictly apply only for loose seed implants where the seeds are fixed in tissue and move in synchrony with that tissue. Conclusions: A dose calculation method for permanent prostate implants incorporating spatially anisotropic linearly time-resolving edema was developed for which cumulative dose can be written in closed form. The method yields values for RE{sub preplan} that differ from those for spatially isotropic edema. The method is suitable for calculating pre- and postimplant dosimetry correction factors for clinical seed configurations when edema characteristics can be measured or estimated.

  9. Large-scale real-space density-functional calculations: Moiré-induced electron localization in graphene

    SciTech Connect (OSTI)

    Oshiyama, Atsushi Iwata, Jun-Ichi; Uchida, Kazuyuki; Matsushita, Yu-Ichiro

    2015-03-21

    We show that our real-space finite-difference scheme allows us to perform density-functional calculations for nanometer-scale targets containing more than 100 000 atoms. This real-space scheme is applied to twisted bilayer graphene, clarifying that Moiré pattern induced in the slightly twisted bilayer graphene drastically modifies the atomic and electronic structures.

  10. Wider pulsation instability regions for β Cephei and SPB stars calculated using new Los Alamos opacities

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Walczak, Przemysław; Fontes, Christopher John; Colgan, James Patrick; Kilcrease, David Parker; Guzik, Joyce Ann

    2015-08-13

    Here, our goal is to test the newly developed OPLIB opacity tables from Los Alamos National Laboratory and check their influence on the pulsation properties of B-type stars. We calculated models using MESA and Dziembowski codes for stellar evolution and linear, nonadiabatic pulsations, respectively. We derived the instability domains of β Cephei and SPB-types for different opacity tables OPLIB, OP, and OPAL. As a result, the new OPLIB opacities have the highest Rosseland mean opacity coefficient near the so-called Z-bump. Therefore, the OPLIB instability domains are wider than in the case of OP and OPAL data.

  11. Methodology for Calculating Cost-per-Mile for Current and Future Vehicle Powertrain Technologies, with Projections to 2024: Preprint

    SciTech Connect (OSTI)

    Ruth, M.; Timbario, T. A.; Timbario, T. J.; Laffen, M.

    2011-01-01

    Currently, several cost-per-mile calculators exist that can provide estimates of acquisition and operating costs for consumers and fleets. However, these calculators are limited in their ability to determine the difference in cost per mile for consumer versus fleet ownership, to calculate the costs beyond one ownership period, to show the sensitivity of the cost per mile to the annual vehicle miles traveled (VMT), and to estimate future increases in operating and ownership costs. Oftentimes, these tools apply a constant percentage increase over the time period of vehicle operation, or in some cases, no increase in direct costs at all over time. A more accurate cost-per-mile calculator has been developed that allows the user to analyze these costs for both consumers and fleets. The calculator was developed to allow simultaneous comparisons of conventional light-duty internal combustion engine (ICE) vehicles, mild and full hybrid electric vehicles (HEVs), and fuel cell vehicles (FCVs). This paper is a summary of the development by the authors of a more accurate cost-per-mile calculator that allows the user to analyze vehicle acquisition and operating costs for both consumer and fleets. Cost-per-mile results are reported for consumer-operated vehicles travelling 15,000 miles per year and for fleets travelling 25,000 miles per year.

  12. Weather data for simplified energy calculation methods. Volume IV. United States: WYEC data

    SciTech Connect (OSTI)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities using Weather Year for Energy Calculations (WYEC) source weather data. Considerable overlap is present in cities (21) covered by both the TRY and WYEC data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  13. Dose calculations for the concrete water tunnels at 190-C Area, Hanford Site

    SciTech Connect (OSTI)

    Kamboj, S.; Yu, C.

    1997-01-01

    The RESRAD-BUILD code was used to calculate the radiological dose from the contaminated concrete water tunnels at the 190-C Area at the Hanford Site. Two exposure scenarios, recreationist and maintenance worker, were considered. A residential scenario was not considered because the material was assumed to be left intact (i.e., the concrete would not be rubbleized because the location would not be suitable for construction of a house). The recreationist was assumed to use the tunnel for 8 hours per day for 1 week as an overnight shelter. The maintenance worker was assumed to spend 20 hours per year working in the tunnel. Six exposure pathways were considered in calculating the dose. Three external exposure pathways involved penetrating radiation emitted directly from the contaminated tunnel floor, emitted from radioactive particulates deposited on the tunnel floor, and resulting from submersion in airborne radioactive particulates. Three internal exposure pathways involved inhalation of airborne radioactive particulates; inadvertent direct ingestion of removable, contaminated material on the tunnel floor; and inadvertent indirect ingestion of airborne particulates deposited on the tunnel floor. The gradual removal of surface contamination over time and the ingrowth of decay products were considered in calculating the dose at different times. The maximum doses were estimated to be 1.5 mrem/yr for the recreationist and 0.34 mrem/yr for the maintenance worker.

  14. Theoretical calculations and vibrational potential energy surface of 4-silaspiro(3,3)heptane

    SciTech Connect (OSTI)

    Ocola, Esther J.; Medders, Cross; Laane, Jaan; Meinander, Niklas

    2014-04-28

    Theoretical computations have been carried out on 4-silaspiro(3,3)heptane (SSH) in order to calculate its molecular structure and conformational energies. The molecule has two puckered four-membered rings with dihedral angles of 34.2 and a tilt angle of 9.4 between the two rings. Energy calculations were carried out for different conformations of SSH. These results allowed the generation of a two-dimensional ring-puckering potential energy surface (PES) of the form V = a(x{sub 1}{sup 4} + x{sub 2}{sup 4}) b(x{sub 1}{sup 2} + x{sub 2}{sup 2}) + cx{sub 1}{sup 2}x{sub 2}{sup 2}, where x{sub 1} and x{sub 2} are the ring-puckering coordinates for the two rings. The presence of sufficiently high potential energy barriers prevents the molecule from undergoing pseudorotation. The quantum states, wave functions, and predicted spectra resulting from the PESs were calculated.

  15. Reactor physics simulations with coupled Monte Carlo calculation and computational fluid dynamics.

    SciTech Connect (OSTI)

    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 transport and CFD solutions. Previous researchers have successfully performed Monte Carlo calculations with limited thermal feedback. In fact, much of the validation of the deterministic neutronics transport code DeCART in was performed using the Monte Carlo code McCARD which employs a limited thermal feedback model. However, for a broader range of temperature/fluid applications it was desirable to couple Monte Carlo to a more sophisticated temperature fluid solution such as CFD. This paper focuses on the methods used to couple Monte Carlo to CFD and their application to a series of simple test problems.

  16. A brief comparison between grid based real space algorithms andspectrum algorithms for electronic structure calculations

    SciTech Connect (OSTI)

    Wang, Lin-Wang

    2006-12-01

    Quantum mechanical ab initio calculation constitutes the biggest portion of the computer time in material science and chemical science simulations. As a computer center like NERSC, to better serve these communities, it will be very useful to have a prediction for the future trends of ab initio calculations in these areas. Such prediction can help us to decide what future computer architecture can be most useful for these communities, and what should be emphasized on in future supercomputer procurement. As the size of the computer and the size of the simulated physical systems increase, there is a renewed interest in using the real space grid method in electronic structure calculations. This is fueled by two factors. First, it is generally assumed that the real space grid method is more suitable for parallel computation for its limited communication requirement, compared with spectrum method where a global FFT is required. Second, as the size N of the calculated system increases together with the computer power, O(N) scaling approaches become more favorable than the traditional direct O(N{sup 3}) scaling methods. These O(N) methods are usually based on localized orbital in real space, which can be described more naturally by the real space basis. In this report, the author compares the real space methods versus the traditional plane wave (PW) spectrum methods, for their technical pros and cons, and the possible of future trends. For the real space method, the author focuses on the regular grid finite different (FD) method and the finite element (FE) method. These are the methods used mostly in material science simulation. As for chemical science, the predominant methods are still Gaussian basis method, and sometime the atomic orbital basis method. These two basis sets are localized in real space, and there is no indication that their roles in quantum chemical simulation will change anytime soon. The author focuses on the density functional theory (DFT), which is the most used method for quantum mechanical material science simulation.

  17. Carbon Calculator for Land Use Change from Biofuels Production (CCLUB). Users' manual and technical documentation.

    SciTech Connect (OSTI)

    Mueller, S; Dunn, JB; Wang, M

    2012-06-07

    The Carbon Calculator for Land Use Change from Biofuels Production (CCLUB) calculates carbon emissions from land use change (LUC) for four different ethanol production pathways including corn grain ethanol and cellulosic ethanol from corn stover, miscanthus, and switchgrass. This document discusses the version of CCLUB released May 31, 2012 which includes corn, as did the previous CCLUB version, and three cellulosic feedstocks: corn stover, miscanthus, and switchgrass. CCLUB calculations are based upon two data sets: land change areas and above- and below-ground carbon content. Table 1 identifies where these data are stored and used within the CCLUB model, which is built in MS Excel. Land change area data is from Purdue University's Global Trade Analysis Project (GTAP) model, a computable general equilibrium (CGE) economic model. Section 2 describes the GTAP data CCLUB uses and how these data were modified to reflect shrubland transitions. Feedstock- and spatially-explicit below-ground carbon content data for the United States were generated with a surrogate model for CENTURY's soil organic carbon sub-model (Kwon and Hudson 2010) as described in Section 3. CENTURY is a soil organic matter model developed by Parton et al. (1987). The previous CCLUB version used more coarse domestic carbon emission factors. Above-ground non-soil carbon content data for forest ecosystems was sourced from the USDA/NCIAS Carbon Online Estimator (COLE) as explained in Section 4. We discuss emission factors used for calculation of international greenhouse gas (GHG) emissions in Section 5. Temporal issues associated with modeling LUC emissions are the topic of Section 6. Finally, in Section 7 we provide a step-by-step guide to using CCLUB and obtaining results.

  18. High-accuracy coupled cluster calculations of atomic properties

    SciTech Connect (OSTI)

    Borschevsky, A.; Yakobi, H.; Eliav, E.; Kaldor, U.

    2015-01-22

    The four-component Fock-space coupled cluster and intermediate Hamiltonian methods are implemented to evaluate atomic properties. The latter include the spectra of nobelium and lawrencium (elements 102 and 103) in the range 20000-30000 cm{sup −1}, the polarizabilities of elements 112-114 and 118, required for estimating their adsorption enthalpies on surfaces used to separate them in accelerators, and the nuclear quadrupole moments of some heavy atoms. The calculations on superheavy elements are supported by the very good agreement with experiment obtained for the lighter homologues.

  19. Uncertainty quantification in lattice QCD calculations for nuclear physics

    SciTech Connect (OSTI)

    Beane, Silas R.; Detmold, William; Orginos, Kostas; Savage, Martin J.

    2015-02-05

    The numerical technique of Lattice QCD holds the promise of connecting the nuclear forces, nuclei, the spectrum and structure of hadrons, and the properties of matter under extreme conditions with the underlying theory of the strong interactions, quantum chromodynamics. A distinguishing, and thus far unique, feature of this formulation is that all of the associated uncertainties, both statistical and systematic can, in principle, be systematically reduced to any desired precision with sufficient computational and human resources. As a result, we review the sources of uncertainty inherent in Lattice QCD calculations for nuclear physics, and discuss how each is quantified in current efforts.

  20. Adaptations in Electronic Structure Calculations in Heterogeneous Environments

    SciTech Connect (OSTI)

    Talamudupula, Sai

    2011-11-29

    Modern quantum chemistry deals with electronic structure calculations of unprecedented complexity and accuracy. They demand full power of high-performance computing and must be in tune with the given architecture for superior e#14;ciency. To make such applications resourceaware, it is desirable to enable their static and dynamic adaptations using some external software (middleware), which may monitor both system availability and application needs, rather than mix science with system-related calls inside the application. The present work investigates scienti#12;c application interlinking with middleware based on the example of the computational chemistry package GAMESS and middleware NICAN. The existing synchronous model is limited by the possible delays due to the middleware processing time under the sustainable runtime system conditions. Proposed asynchronous and hybrid models aim at overcoming this limitation. When linked with NICAN, the fragment molecular orbital (FMO) method is capable of adapting statically and dynamically its fragment scheduling policy based on the computing platform conditions. Signi#12;cant execution time and throughput gains have been obtained due to such static adaptations when the compute nodes have very di#11;erent core counts. Dynamic adaptations are based on the main memory availability at run time. NICAN prompts FMO to postpone scheduling certain fragments, if there is not enough memory for their immediate execution. Hence, FMO may be able to complete the calculations whereas without such adaptations it aborts.

  1. Efficient Execution of Electronic Structure Calculations on SMP Clusters

    SciTech Connect (OSTI)

    Nurzhan Ustemirov

    2006-05-01

    Applications augmented with adaptive capabilities are becoming common in parallel computing environments. For large-scale scientific applications, dynamic adjustments to a computationally-intensive part may lead to a large pay-off in facilitating efficient execution of the entire application while aiming at avoiding resource contention. Application-specific knowledge, often best revealed during the run-time, is required to initiate and time these adjustments. In particular, General Atomic and Molecular Electronic Structure System (GAMESS) is a program for ab initio quantum chemistry that places significant demands on the high-performance computing platforms. Certain electronic structure calculations are characterized by high consumption of a particular resource, such as CPU, main memory, or disk I/O. This may lead to resource contention among concurrent GAMESS jobs and other programs in the dynamically changing environment. Thus, it is desirable to improve GAMESS calculations by means of dynamic adaptations. In this thesis, we show how an application- or algorithm-specific knowledge may play a significant role in achieving this goal. The choice of implementation is facilitated by a module-driven middleware easily integrated with GAMESS that assesses resource consumption and invokes GAMESS adaptations to the system environment. We show that the throughput of GAMESS jobs may be improved greatly as a result of such adaptations.

  2. ORBIT : BEAM DYNAMICS CALCULATIONS FOR HIGH - INTENSITY RINGS.

    SciTech Connect (OSTI)

    HOLMES,J.A.; DANILOV,V.; GALAMBOS,J.; SHISHLO,A.; COUSINEAU,S.; CHOU,W.; MICHELOTTI,L.; OSTIGUY,F.; WEI,J.

    2002-06-03

    We are developing a computer code, ORBIT, specifically for beam dynamics calculations in high-intensity rings. Our approach allows detailed simulation of realistic accelerator problems. ORBIT is a particle-in-cell tracking code that transports bunches of interacting particles through a series of nodes representing elements, effects, or diagnostics that occur in the accelerator lattice. At present, ORBIT contains detailed models for strip-foil injection including painting and foil scattering; rf focusing and acceleration; transport through various magnetic elements; longitudinal and transverse impedances; longitudinal, transverse, and three-dimensional space charge forces; collimation and limiting apertures; and the calculation of many useful diagnostic quantities. ORBIT is an object-oriented code, written in C++ and utilizing a scripting interface for the convenience of the user. Ongoing improvements include the addition of a library of accelerator maps, BEAMLINE/MXYZPTLK the introduction of a treatment magnet errors and fringe fields; the conversion of the scripting interface to the standard scripting language, Python; and the parallelization of the computations using MPI. The ORBIT code is an open source, powerful, and convenient tool for studying beam dynamics in high-intensity rings.

  3. Recent Developments in No-Core Shell-Model Calculations

    SciTech Connect (OSTI)

    Navratil, P; Quaglioni, S; Stetcu, I; Barrett, B R

    2009-03-20

    We present an overview of recent results and developments of the no-core shell model (NCSM), an ab initio approach to the nuclear many-body problem for light nuclei. In this aproach, we start from realistic two-nucleon or two- plus three-nucleon interactions. Many-body calculations are performed using a finite harmonic-oscillator (HO) basis. To facilitate convergence for realistic inter-nucleon interactions that generate strong short-range correlations, we derive effective interactions by unitary transformations that are tailored to the HO basis truncation. For soft realistic interactions this might not be necessary. If that is the case, the NCSM calculations are variational. In either case, the ab initio NCSM preserves translational invariance of the nuclear many-body problem. In this review, we, in particular, highlight results obtained with the chiral two- plus three-nucleon interactions. We discuss efforts to extend the applicability of the NCSM to heavier nuclei and larger model spaces using importance-truncation schemes and/or use of effective interactions with a core. We outline an extension of the ab initio NCSM to the description of nuclear reactions by the resonating group method technique. A future direction of the approach, the ab initio NCSM with continuum, which will provide a complete description of nuclei as open systems with coupling of bound and continuum states is given in the concluding part of the review.

  4. SIMPLE TRANSIENT CALCULATIONS OF CELL FLAMMABLE GAS CONCENTRATIONS

    SciTech Connect (OSTI)

    , J; David Allison , D; John Mccord, J

    2009-05-06

    The Saltstone Facility at Savannah River Site (SRS) mixes low-level radiological liquid waste with grout for permanent disposal as cement in vault cells. The grout mixture is poured into each cell in approximately 17 batches (8 to 10 hours duration). The grout mixture contains ten flammable gases of concern that are released from the mixture into the cell. Prior to operations, simple parametric transient calculations were performed to develop batch parameters (including schedule of batch pours) to support operational efficiency while ensuring that a flammable gas mixture does not develop in the cell vapor space. The analysis demonstrated that a nonflammable vapor space environment can be achieved, with workable operational constraints, without crediting the ventilation flow as a safety system control. Isopar L was identified as the primary flammable gas of concern. The transient calculations balanced inflows of the flammable gases into the vapor space with credited outflows of diurnal breathing through vent holes and displacement from new grout pours and gases generated. Other important features of the analyses included identifying conditions that inhibited a well-mixed vapor space, the expected frequency and duration of such conditions, and the estimated level of stratification that could develop.

  5. Calculation of a BWR partial ATWS using RAMONA-3B

    SciTech Connect (OSTI)

    Garber, D.I.; Diamond, D.J.; Cheng, H.S.

    1982-01-01

    The RAMONA-3B code has been used to simulate a boiling water reactor (BWR) transient initiated by the closure of the main steam line isolation valves in which all the control rods in one-half the core fail to scram after reactor trip. The modeling of the nuclear steam supply system included three-dimensional neutron kinetics and parallel hydraulic channels (including a bypass channel). The transient is characterized by an initial pressure spike and then by oscillations in the pressure due to the opening and closing of relief valves. These oscillations in turn affect all thermohydraulic properties in the vessel. The simulation was continued for 7 minutes of reactor time at which point boron began to accumulate in the core. The calculation demonstrates the importance of using three-dimensional neutron kinetics in conjunction with the modeling of the nuclear steam supply system for this type of transient. RAMONA-3B is unique in its ability to do this type of calculation.

  6. Improved initial guess for minimum energy path calculations

    SciTech Connect (OSTI)

    Smidstrup, Sren; Pedersen, Andreas; Stokbro, Kurt

    2014-06-07

    A method is presented for generating a good initial guess of a transition path between given initial and final states of a system without evaluation of the energy. An objective function surface is constructed using an interpolation of pairwise distances at each discretization point along the path and the nudged elastic band method then used to find an optimal path on this image dependent pair potential (IDPP) surface. This provides an initial path for the more computationally intensive calculations of a minimum energy path on an energy surface obtained, for example, by ab initio or density functional theory. The optimal path on the IDPP surface is significantly closer to a minimum energy path than a linear interpolation of the Cartesian coordinates and, therefore, reduces the number of iterations needed to reach convergence and averts divergence in the electronic structure calculations when atoms are brought too close to each other in the initial path. The method is illustrated with three examples: (1) rotation of a methyl group in an ethane molecule, (2) an exchange of atoms in an island on a crystal surface, and (3) an exchange of two Si-atoms in amorphous silicon. In all three cases, the computational effort in finding the minimum energy path with DFT was reduced by a factor ranging from 50% to an order of magnitude by using an IDPP path as the initial path. The time required for parallel computations was reduced even more because of load imbalance when linear interpolation of Cartesian coordinates was used.

  7. Microscopic Calculation of 240Pu Scission with a Finite-Range...

    Office of Scientific and Technical Information (OSTI)

    The hot-scission line is identified in the quadrupole-octupole-moment coordinate space. Fission-fragment shapes are extracted from the calculations. A benchmark calculation for ...

  8. Rossi alpha Measurements and Calculations for HEU/Pb Core (Technical...

    Office of Scientific and Technical Information (OSTI)

    Rossi alpha Measurements and Calculations for HEUPb Core Citation Details In-Document Search Title: Rossi alpha Measurements and Calculations for HEUPb Core Rossi alpha ...

  9. Rossi alpha Measurements and Calculations for HEU/Pb Core (Technical...

    Office of Scientific and Technical Information (OSTI)

    Rossi alpha Measurements and Calculations for HEUPb Core Citation Details In-Document Search Title: Rossi alpha Measurements and Calculations for HEUPb Core You are accessing ...

  10. Methods of calculating the post-closure performance of high-level waste repositories

    SciTech Connect (OSTI)

    Ross, B.

    1989-02-01

    This report is intended as an overview of post-closure performance assessment methods for high-level radioactive waste repositories and is designed to give the reader a broad sense of the state of the art of this technology. As described here, ''the state of the art'' includes only what has been reported in report, journal, and conference proceedings literature through August 1987. There is a very large literature on the performance of high-level waste repositories. In order to make a review of this breadth manageable, its scope must be carefully defined. The essential principle followed is that only methods of calculating the long-term performance of waste repositories are described. The report is organized to reflect, in a generalized way, the logical order to steps that would be taken in a typical performance assessment. Chapter 2 describes ways of identifying scenarios and estimating their probabilities. Chapter 3 presents models used to determine the physical and chemical environment of a repository, including models of heat transfer, radiation, geochemistry, rock mechanics, brine migration, radiation effects on chemistry, and coupled processes. The next two chapters address the performance of specific barriers to release of radioactivity. Chapter 4 treats engineered barriers, including containers, waste forms, backfills around waste packages, shaft and borehole seals, and repository design features. Chapter 5 discusses natural barriers, including ground water systems and stability of salt formations. The final chapters address optics of general applicability to performance assessment models. Methods of sensitivity and uncertainty analysis are described in Chapter 6, and natural analogues of repositories are treated in Chapter 7. 473 refs., 19 figs., 2 tabs.

  11. Ab initio calculation of the thermodynamic properties of InSb under intense laser irradiation

    SciTech Connect (OSTI)

    Feng, ShiQuan; Cheng, XinLu; Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu, 610064 ; Zhao, JianLing; Zhang, Hong

    2013-07-28

    In this paper, phonon spectra of InSb at different electronic temperatures are presented. Based on the phonon dispersion relationship, we further perform a theoretical investigation of the thermodynamic properties of InSb under intense laser irradiation. The phonon entropy, phonon heat capacity, and phonon contribution to Helmholtz free energy and internal energy of InSb are calculated as functions of temperature at different electronic temperatures. The abrupt change in the phonon entropy- temperature curve from T{sub e} = 0.75 to 1.0 eV provides an indication of InSb undergoing a phase transition from solid to liquid. It can be considered as a collateral evidence of non-thermal melting for InSb under intense electronic excitation effect.

  12. Stochastic Boundary, Diffusion, Emittance Growth and Lifetime calculation for the RHIC e-lens

    SciTech Connect (OSTI)

    Abreu,N.P.; Fischer, W.; Luo, Y.; Robert-Demolaize, G.

    2009-01-20

    To compensate the large tune shift and tune spread generated by the head-on beam-beam interactions in polarized proton operation in the Relativistic Heavy Ion Collider (RHIC), a low energy electron beam with proper Gaussian transverse profiles was proposed to collide head-on with the proton beam. In this article, using a modified version of SixTrack [1], we investigate stability of the single particle in the presence of head-on beam-beam compensation. The Lyapunov exponent and action diffusion are calculated and compared between the cases without and with beam-beam compensation for two different working points and various bunch intensities. Using the action diffusion results the emittance growth rate and lifetime of the proton beam is also estimated for the different scenarios.

  13. Ab initio calculation of the electronic absorption spectrum of liquid water

    SciTech Connect (OSTI)

    Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa; Departamento de Qumica e Bioqumica, Faculdade de Cincias, Universidade de Lisboa, 1749-016 Lisboa; Instituto de Fsica da Universidade de So Paulo, CP 66318, 05314-970 So Paulo, SP

    2014-04-28

    The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the OH stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase.

  14. Pre-test CFD Calculations for a Bypass Flow Standard Problem

    SciTech Connect (OSTI)

    Rich Johnson

    2011-11-01

    The bypass flow in a prismatic high temperature gas-cooled reactor (HTGR) is the flow that occurs between adjacent graphite blocks. Gaps exist between blocks due to variances in their manufacture and installation and because of the expansion and shrinkage of the blocks from heating and irradiation. Although the temperature of fuel compacts and graphite is sensitive to the presence of bypass flow, there is great uncertainty in the level and effects of the bypass flow. The Next Generation Nuclear Plant (NGNP) program at the Idaho National Laboratory has undertaken to produce experimental data of isothermal bypass flow between three adjacent graphite blocks. These data are intended to provide validation for computational fluid dynamic (CFD) analyses of the bypass flow. Such validation data sets are called Standard Problems in the nuclear safety analysis field. Details of the experimental apparatus as well as several pre-test calculations of the bypass flow are provided. Pre-test calculations are useful in examining the nature of the flow and to see if there are any problems associated with the flow and its measurement. The apparatus is designed to be able to provide three different gap widths in the vertical direction (the direction of the normal coolant flow) and two gap widths in the horizontal direction. It is expected that the vertical bypass flow will range from laminar to transitional to turbulent flow for the different gap widths that will be available.

  15. Calculation of Design Parameters for an Equilibrium LEU Core in the NBSR

    SciTech Connect (OSTI)

    Hanson, A.L.; Diamond, D.

    2011-09-30

    A plan is being developed for the conversion of the NIST research reactor (NBSR) from high-enriched uranium (HEU) fuel to low-enriched uranium (LEU) fuel. Previously, the design of the LEU fuel had been determined in order to provide the users of the NBSR with the same cycle length as exists for the current HEU fueled reactor. The fuel composition at different points within an equilibrium fuel cycle had also been determined. In the present study, neutronics parameters have been calculated for these times in the fuel cycle for both the existing HEU and the proposed LEU equilibrium cores. The results showed differences between the HEU and LEU cores that would not lead to any significant changes in the safety analysis for the converted core. In general the changes were reasonable except that the figure-of-merit for neutrons that can be used by experimentalists shows there will be a 10% reduction in performance. The calculations included kinetics parameters, reactivity coefficients, reactivity worths of control elements and abnormal configurations, and power distributions.

  16. Waste Form Release Calculations for the 2005 Integrated Disposal Facility Performance Assessment

    SciTech Connect (OSTI)

    Bacon, Diana H.; McGrail, B PETER.

    2005-07-26

    A set of reactive chemical transport calculations was conducted with the Subsurface Transport Over Reactive Multiphases (STORM) code to evaluate the long-term performance of a representative low-activity waste glass in a shallow subsurface disposal system located on the Hanford Site. Two-dimensional simulations were run until the waste form release rates reached a quasi-stationary-state, usually after 2,000 to 4,000 yr. The primary difference between the waste form release simulations for the 2001 ILAW PA, and the simulations described herein, is the number of different materials considered. Whereas the previous PA considered only LAWABP1 glass, the current PA also describes radionuclide release from three different WTP glasses (LAWA44, LAWB45 and LAWC22), two different bulk vitrification glasses (6-tank composite and S-109), and three different grout waste forms (containing Silver Iodide, Barium Iodide and Barium Iodate). All WTP and bulk vitrification glasses perform well. However, the radionuclide release from the salt in the cast refractory surrounding the bulk vitrification waste packages is 2 to 170 times higher than the glass release rate, depending on the water recharge rate. Iodine-129 release from grouted waste forms is highly sensitive to the solubility of the iodine compound contained in the grout. The normalized iodine release rate from grout containing barium iodate is a factor of 10 higher than what the normalized release rate would be if the iodine were contained in LAWA44 glass.

  17. Calculated fission-fragment yield systematics in the region 74 <=Z <= 94 and 90 <=N <= 150

    SciTech Connect (OSTI)

    Möller, Peter; Randrup, Jørgen

    2015-04-01

    Background: In the seminal experiment by Schmidt et al. [Nucl. Phys. A 665, 221 (2000)] in which fission-fragment charge distributions were obtained for 70 nuclides, asymmetric distributions were seen above nucleon number A ≈ 226 and symmetric ones below. Because asymmetric fission had often loosely been explained as a preference for the nucleus to always exploit the extra binding of fragments near ¹³²Sn it was assumed that all systems below A ≈ 226 would fission symmetrically because available isotopes do not have a proton-to-neutron Z/N ratio that allows division into fragments near ¹³²Sn. But the finding by Andreyev et al. [Phys. Rev. Lett. 105, 252502 (2010)] did not conform to this expectation because the compound system ¹⁸⁰Hg was shown to fission asymmetrically. It was suggested that this was a new type of asymmetric fission, because no strong shell effects occur for any possible fragment division. Purpose: We calculate a reference database for fission-fragment mass yields for a large region of the nuclear chart comprising 987 nuclides. A particular aim is to establish whether ¹⁸⁰Hg is part of a contiguous region of asymmetric fission, and if so, its extent, or if not, in contrast to the actinides, there are scattered smaller groups of nuclei that fission asymmetrically in this area of the nuclear chart. Methods: We use the by now well benchmarked Brownian shape-motion method and perform random walks on the previously calculated five-dimensional potential-energy surfaces. The calculated shell corrections are damped out with energy according to a prescription developed earlier. Results: We have obtained a theoretical reference database of fission-fragment mass yields for 987 nuclides. These results show an extended region of asymmetric fission with approximate extension 74 ≤ Z ≤ 85 and 100 ≤ N ≤ 120. The calculated yields are highly variable. We show 20 representative plots of these variable features and summarize the main aspects of our results in terms of “nuclear-chart” plots showing calculated degrees of asymmetry versus N and Z. Conclusions: Experimental data in this region are rare: only ten or so yield distributions have been measured, some with very limited statistics. We agree with several measurements with higher statistics. Regions where there might be differences between our calculated results and measurements lie near the calculated transition line between symmetric and asymmetric fission. To draw more definite conclusions about the accuracy of the present implementation of the Brownian shape-motion approach in this region experimental data, with reliable statistics, for a fair number of suitably located additional nuclides are clearly needed. Because the nuclear potential-energy structure is so different in this region compared to the actinide region, additional experimental data together with fission theory studies that incorporate additional, dynamical aspects should provide much new insight.

  18. Calculated fission-fragment yield systematics in the region 74 <=Z <= 94 and 90 <=N <= 150

    SciTech Connect (OSTI)

    Mller, Peter; Randrup, Jrgen

    2015-04-01

    Background: In the seminal experiment by Schmidt et al. [Nucl. Phys. A 665, 221 (2000)] in which fission-fragment charge distributions were obtained for 70 nuclides, asymmetric distributions were seen above nucleon number A ? 226 and symmetric ones below. Because asymmetric fission had often loosely been explained as a preference for the nucleus to always exploit the extra binding of fragments near Sn it was assumed that all systems below A ? 226 would fission symmetrically because available isotopes do not have a proton-to-neutron Z/N ratio that allows division into fragments near Sn. But the finding by Andreyev et al. [Phys. Rev. Lett. 105, 252502 (2010)] did not conform to this expectation because the compound system ??Hg was shown to fission asymmetrically. It was suggested that this was a new type of asymmetric fission, because no strong shell effects occur for any possible fragment division. Purpose: We calculate a reference database for fission-fragment mass yields for a large region of the nuclear chart comprising 987 nuclides. A particular aim is to establish whether ??Hg is part of a contiguous region of asymmetric fission, and if so, its extent, or if not, in contrast to the actinides, there are scattered smaller groups of nuclei that fission asymmetrically in this area of the nuclear chart. Methods: We use the by now well benchmarked Brownian shape-motion method and perform random walks on the previously calculated five-dimensional potential-energy surfaces. The calculated shell corrections are damped out with energy according to a prescription developed earlier. Results: We have obtained a theoretical reference database of fission-fragment mass yields for 987 nuclides. These results show an extended region of asymmetric fission with approximate extension 74 ? Z ? 85 and 100 ? N ? 120. The calculated yields are highly variable. We show 20 representative plots of these variable features and summarize the main aspects of our results in terms of nuclear-chart plots showing calculated degrees of asymmetry versus N and Z. Conclusions: Experimental data in this region are rare: only ten or so yield distributions have been measured, some with very limited statistics. We agree with several measurements with higher statistics. Regions where there might be differences between our calculated results and measurements lie near the calculated transition line between symmetric and asymmetric fission. To draw more definite conclusions about the accuracy of the present implementation of the Brownian shape-motion approach in this region experimental data, with reliable statistics, for a fair number of suitably located additional nuclides are clearly needed. Because the nuclear potential-energy structure is so different in this region compared to the actinide region, additional experimental data together with fission theory studies that incorporate additional, dynamical aspects should provide much new insight.

  19. Calculated fission-fragment yield systematics in the region 74 <=Z <= 94 and 90 <=N <= 150

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Möller, Peter; Randrup, Jørgen

    2015-04-01

    Background: In the seminal experiment by Schmidt et al. [Nucl. Phys. A 665, 221 (2000)] in which fission-fragment charge distributions were obtained for 70 nuclides, asymmetric distributions were seen above nucleon number A ≈ 226 and symmetric ones below. Because asymmetric fission had often loosely been explained as a preference for the nucleus to always exploit the extra binding of fragments near ¹³²Sn it was assumed that all systems below A ≈ 226 would fission symmetrically because available isotopes do not have a proton-to-neutron Z/N ratio that allows division into fragments near ¹³²Sn. But the finding by Andreyev et al.more » [Phys. Rev. Lett. 105, 252502 (2010)] did not conform to this expectation because the compound system ¹⁸⁰Hg was shown to fission asymmetrically. It was suggested that this was a new type of asymmetric fission, because no strong shell effects occur for any possible fragment division. Purpose: We calculate a reference database for fission-fragment mass yields for a large region of the nuclear chart comprising 987 nuclides. A particular aim is to establish whether ¹⁸⁰Hg is part of a contiguous region of asymmetric fission, and if so, its extent, or if not, in contrast to the actinides, there are scattered smaller groups of nuclei that fission asymmetrically in this area of the nuclear chart. Methods: We use the by now well benchmarked Brownian shape-motion method and perform random walks on the previously calculated five-dimensional potential-energy surfaces. The calculated shell corrections are damped out with energy according to a prescription developed earlier. Results: We have obtained a theoretical reference database of fission-fragment mass yields for 987 nuclides. These results show an extended region of asymmetric fission with approximate extension 74 ≤ Z ≤ 85 and 100 ≤ N ≤ 120. The calculated yields are highly variable. We show 20 representative plots of these variable features and summarize the main aspects of our results in terms of “nuclear-chart” plots showing calculated degrees of asymmetry versus N and Z. Conclusions: Experimental data in this region are rare: only ten or so yield distributions have been measured, some with very limited statistics. We agree with several measurements with higher statistics. Regions where there might be differences between our calculated results and measurements lie near the calculated transition line between symmetric and asymmetric fission. To draw more definite conclusions about the accuracy of the present implementation of the Brownian shape-motion approach in this region experimental data, with reliable statistics, for a fair number of suitably located additional nuclides are clearly needed. Because the nuclear potential-energy structure is so different in this region compared to the actinide region, additional experimental data together with fission theory studies that incorporate additional, dynamical aspects should provide much new insight.« less

  20. SU-E-T-599: The Variation of Hounsfield Unit and Relative Electron Density Determination as a Function of KVp and Its Effect On Dose Calculation Accuracy

    SciTech Connect (OSTI)

    Ohl, A; Boer, S De

    2014-06-01

    Purpose: To investigate the differences in relative electron density for different energy (kVp) settings and the effect that these differences have on dose calculations. Methods: A Nuclear Associates 76-430 Mini CT QC Phantom with materials of known relative electron densities was imaged by one multi-slice (16) and one single-slice computed tomography (CT) scanner. The Hounsfield unit (HU) was recorded for each material with energies ranging from 80 to 140 kVp and a representative relative electron density (RED) curve was created. A 5 cm thick inhomogeneity was created in the treatment planning system (TPS) image at a depth of 5 cm. The inhomogeneity was assigned HU for various materials for each kVp calibration curve. The dose was then calculated with the analytical anisotropic algorithm (AAA) at points within and below the inhomogeneity and compared using the 80 kVp beam as a baseline. Results: The differences in RED values as a function of kVp showed the largest variations of 580 and 547 HU for the Aluminum and Bone materials; the smallest differences of 0.6 and 3.0 HU were observed for the air and lung inhomogeneities. The corresponding dose calculations for the different RED values assigned to the 5 cm thick slab revealed the largest differences inside the aluminum and bone inhomogeneities of 2.2 to 6.4% and 4.3 to 7.0% respectively. The dose differences beyond these two inhomogeneities were between 0.4 to 1.6% for aluminum and 1.9 to 2.2 % for bone. For materials with lower HU the calculated dose differences were less than 1.0%. Conclusion: For high CT number materials the dose differences in the phantom calculation as high as 7.0% are significant. This result may indicate that implementing energy specific RED curves can increase dose calculation accuracy.

  1. CLEAR (Calculates Logical Evacuation And Response): A Generic Transportation Network Model for the Calculation of Evacuation Time Estimates

    SciTech Connect (OSTI)

    Moeller, M. P.; Urbanik, II, T.; Desrosiers, A. E.

    1982-03-01

    This paper describes the methodology and application of the computer model CLEAR (Calculates Logical Evacuation And Response) which estimates the time required for a specific population density and distribution to evacuate an area using a specific transportation network. The CLEAR model simulates vehicle departure and movement on a transportation network according to the conditions and consequences of traffic flow. These include handling vehicles at intersecting road segments, calculating the velocity of travel on a road segment as a function of its vehicle density, and accounting for the delay of vehicles in traffic queues. The program also models the distribution of times required by individuals to prepare for an evacuation. In order to test its accuracy, the CLEAR model was used to estimate evacuatlon tlmes for the emergency planning zone surrounding the Beaver Valley Nuclear Power Plant. The Beaver Valley site was selected because evacuation time estimates had previously been prepared by the licensee, Duquesne Light, as well as by the Federal Emergency Management Agency and the Pennsylvania Emergency Management Agency. A lack of documentation prevented a detailed comparison of the estimates based on the CLEAR model and those obtained by Duquesne Light. However, the CLEAR model results compared favorably with the estimates prepared by the other two agencies.

  2. Monte Carlo prompt dose calculations for the National Ingition Facility

    SciTech Connect (OSTI)

    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.

  3. Calculation of TMD Evolution for Transverse Single Spin Asymmetry Measurements

    SciTech Connect (OSTI)

    Mert Aybat, Ted Rogers, Alexey Prokudin

    2012-06-01

    In this letter, we show that it is necessary to include the full treatment of QCD evolution of Transverse Momentum Dependent parton densities to explain discrepancies between HERMES data and recent COMPASS data on a proton target for the Sivers transverse single spin asymmetry in Semi-Inclusive Deep Inelastic Scattering (SIDIS). Calculations based on existing fits to TMDs in SIDIS, and including evolution within the Collins-Soper-Sterman with properly defined TMD PDFs are shown to provide a good explanation for the discrepancy. The non-perturbative input needed for the implementation of evolution is taken from earlier analyses of unpolarized Drell-Yan (DY) scattering at high energy. Its success in describing the Sivers function in SIDIS data at much lower energies is strong evidence in support of the unifying aspect of the QCD TMD-factorization formalism.

  4. SU-E-I-28: Evaluating the Organ Dose From Computed Tomography Using Monte Carlo Calculations

    SciTech Connect (OSTI)

    Ono, T; Araki, F

    2014-06-01

    Purpose: To evaluate organ doses from computed tomography (CT) using Monte Carlo (MC) calculations. Methods: A Philips Brilliance CT scanner (64 slice) was simulated using the GMctdospp (IMPS, Germany) based on the EGSnrc user code. The X-ray spectra and a bowtie filter for MC simulations were determined to coincide with measurements of half-value layer (HVL) and off-center ratio (OCR) profile in air. The MC dose was calibrated from absorbed dose measurements using a Farmer chamber and a cylindrical water phantom. The dose distribution from CT was calculated using patient CT images and organ doses were evaluated from dose volume histograms. Results: The HVLs of Al at 80, 100, and 120 kV were 6.3, 7.7, and 8.7 mm, respectively. The calculated HVLs agreed with measurements within 0.3%. The calculated and measured OCR profiles agreed within 3%. For adult head scans (CTDIvol) =51.4 mGy), mean doses for brain stem, eye, and eye lens were 23.2, 34.2, and 37.6 mGy, respectively. For pediatric head scans (CTDIvol =35.6 mGy), mean doses for brain stem, eye, and eye lens were 19.3, 24.5, and 26.8 mGy, respectively. For adult chest scans (CTDIvol=19.0 mGy), mean doses for lung, heart, and spinal cord were 21.1, 22.0, and 15.5 mGy, respectively. For adult abdominal scans (CTDIvol=14.4 mGy), the mean doses for kidney, liver, pancreas, spleen, and spinal cord were 17.4, 16.5, 16.8, 16.8, and 13.1 mGy, respectively. For pediatric abdominal scans (CTDIvol=6.76 mGy), mean doses for kidney, liver, pancreas, spleen, and spinal cord were 8.24, 8.90, 8.17, 8.31, and 6.73 mGy, respectively. In head scan, organ doses were considerably different from CTDIvol values. Conclusion: MC dose distributions calculated by using patient CT images are useful to evaluate organ doses absorbed to individual patients.

  5. First principle calculations of effective exchange integrals: Comparison between SR (BS) and MR computational results

    SciTech Connect (OSTI)

    Yamaguchi, Kizashi; Nishihara, Satomichi; Saito, Toru; Yamanaka, Shusuke; Kitagawa, Yasutaka; Kawakami, Takashi; Yamada, Satoru; Isobe, Hiroshi; Okumura, Mitsutaka

    2015-01-22

    First principle calculations of effective exchange integrals (J) in the Heisenberg model for diradical species were performed by both symmetry-adapted (SA) multi-reference (MR) and broken-symmetry (BS) single reference (SR) methods. Mukherjee-type (Mk) state specific (SS) MR coupled-cluster (CC) calculations by the use of natural orbital (NO) references of ROHF, UHF, UDFT and CASSCF solutions were carried out to elucidate J values for di- and poly-radical species. Spin-unrestricted Hartree Fock (UHF) based coupled-cluster (CC) computations were also performed to these species. Comparison between UHF-NO(UNO)-MkMRCC and BS UHF-CC computational results indicated that spin-contamination of UHF-CC solutions still remains at the SD level. In order to eliminate the spin contamination, approximate spin-projection (AP) scheme was applied for UCC, and the AP procedure indeed corrected the error to yield good agreement with MkMRCC in energy. The CC double with spin-unrestricted Brueckner's orbital (UBD) was furthermore employed for these species, showing that spin-contamination involved in UHF solutions is largely suppressed, and therefore AP scheme for UBCCD removed easily the rest of spin-contamination. We also performed spin-unrestricted pure- and hybrid-density functional theory (UDFT) calculations of diradical and polyradical species. Three different computational schemes for total spin angular momentums were examined for the AP correction of the hybrid (H) UDFT. HUDFT calculations followed by AP, HUDFT(AP), yielded the S-T gaps that were qualitatively in good agreement with those of MkMRCCSD, UHF-CC(AP) and UB-CC(AP). Thus a systematic comparison among MkMRCCSD, UCC(AP) UBD(AP) and UDFT(AP) was performed concerning with the first principle calculations of J values in di- and poly-radical species. It was found that BS (AP) methods reproduce MkMRCCSD results, indicating their applicability to large exchange coupled systems.

  6. Beryllium Wipe Sampling (differing methods - differing exposure potentials)

    SciTech Connect (OSTI)

    Kerr, Kent

    2005-03-09

    This research compared three wipe sampling techniques currently used to test for beryllium contamination on room and equipment surfaces in Department of Energy facilities. Efficiencies of removal of beryllium contamination from typical painted surfaces were tested by wipe sampling without a wetting agent, with water-moistened wipe materials, and by methanol-moistened wipes. Analysis indicated that methanol-moistened wipe sampling removed about twice as much beryllium/oil-film surface contamination as water-moistened wipes, which removed about twice as much residue as dry wipes. Criteria at 10 CFR 850.30 and .31 were established on unspecified wipe sampling method(s). The results of this study reveal a need to identify criteria-setting method and equivalency factors. As facilities change wipe sampling methods among the three compared in this study, these results may be useful for approximate correlations. Accurate decontamination decision-making depends on the selection of appropriate wetting agents for the types of residues and surfaces. Evidence for beryllium sensitization via skin exposure argues in favor of wipe sampling with wetting agents that provide enhanced removal efficiency such as methanol when surface contamination includes oil mist residue.

  7. Criticality calculations with MCNP{trademark}: A primer

    SciTech Connect (OSTI)

    Harmon, C.D. II; Busch, R.D.; Briesmeister, J.F.; Forster, R.A.

    1994-06-06

    With the closure of many experimental facilities, the nuclear criticality safety analyst increasingly is required to rely on computer calculations to identify safe limits for the handling and storage of fissile materials. However, in many cases, the analyst has little experience with the specific codes available at his/her facility. This primer will help you, the analyst, understand and use the MCNP Monte Carlo code for nuclear criticality safety analyses. It assumes that you have a college education in a technical field. There is no assumption of familiarity with Monte Carlo codes in general or with MCNP in particular. Appendix A gives an introduction to Monte Carlo techniques. The primer is designed to teach by example, with each example illustrating two or three features of MCNP that are useful in criticality analyses. Beginning with a Quickstart chapter, the primer gives an overview of the basic requirements for MCNP input and allows you to run a simple criticality problem with MCNP. This chapter is not designed to explain either the input or the MCNP options in detail; but rather it introduces basic concepts that are further explained in following chapters. Each chapter begins with a list of basic objectives that identify the goal of the chapter, and a list of the individual MCNP features that are covered in detail in the unique chapter example problems. It is expected that on completion of the primer you will be comfortable using MCNP in criticality calculations and will be capable of handling 80 to 90 percent of the situations that normally arise in a facility. The primer provides a set of basic input files that you can selectively modify to fit the particular problem at hand.

  8. LOFTRAN/RETRAN comparison calculations for a postulated loss-of-feedwater ATWS in the Sizewell 'B' PWR

    SciTech Connect (OSTI)

    Papez, K.L.; Risher, D.H.

    1983-05-01

    The loss-of-main-feedwater transient without reactor trip (scram) has received particular attention in pressurized water reactor (PWR) anticipated transient without scram (ATWS) analysis primarily due to the potential for reactor coolant system over pressurization. To assist in the licensing of the U.K. PWR, Sizewell 'B', comparative calculations of a loss-of-feedwater ATWS have been performed using the Westinghouse-developed LOFTRAN loop analysis code and the Electric Power Research Institute/ Energy Incorporated-developed RETRAN-01 code. The calculations were performed with and without the emergency boration system (EBS), which is included in the Sizewell reference design. Initial results showed good agreement between the codes for the major features of the transient, but also a time shift in the transient profiles at the time of the pressurizer pressure peak. This was found to be due to differences in the steam generator modeling, which resulted in a difference in the onset of the very rapid degradation in heat transfer as the steam generators approach dryout. When the same model was used in both codes, very good agreement was obtained. Remaining differences in the results are attributed primarily to differences in the boron injection models, which resulted in an over-prediction of the core boron concentration in the RETRAN calculation. The results with an EBS indicate that the peak pressurizer pressure is relatively insensitive to variations in modeling.

  9. In-Depth Analysis of Simulation Engine Codes for Comparison with DOE s Roof Savings Calculator and Measured Data

    SciTech Connect (OSTI)

    New, Joshua Ryan; Levinson, Ronnen; Huang, Yu; Sanyal, Jibonananda; Miller, William A.; Mellot, Joe; Childs, Kenneth W.; Kriner, Scott

    2014-06-01

    The Roof Savings Calculator (RSC) was developed through collaborations among Oak Ridge National Laboratory (ORNL), White Box Technologies, Lawrence Berkeley National Laboratory (LBNL), and the Environmental Protection Agency in the context of a California Energy Commission Public Interest Energy Research project to make cool-color roofing materials a market reality. The RSC website and a simulation engine validated against demonstration homes were developed to replace the liberal DOE Cool Roof Calculator and the conservative EPA Energy Star Roofing Calculator, which reported different roof savings estimates. A preliminary analysis arrived at a tentative explanation for why RSC results differed from previous LBNL studies and provided guidance for future analysis in the comparison of four simulation programs (doe2attic, DOE-2.1E, EnergyPlus, and MicroPas), including heat exchange between the attic surfaces (principally the roof and ceiling) and the resulting heat flows through the ceiling to the building below. The results were consolidated in an ORNL technical report, ORNL/TM-2013/501. This report is an in-depth inter-comparison of four programs with detailed measured data from an experimental facility operated by ORNL in South Carolina in which different segments of the attic had different roof and attic systems.

  10. Monte Carlo calculations of electron beam quality conversion factors for several ion chamber types

    SciTech Connect (OSTI)

    Muir, B. R.; Rogers, D. W. O.

    2014-11-01

    Purpose: To provide a comprehensive investigation of electron beam reference dosimetry using Monte Carlo simulations of the response of 10 plane-parallel and 18 cylindrical ion chamber types. Specific emphasis is placed on the determination of the optimal shift of the chambers effective point of measurement (EPOM) and beam quality conversion factors. Methods: The EGSnrc system is used for calculations of the absorbed dose to gas in ion chamber models and the absorbed dose to water as a function of depth in a water phantom on which cobalt-60 and several electron beam source models are incident. The optimal EPOM shifts of the ion chambers are determined by comparing calculations of R{sub 50} converted from I{sub 50} (calculated using ion chamber simulations in phantom) to R{sub 50} calculated using simulations of the absorbed dose to water vs depth in water. Beam quality conversion factors are determined as the calculated ratio of the absorbed dose to water to the absorbed dose to air in the ion chamber at the reference depth in a cobalt-60 beam to that in electron beams. Results: For most plane-parallel chambers, the optimal EPOM shift is inside of the active cavity but different from the shift determined with water-equivalent scaling of the front window of the chamber. These optimal shifts for plane-parallel chambers also reduce the scatter of beam quality conversion factors, k{sub Q}, as a function of R{sub 50}. The optimal shift of cylindrical chambers is found to be less than the 0.5 r{sub cav} recommended by current dosimetry protocols. In most cases, the values of the optimal shift are close to 0.3 r{sub cav}. Values of k{sub ecal} are calculated and compared to those from the TG-51 protocol and differences are explained using accurate individual correction factors for a subset of ion chambers investigated. High-precision fits to beam quality conversion factors normalized to unity in a beam with R{sub 50} = 7.5 cm (k{sub Q}{sup ?}) are provided. These factors avoid the use of gradient correction factors as used in the TG-51 protocol although a chamber dependent optimal shift in the EPOM is required when using plane-parallel chambers while no shift is needed with cylindrical chambers. The sensitivity of these results to parameters used to model the ion chambers is discussed and the uncertainty related to the practical use of these results is evaluated. Conclusions: These results will prove useful as electron beam reference dosimetry protocols are being updated. The analysis of this work indicates that cylindrical ion chambers may be appropriate for use in low-energy electron beams but measurements are required to characterize their use in these beams.

  11. Density Functional Theory Calculations of Mass Transport in UO2

    SciTech Connect (OSTI)

    Andersson, Anders D.; Dorado, Boris; Uberuaga, Blas P.; Stanek, Christopher R.

    2012-06-26

    In this talk we present results of density functional theory (DFT) calculations of U, O and fission gas diffusion in UO{sub 2}. These processes all impact nuclear fuel performance. For example, the formation and retention of fission gas bubbles induce fuel swelling, which leads to mechanical interaction with the clad thereby increasing the probability for clad breach. Alternatively, fission gas can be released from the fuel to the plenum, which increases the pressure on the clad walls and decreases the gap thermal conductivity. The evolution of fuel microstructure features is strongly coupled to diffusion of U vacancies. Since both U and fission gas transport rates vary strongly with the O stoichiometry, it is also important to understand O diffusion. In order to better understand bulk Xe behavior in UO{sub 2{+-}x} we first calculate the relevant activation energies using DFT techniques. By analyzing a combination of Xe solution thermodynamics, migration barriers and the interaction of dissolved Xe atoms with U, we demonstrate that Xe diffusion predominantly occurs via a vacancy-mediated mechanism. Since Xe transport is closely related to diffusion of U vacancies, we have also studied the activation energy for this process. In order to explain the low value of 2.4 eV found for U migration from independent damage experiments (not thermal equilibrium) the presence of vacancy clusters must be included in the analysis. Next we investigate species transport on the (111) UO{sub 2} surface, which is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation. Surface diffusion could be the rate-limiting step for diffusion of such bubbles, which is an alternative mechanism for mass transport in these materials. As expected, the activation energy for surface diffusion is significantly lower than for bulk transport. These results are further discussed in terms of engineering-scale fission gas release models. Finally, oxidation of UO{sub 2} and the importance of cluster formation for understanding thermodynamic and kinetic properties of UO{sub 2+x} are investigated.

  12. The effects of digital elevation model resolution on the calculation and predictions of topographic wetness indices.

    SciTech Connect (OSTI)

    Drover, Damion, Ryan

    2011-12-01

    One of the largest exports in the Southeast U.S. is forest products. Interest in biofuels using forest biomass has increased recently, leading to more research into better forest management BMPs. The USDA Forest Service, along with the Oak Ridge National Laboratory, University of Georgia and Oregon State University are researching the impacts of intensive forest management for biofuels on water quality and quantity at the Savannah River Site in South Carolina. Surface runoff of saturated areas, transporting excess nutrients and contaminants, is a potential water quality issue under investigation. Detailed maps of variable source areas and soil characteristics would therefore be helpful prior to treatment. The availability of remotely sensed and computed digital elevation models (DEMs) and spatial analysis tools make it easy to calculate terrain attributes. These terrain attributes can be used in models to predict saturated areas or other attributes in the landscape. With laser altimetry, an area can be flown to produce very high resolution data, and the resulting data can be resampled into any resolution of DEM desired. Additionally, there exist many maps that are in various resolutions of DEM, such as those acquired from the U.S. Geological Survey. Problems arise when using maps derived from different resolution DEMs. For example, saturated areas can be under or overestimated depending on the resolution used. The purpose of this study was to examine the effects of DEM resolution on the calculation of topographic wetness indices used to predict variable source areas of saturation, and to find the best resolutions to produce prediction maps of soil attributes like nitrogen, carbon, bulk density and soil texture for low-relief, humid-temperate forested hillslopes. Topographic wetness indices were calculated based on the derived terrain attributes, slope and specific catchment area, from five different DEM resolutions. The DEMs were resampled from LiDAR, which is a laser altimetry remote sensing method, obtained from the USDA Forest Service at Savannah River Site. The specific DEM resolutions were chosen because they are common grid cell sizes (10m, 30m, and 50m) used in mapping for management applications and in research. The finer resolutions (2m and 5m) were chosen for the purpose of determining how finer resolutions performed compared with coarser resolutions at predicting wetness and related soil attributes. The wetness indices were compared across DEMs and with each other in terms of quantile and distribution differences, then in terms of how well they each correlated with measured soil attributes. Spatial and non-spatial analyses were performed, and predictions using regression and geostatistics were examined for efficacy relative to each DEM resolution. Trends in the raw data and analysis results were also revealed.

  13. A new endwall model for axial compressor throughflow calculations

    SciTech Connect (OSTI)

    Dunham, J.

    1995-10-01

    It is well recognized that the endwall regions of a compressor--in which the annulus wall flow interacts with the mainstream flow--have a major influence on its efficiency and surge margin. Despite many attempts over the years to predict the very complex flow patterns in the endwall regions, current compressor design methods still rely largely on empirical estimates of the aerodynamic losses and flow angle deviations in these regions. This paper describes a new phenomenological model of the key endwall flow phenomena treated in a circumferentially averaged way. It starts from Hirsch and de Ruyck`s annulus wall boundary layer approach, but makes some important changes. The secondary vorticities arising from passage secondary flows and from tip clearance flows are calculated. Then the radial interchanges of momentum, energy, and entropy arising from both diffusion and convection are estimated. The model is incorporated into a streamline curvature program. The empirical blade force defect terms in the boundary layers are selected from cascade data. The effectiveness of the method is illustrated by comparing the predictions with experimental results on both low-speed and high-speed multistage compressors. It is found that the radial variation of flow parameters is quite well predicted, and so is the overall performance, except when significant endwall stall occurs.

  14. Calculation of Reactive-evaporation Rates of Chromia

    SciTech Connect (OSTI)

    Holcomb, G.R.

    2008-04-01

    A methodology is developed to calculate Cr-evaporation rates from Cr2O3 with a flat planar geometry. Variables include temperature, total pressure, gas velocity, and gas composition. The methodology was applied to solid-oxide, fuel cell conditions for metallic interconnects and to advanced-steam turbines conditions. The high velocities and pressures of the advanced steam turbine led to evaporation predictions as high as 5.18 9 10-8 kg/m2/s of CrO2(OH)2(g) at 760 °C and 34.5 MPa. This is equivalent to 0.080 mm per year of solid Cr loss. Chromium evaporation is expected to be an important oxidation mechanism with the types of nickel-base alloys proposed for use above 650 °C in advanced-steam boilers and turbines. It is shown that laboratory experiments, with much lower steam velocities and usually much lower total pressure than found in advanced steam turbines, would best reproduce chromium-evaporation behavior with atmospheres that approach either O2 + H2O or air + H2O with 57% H2O.

  15. Calculating the probability of injected carbon dioxide plumes encountering faults

    SciTech Connect (OSTI)

    Jordan, P.D.

    2011-04-01

    One of the main concerns of storage in saline aquifers is leakage via faults. In the early stages of site selection, site-specific fault coverages are often not available for these aquifers. This necessitates a method using available fault data to estimate the probability of injected carbon dioxide encountering and migrating up a fault. The probability of encounter can be calculated from areal fault density statistics from available data, and carbon dioxide plume dimensions from numerical simulation. Given a number of assumptions, the dimension of the plume perpendicular to a fault times the areal density of faults with offsets greater than some threshold of interest provides probability of the plume encountering such a fault. Application of this result to a previously planned large-scale pilot injection in the southern portion of the San Joaquin Basin yielded a 3% and 7% chance of the plume encountering a fully and half seal offsetting fault, respectively. Subsequently available data indicated a half seal-offsetting fault at a distance from the injection well that implied a 20% probability of encounter for a plume sufficiently large to reach it.

  16. Dose Rate Calculation of TRU Metal Ingot in Pyroprocessing - 12202

    SciTech Connect (OSTI)

    Lee, Yoon Hee; Lee, Kunjai

    2012-07-01

    Spent fuel management has been a main problem to be solved for continuous utilization of nuclear energy. Spent fuel management policy of Korea is 'Wait and See'. It is focused on Pyro-process and SFR (Sodium-cooled Fast Reactor) for closed-fuel cycle research and development in Korea. For peaceful use of nuclear facilities, the proliferation resistance has to be proved. Proliferation resistance is one of key constraints in the deployment of advanced nuclear energy systems. Non-proliferation and safeguard issues have been strengthening internationally. Barriers to proliferation are that reduces desirability or attractiveness as an explosive and makes it difficult to gain access to the materials, or makes it difficult to misuse facilities and/or technologies for weapons applications. Barriers to proliferation are classified into intrinsic and extrinsic barriers. Intrinsic barrier is inherent quality of reactor materials or the fuel cycle that is built into the reactor design and operation such as material and technical barriers. As one of the intrinsic measures, the radiation from the material is considered significantly. Therefore the radiation of TRU metal ingot from the pyro-process was calculated using ORIGEN and MCNP code. (authors)

  17. Dose Calculation Evolution for Internal Organ Irradiation in Humans

    SciTech Connect (OSTI)

    Jimenez V, Reina A.

    2007-10-26

    The International Commission of Radiation Units (ICRU) has established through the years, a discrimination system regarding the security levels on the prescription and administration of doses in radiation treatments (Radiotherapy, Brach therapy, Nuclear Medicine). The first level is concerned with the prescription and posterior assurance of dose administration to a point of interest (POI), commonly located at the geometrical center of the region to be treated. In this, the effects of radiation around that POI, is not a priority. The second level refers to the dose specifications in a particular plane inside the patient, mostly the middle plane of the lesion. The dose is calculated to all the structures in that plane regardless if they are tumor or healthy tissue. In this case, the dose is not represented by a point value, but by level curves called 'isodoses' as in a topographic map, so you can assure the level of doses to this particular plane, but it also leave with no information about how this values go thru adjacent planes. This is why the third level is referred to the volumetrical description of doses so these isodoses construct now a volume (named 'cloud') that give us better assurance about tissue irradiation around the volume of the lesion and its margin (sub clinical spread or microscopic illness). This work shows how this evolution has resulted, not only in healthy tissue protection improvement but in a rise of tumor control, quality of life, better treatment tolerance and minimum permanent secuelae.

  18. WIPP Compliance Certification Application calculations parameters. Part 2: Parameter documentation

    SciTech Connect (OSTI)

    Howarth, S.M.

    1997-11-14

    The Waste Isolation Pilot Plant (WIPP) in southeast New Mexico has been studied as a transuranic waste repository for the past 23 years. During this time, an extensive site characterization, design, construction, and experimental program was completed, which provided in depth understanding of the dominant processes that are most likely to influence the containment of radionuclides for 10,000 years. Nearly 1,500 parameters were developed using information gathered from this program and were input to numerical models for WIPP Compliance Certification Application (CCA) Performance Assessment (PA) calculations. The CCA probability models require input parameters that are defined by a statistical distribution. Developing parameters begins with the assignment of an appropriate distribution type, which is dependent on the type, magnitude, and volume of data or information available. Parameter development may require interpretation or statistical analysis of raw data, combining raw data with literature values, scaling laboratory or field data to fit code grid mesh sizes, or other transformations. Documentation of parameter development is designed to answer two questions: What source information was used to develop this parameter? and Why was this particular data set/information used? Therefore, complete documentation requires integrating information from code sponsors, parameter task leaders, performance assessment analysts, and experimental principal investigators. This paper, Part 2 of 2 parts, contains a discussion of the WIPP CCA PA Parameter Tracking System, document traceability and retrievability, and lessons learned from related audits and reviews.

  19. SU-E-J-19: Accuracy of Dual-Energy CT-Derived Relative Electron Density for Proton Therapy Dose Calculation

    SciTech Connect (OSTI)

    Mullins, J; Duan, X; Kruse, J; Herman, M; Bues, M

    2014-06-01

    Purpose: To determine the suitability of dual-energy CT (DECT) to calculate relative electron density (RED) of tissues for accurate proton therapy dose calculation. Methods: DECT images of RED tissue surrogates were acquired at 80 and 140 kVp. Samples (RED=0.19?2.41) were imaged in a water-equivalent phantom in a variety of configurations. REDs were calculated using the DECT numbers and inputs of the high and low energy spectral weightings. DECT-derived RED was compared between geometric configurations and for variations in the spectral inputs to assess the sensitivity of RED accuracy versus expected values. Results: RED accuracy was dependent on accurate spectral input influenced by phantom thickness and radius from the phantom center. Material samples located at the center of the phantom generally showed the best agreement to reference RED values, but only when attenuation of the surrounding phantom thickness was accounted for in the calculation spectra. Calculated RED changed by up to 10% for some materials when the sample was located at an 11 cm radius from the phantom center. Calculated REDs under the best conditions still differed from reference values by up to 5% in bone and 14% in lung. Conclusion: DECT has previously been used to differentiate tissue types based on RED and Z for binary tissue-type segmentation. To improve upon the current standard of empirical conversion of CT number to RED for treatment planning dose calculation, DECT methods must be able to calculate RED to better than 3% accuracy throughout the image. The DECT method is sensitive to the accuracy of spectral inputs used for calculation, as well as to spatial position in the anatomy. Effort to address adjustments to the spectral calculation inputs based on position and phantom attenuation will be required before DECT-determined RED can achieve a consistent level of accuracy for application in dose calculation.

  20. Monte Carlo calculations for reference dosimetry of electron beams with the PTW Roos and NE2571 ion chambers

    SciTech Connect (OSTI)

    Muir, B. R. Rogers, D. W. O.

    2013-12-15

    Purpose: To investigate recommendations for reference dosimetry of electron beams and gradient effects for the NE2571 chamber and to provide beam quality conversion factors using Monte Carlo simulations of the PTW Roos and NE2571 ion chambers. Methods: The EGSnrc code system is used to calculate the absorbed dose-to-water and the dose to the gas in fully modeled ion chambers as a function of depth in water. Electron beams are modeled using realistic accelerator simulations as well as beams modeled as collimated point sources from realistic electron beam spectra or monoenergetic electrons. Beam quality conversion factors are calculated with ratios of the doses to water and to the air in the ion chamber in electron beams and a cobalt-60 reference field. The overall ion chamber correction factor is studied using calculations of water-to-air stopping power ratios. Results: The use of an effective point of measurement shift of 1.55 mm from the front face of the PTW Roos chamber, which places the point of measurement inside the chamber cavity, minimizes the difference betweenR{sub 50}, the beam quality specifier, calculated from chamber simulations compared to that obtained using depth-dose calculations in water. A similar shift minimizes the variation of the overall ion chamber correction factor with depth to the practical range and reduces the root-mean-square deviation of a fit to calculated beam quality conversion factors at the reference depth as a function of R{sub 50}. Similarly, an upstream shift of 0.34 r{sub cav} allows a more accurate determination of R{sub 50} from NE2571 chamber calculations and reduces the variation of the overall ion chamber correction factor with depth. The determination of the gradient correction using a shift of 0.22 r{sub cav} optimizes the root-mean-square deviation of a fit to calculated beam quality conversion factors if all beams investigated are considered. However, if only clinical beams are considered, a good fit to results for beam quality conversion factors is obtained without explicitly correcting for gradient effects. The inadequacy of R{sub 50} to uniquely specify beam quality for the accurate selection of k{sub Q} factors is discussed. Systematic uncertainties in beam quality conversion factors are analyzed for the NE2571 chamber and amount to between 0.4% and 1.2% depending on assumptions used. Conclusions: The calculated beam quality conversion factors for the PTW Roos chamber obtained here are in good agreement with literature data. These results characterize the use of an NE2571 ion chamber for reference dosimetry of electron beams even in low-energy beams.

  1. Weather data for simplified energy calculation methods. Volume I. Eastern United States: TRY data

    SciTech Connect (OSTI)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 23 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  2. Weather data for simplified energy calculation methods. Volume III. Western United States: TRY data

    SciTech Connect (OSTI)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 24 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  3. Weather data for simplified energy calculation methods. Volume II. Middle United States: TRY data

    SciTech Connect (OSTI)

    Olsen, A.R.; Moreno, S.; Deringer, J.; Watson, C.R.

    1984-08-01

    The objective of this report is to provide a source of weather data for direct use with a number of simplified energy calculation methods available today. Complete weather data for a number of cities in the United States are provided for use in the following methods: degree hour, modified degree hour, bin, modified bin, and variable degree day. This report contains sets of weather data for 22 cities in the continental United States using Test Reference Year (TRY) source weather data. The weather data at each city has been summarized in a number of ways to provide differing levels of detail necessary for alternative simplified energy calculation methods. Weather variables summarized include dry bulb and wet bulb temperature, percent relative humidity, humidity ratio, wind speed, percent possible sunshine, percent diffuse solar radiation, total solar radiation on horizontal and vertical surfaces, and solar heat gain through standard DSA glass. Monthly and annual summaries, in some cases by time of day, are available. These summaries are produced in a series of nine computer generated tables.

  4. Sex-specific tissue weighting factors for effective dose equivalent calculations

    SciTech Connect (OSTI)

    Xu, X.G. [Rensselaer Polytechnic Inst., Troy, NY (United States); Reece, W.D. [Texas A& M Univ., College Station, TX (United States)

    1996-01-01

    The effective dose equivalent was defined in the International Commission on Radiological Protection Publication 26 in 1977 and later adopted by the U.S. Nuclear REgulatory Commission. To calculate organ doses and effective dose equivalent for external exposures using Monte Carlo simulations, sex-specific anthropomorphic phantoms and sex-specific weighting factors are always employed. This paper presents detailed mathematical derivation of a set of sex-specific tissue weighting factors and the conditions which the weighting factors must satisfy. Results of effective dose equivalent calculations using female and male phantoms exposed to monoenergetic photon beams of 0.08, 0.3, and 1.0 MeV are provided and compared with results published by other authors using different sex-specific weighting factors and phantoms. The results indicate that females always receive higher effective dose equivalent than males for the photon energies and geometries considered and that some published data may be wrong due to mistakes in deriving the sex-specific weighting factors. 17 refs., 2 figs., 2 tabs.

  5. TU-F-18A-03: Improving Tissue Segmentation for Monte Carlo Dose Calculation Using DECT Data

    SciTech Connect (OSTI)

    Di, Salvio A; Bedwani, S; Carrier, J

    2014-06-15

    Purpose: To develop a new segmentation technique using dual energy CT (DECT) to overcome limitations related to segmentation from a standard Hounsfield unit (HU) to electron density (ED) calibration curve. Both methods are compared with a Monte Carlo analysis of dose distribution. Methods: DECT allows a direct calculation of both ED and effective atomic number (EAN) within a given voxel. The EAN is here defined as a function of the total electron cross-section of a medium. These values can be effectively acquired using a calibrated method from scans at two different energies. A prior stoichiometric calibration on a Gammex RMI phantom allows us to find the parameters to calculate EAN and ED within a voxel. Scans from a Siemens SOMATOM Definition Flash dual source system provided the data for our study. A Monte Carlo analysis compares dose distribution simulated by dosxyz-nrc, considering a head phantom defined by both segmentation techniques. Results: Results from depth dose and dose profile calculations show that materials with different atomic compositions but similar EAN present differences of less than 1%. Therefore, it is possible to define a short list of basis materials from which density can be adapted to imitate interaction behavior of any tissue. Comparison of the dose distributions on both segmentations shows a difference of 50% in dose in areas surrounding bone at low energy. Conclusion: The presented segmentation technique allows a more accurate medium definition in each voxel, especially in areas of tissue transition. Since the behavior of human tissues is highly sensitive at low energies, this reduces the errors on calculated dose distribution. This method could be further developed to optimize the tissue characterization based on anatomic site.

  6. Differing Professional Opinions (DPO) Process

    Broader source: Energy.gov [DOE]

    This Order establishes the Department of Energy (DOE) Differing Professional Opinion (DPO) process for employees to raise technical concerns related to environment, safety, and health (ES&H) which cannot be resolved using routine processes. DOE O 442.2

  7. SCWR Once-Through Calculations for Transmutation and Cross Sections

    SciTech Connect (OSTI)

    ganda, francesco

    2012-07-01

    It is the purpose of this report to document the calculation of (1) the isotopic evolution and of (2) the 1-group cross sections as a function of burnup of the reference Super Critical Water Reactor (SCWR), in a format suitable for the Fuel Cycle Option Campaign Transmutation Data Library. The reference SCWR design was chosen to be that described in [McDonald, 2005]. Super Critical Water Reactors (SCWR) are intended to operate with super-critical water (i.e. H2O at a pressure above 22 MPa and a temperature above 373oC) as a cooling – and possibly also moderating – fluid. The main mission of the SCWR is to generate lower cost electricity, as compared to current standard Light Water Reactors (LWR). Because of the high operating pressure and temperature, SCWR feature a substantially higher thermal conversion efficiency than standard LWR – i.e. about 45% versus 33%, mostly due to an increase in the exit water temperature from ~300oC to ~500oC – potentially resulting in a lower cost of generated electricity. The coolant remains single phase throughout the reactor and the energy conversion system, thus eliminating the need for pressurizers, steam generators, steam separators and dryers, further potentially reducing the reactor construction capital cost. The SCWR concept presented here is based on existing LWR technology and on a large number of existing fossil-fired supercritical boilers. However, it was concluded in [McDonald, 2005], that: “Based on the results of this study, it appears that the reference SCWR design is not feasible.” This conclusion appears based on the strong sensitivity of the design to small deviations in nominal conditions leading to small effects having a potentially large impact on the peak cladding temperature of some fuel rods. “This was considered a major feasibility issue for the SCWR” [McDonald, 2005]. After a description of the reference SCWR design, the Keno V 3-D single assembly model used for this analysis, as well as the calculated results, are presented. Additionally, the follwing information, presented in the appendixes, is intended to provide enough guidance that a researcher repeating the same task in the future should be able to obtain a vector of nuclei and cross sections ready for insertion into the transmutation library without any need for further instructions: (1) Complete TRITON/KENO-V input used for the analysis; (2) Inputs and detailed description of the usage of the OPUS utility, used to postproces and to extract the nuclei concentrations for the transmutation library; (3) Inputs and detailed description of the usage of the XSECLIST utility, used to postproces and to extract the 1-group cross sections for the transmutation library; (4) Details of an ad-hoc utility program developed to sort the nuclei and cross sections for the transmutation library.

  8. Electron-density comparisons between radar observations and 3-D ionospheric model calculations. Master's thesis

    SciTech Connect (OSTI)

    Johnson, M.W.

    1990-01-01

    A comparison of electron densities calculated from the Utah State University First-Principals Ionospheric Model with simultaneous observations taken at Sondrestrom, Millstone, and Arecibo incoherent-scatter radars was undertaken to better understanding the response of the ionosphere at these longitudinally similar yet latitudinally separated locations. The comparison included over 50 days distributed over 3 1/2 years roughly symmetrical about the last solar-minimum in 1986. The overall trend of the comparison was that to first-order the model reproduces electron densities responding to diurnal, seasonal, geomagnetic, and solar-cycle variations for all three radars. However, some model-observation discrepancies were found. These include, failure of the model to correctly produce an evening peak at Millstone, fall-spring equinox differences at Sondrestrom, tidal structure at Arecibo, and daytime NmF2 values at Arecibo.

  9. Simulated combined abnormal environment fire calculations for aviation impacts.

    SciTech Connect (OSTI)

    Brown, Alexander L.

    2010-08-01

    Aircraft impacts at flight speeds are relevant environments for aircraft safety studies. This type of environment pertains to normal environments such as wildlife impacts and rough landings, but also the abnormal environment that has more recently been evidenced in cases such as the Pentagon and World Trade Center events of September 11, 2001, and the FBI building impact in Austin. For more severe impacts, the environment is combined because it involves not just the structural mechanics, but also the release of the fuel and the subsequent fire. Impacts normally last on the order of milliseconds to seconds, whereas the fire dynamics may last for minutes to hours, or longer. This presents a serious challenge for physical models that employ discrete time stepping to model the dynamics with accuracy. Another challenge is that the capabilities to model the fire and structural impact are seldom found in a common simulation tool. Sandia National Labs maintains two codes under a common architecture that have been used to model the dynamics of aircraft impact and fire scenarios. Only recently have these codes been coupled directly to provide a fire prediction that is better informed on the basis of a detailed structural calculation. To enable this technology, several facilitating models are necessary, as is a methodology for determining and executing the transfer of information from the structural code to the fire code. A methodology has been developed and implemented. Previous test programs at the Sandia National Labs sled track provide unique data for the dynamic response of an aluminum tank of liquid water impacting a barricade at flight speeds. These data are used to validate the modeling effort, and suggest reasonable accuracy for the dispersion of a non-combustible fluid in an impact environment. The capability is also demonstrated with a notional impact of a fuel-filled container at flight speed. Both of these scenarios are used to evaluate numeric approximations, and help provide an understanding of the quantitative accuracy of the modeling methods.

  10. HDRMC, an accelerated Monte Carlo dose calculator for high dose rate brachytherapy with CT-compatible applicators

    SciTech Connect (OSTI)

    Chibani, Omar C-M Ma, Charlie

    2014-05-15

    Purpose: To present a new accelerated Monte Carlo code for CT-based dose calculations in high dose rate (HDR) brachytherapy. The new code (HDRMC) accounts for both tissue and nontissue heterogeneities (applicator and contrast medium). Methods: HDRMC uses a fast ray-tracing technique and detailed physics algorithms to transport photons through a 3D mesh of voxels representing the patient anatomy with applicator and contrast medium included. A precalculated phase space file for the{sup 192}Ir source is used as source term. HDRM is calibrated to calculated absolute dose for real plans. A postprocessing technique is used to include the exact density and composition of nontissue heterogeneities in the 3D phantom. Dwell positions and angular orientations of the source are reconstructed using data from the treatment planning system (TPS). Structure contours are also imported from the TPS to recalculate dose-volume histograms. Results: HDRMC was first benchmarked against the MCNP5 code for a single source in homogenous water and for a loaded gynecologic applicator in water. The accuracy of the voxel-based applicator model used in HDRMC was also verified by comparing 3D dose distributions and dose-volume parameters obtained using 1-mm{sup 3} versus 2-mm{sup 3} phantom resolutions. HDRMC can calculate the 3D dose distribution for a typical HDR cervix case with 2-mm resolution in 5 min on a single CPU. Examples of heterogeneity effects for two clinical cases (cervix and esophagus) were demonstrated using HDRMC. The neglect of tissue heterogeneity for the esophageal case leads to the overestimate of CTV D90, CTV D100, and spinal cord maximum dose by 3.2%, 3.9%, and 3.6%, respectively. Conclusions: A fast Monte Carlo code for CT-based dose calculations which does not require a prebuilt applicator model is developed for those HDR brachytherapy treatments that use CT-compatible applicators. Tissue and nontissue heterogeneities should be taken into account in modern HDR brachytherapy planning.

  11. Kinetic calculations of explosives with slow-burning constituents

    SciTech Connect (OSTI)

    Howard, W.M.; Souers, P.C.; Pried, L.E.

    1997-07-01

    The equilibrium thermochemical code CHEETAH V 1.40 has been modified to detonate part of the explosive and binder. An Einstein thermal description of the unreacted constituents is used, and the Einstein temperature may be increased to reduce heat absorption. We study the effect of the reactivity and thermal transport on the detonation velocity. Hydroxy-terminated-polybutadiene binders have low energy and density and would degrade the detonation velocity if they burned. Runs with unburned binder are closer to the measured values. Aluminum and ammonium Perchlorate are also largely unburned within the sonic reaction zone that determines the detonation velocity. All three materials appear not to fully absorb heat as well. The normal assumption of total reaction in a thermochemical code is clearly not true for these special cases, where the detonation velocities have widely different values for different combinations of processes.

  12. NO Chemisorption on Cu/SSZ-13: a Comparative Study from Infrared Spectroscopy and DFT Calculations

    SciTech Connect (OSTI)

    Zhang, Renqin; McEwen, Jean-Sabin; Kollar, Marton; Gao, Feng; Wang, Yilin; Szanyi, Janos; Peden, Charles HF

    2014-11-07

    The locations and energies of Cu ions in a Cu/SSZ-13 zeolite catalyst were investigated by density functional theory (DFT) calculations. For 'naked' Cu2+ ions (i.e., Cu2+ ions with no ligands in their coordination spheres other than zeolite lattice oxygen atoms), the more energetically favorable sites are within a 6-membered ring. However, with the presence of various adsorbates, the energy difference between 6- and 8-membered ring locations greatly diminishes. Specifically, Cu2+ ions are substantially stabilized by -OH ligands (as [CuII(OH)]+), making the extra-framework sites in an 8-membered ring energetically more favorable than 6-membered ring sites. Under fully dehydrated high vacuum conditions with different Si/Al and Cu/Al ratios, three chemisorbed NO species coexist upon exposure of NO to Cu/SSZ-13: NO+, Cu2+-NO and Cu+-NO. The relative signal intensities for these bands vary greatly with Si/Al ratios. The vibrational frequency of chemisorbed NO was found to be very sensitive to the location of Cu2+ ions. On the one hand, with the aid from DFT calculations, the nature for these vibrations can be assigned in detail. On the other hand, the relative intensities for various Cu2+-NO species provide a good measure of the nature of Cu2+ ions as functions of Si/Al and Cu/Al ratios and the presence of humidity. These new findings cast doubt on the generally accepted proposal that only Cu2+ ions located in 6-membered rings are catalytically active for NH3-SCR.

  13. Verification Of Energy Balance In The Ansys V5.4 Thermal Calculations

    SciTech Connect (OSTI)

    H. Marr; M.J. Anderson

    2001-02-08

    The objective of this calculation is to verify the energy balance of the thermal calculations analyzed by ANSYS Version (V) 5.4 solver (see Section 4). The scope of this calculation is limited to calculating the energy balance of a two-dimensional repository thermal representation using the temperatures obtained from ANSYS V5.4. The procedure, AP-3.124, Calculations (Ref. 3), and the Technical Work Plan for: Waste Package Design Description for LA (Ref. 2) are used to develop this calculation. The associated activity is the development of engineering evaluations to support the Licensing Application design activities.

  14. Synthesis of gold nanoparticles with different atomistic structural characteristics

    SciTech Connect (OSTI)

    Esparza, R. . E-mail: roesparza@gmail.com; Rosas, G.; Lopez Fuentes, M.; Sanchez Ramirez, J.F.; Pal, U.; Ascencio, J.A.; Perez, R.

    2007-08-15

    A chemical reduction method was used to produce nanometric gold particles. Depending on the concentration of the main reactant compound different nanometric sizes and consequently different atomic structural configurations of the particles are obtained. Insights on the structural nature of the gold nanoparticles are obtained through a comparison between digitally-processed experimental high-resolution electron microscopy images and theoretically-simulated images obtained with a multislice approach of the dynamical theory of electron diffraction. Quantum molecular mechanical calculations, based on density functional theory, are carried out to explain the relationships between the stability of the gold nanoparticles, the atomic structural configurations and the size of nanoparticles.

  15. Precise Calculation of Traveling-Wave Periodic Structure

    SciTech Connect (OSTI)

    Wang, L.; Li, Z.; Seryi, A.; /SLAC

    2007-07-06

    The effects of the round edge beam hole on the frequency and wake field are studied using variational method, which allows for rounded iris disk hole without any approximation in shape treatment. The frequency and wake field of accelerating mode and dipole mode are studied for different edge radius cases, including the flat edge shape that is often used to approximately represent the actual structure geometry. The edge hole shape has weak effect on the frequency, but much effect on the wake field. Our study shows that the amounts of wake fields are not precise enough with the assumption of the flat edge beam hole instead of round edge.

  16. Comparison of MACCS users calculations for the international comparison exercise on probabilistic accident consequence assessment code, October 1989--June 1993

    SciTech Connect (OSTI)

    Neymotin, L.

    1994-04-01

    Over the past several years, the OECD/NEA and CEC sponsored an international program intercomparing a group of six probabilistic consequence assessment (PCA) codes designed to simulate health and economic consequences of radioactive releases into atmosphere of radioactive materials following severe accidents at nuclear power plants (NPPs): ARANO (Finland), CONDOR (UK), COSYMA (CEC), LENA (Sweden), MACCS (USA), and OSCAAR (Japan). In parallel with this effort, two separate groups performed similar calculations using the MACCS and COSYMA codes. Results produced in the MACCS Users Group (Greece, Italy, Spain, and USA) calculations and their comparison are contained in the present report. Version 1.5.11.1 of the MACCS code was used for the calculations. Good agreement between the results produced in the four participating calculations has been reached, with the exception of the results related to the ingestion pathway dose predictions. The main reason for the scatter in those particular results is attributed to the lack of a straightforward implementation of the specifications for agricultural production and counter-measures criteria provided for the exercise. A significantly smaller scatter in predictions of other consequences was successfully explained by differences in meteorological files and weather sampling, grids, rain distance intervals, dispersion model options, and population distributions.

  17. Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data

    SciTech Connect (OSTI)

    Mai, V. T.; Fujii, T.; Wada, K.; Kitada, T.; Takaki, N.; Yamaguchi, A.; Watanabe, H.; Unesaki, H.

    2012-07-01

    Considering the importance of thorium data and concerning about the accuracy of Th-232 cross section library, a series of experiments of thorium critical core carried out at KUCA facility of Kyoto Univ. Research Reactor Inst. have been analyzed. The core was composed of pure thorium plates and 93% enriched uranium plates, solid polyethylene moderator with hydro to U-235 ratio of 140 and Th-232 to U-235 ratio of 15.2. Calculations of the effective multiplication factor, control rod worth, reactivity worth of Th plates have been conducted by MVP code using JENDL-4.0 library [1]. At the experiment site, after achieving the critical state with 51 fuel rods inserted inside the reactor, the measurements of the reactivity worth of control rod and thorium sample are carried out. By comparing with the experimental data, the calculation overestimates the effective multiplication factor about 0.90%. Reactivity worth of the control rods evaluation using MVP is acceptable with the maximum discrepancy about the statistical error of the measured data. The calculated results agree to the measurement ones within the difference range of 3.1% for the reactivity worth of one Th plate. From this investigation, further experiments and research on Th-232 cross section library need to be conducted to provide more reliable data for thorium based fuel core design and safety calculation. (authors)

  18. Two Year Difference | Jefferson Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Two Year Difference Two Year Difference May 19, 2014 On May 19, 2012, we held an Open House; on Saturday, May 17, 2014, we held an Open House; it's a habit. And what a day we had on Saturday! The weather was perfect. The extent to which we are able to open the lab is a major surprise for many visitors. They arrive with the expectation that maybe we open one building with displays. Instead, they find themselves getting into the accelerator, the Central Helium Liquefier, and ALL the experimental

  19. SPECIAL ACQUISITION REQUIREMENTS ─ TYPICAL ISSUES ASSOCIATED...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... Then they must be appropriately mitigated, preferably by written communication from the contracting officer that includes the rationale for Federal involvement. An example of a ...

  20. New Calculator Helps You Buy the Energy-Saving Vehicle of Your...

    Office of Environmental Management (EM)

    Calculator Helps You Buy the Energy-Saving Vehicle of Your Dreams New Calculator Helps You ... to buy energy-efficient vehicles that save energy and money, protect the environment, ...

  1. Ab Initio Calculation of Nuclear Magnetic Resonance Chemical Shift Anisotropy Tensors 1. Influence of Basis Set on the Calculation of 31P Chemical Shifts

    SciTech Connect (OSTI)

    Alam, T.M.

    1998-09-01

    The influence of changes in the contracted Gaussian basis set used for ab initio calculations of nuclear magnetic resonance (NMR) phosphorous chemical shift anisotropy (CSA) tensors was investigated. The isotropic chemical shitl and chemical shift anisotropy were found to converge with increasing complexity of the basis set at the Hartree-Fock @IF) level. The addition of d polarization function on the phosphorous nucIei was found to have a major impact of the calculated chemical shi~ but diminished with increasing number of polarization fimctions. At least 2 d polarization fimctions are required for accurate calculations of the isotropic phosphorous chemical shift. The introduction of density fictional theory (DFT) techniques through tie use of hybrid B3LYP methods for the calculation of the phosphorous chemical shift tensor resulted in a poorer estimation of the NMR values, even though DFT techniques result in improved energy and force constant calculations. The convergence of the W parametem with increasing basis set complexity was also observed for the DFT calculations, but produced results with consistent large deviations from experiment. The use of a HF 6-31 l++G(242p) basis set represents a good compromise between accuracy of the simulation and the complexity of the calculation for future ab initio calculations of 31P NMR parameters in larger complexes.

  2. CESP Tool 4.1: Energy Data Calculation and Summary Tool | Department of

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy 1: Energy Data Calculation and Summary Tool CESP Tool 4.1: Energy Data Calculation and Summary Tool CESP Tool 4.1: Energy Data Calculation and Summary Tool from the Step 4: Assess the Current Energy Profile, Guide to Community Energy Strategic Planning. File CESP Tool 4.1: Energy Data Calculation and Summary Tool More Documents & Publications ESPC ENABLE Request for Quote/Notice of Opportunity Template Better Buildings Quarterly Program Report Reporting Guidance for Federal Agency

  3. Project W-320, 241-C-106 sluicing: Civil/structural calculations. Volume 1

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-07-28

    This supporting document has been prepared to make the FDNW civil/structural calculations for Project W-320 readily retrievable.

  4. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 5

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-07-24

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable.

  5. Project W-320, 241-C-106 sluicing: Civil/structural calculations. Volume 8

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-07-23

    This supporting document has been prepared to make the FDNW civil/structural calculations for Project W-320 readily retrievable.

  6. Project W-320, 241-C-106 sluicing: Piping calculations. Volume 3

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-07-25

    This supporting document has been prepared to make the FDNW calculations for Project W-320 readily retrievable.

  7. Viscosity index calculated by program in GW-basic for personal computers

    SciTech Connect (OSTI)

    Anaya, C.; Bermudez, O. )

    1988-12-26

    A computer program has been developed to calculate the viscosity index of oils when viscosities at two temperatures are known.

  8. Illustration of sampling-based approaches to the calculation of expected dose in performance assessments for the proposed high level radioactive waste repository at Yucca Mountain, Nevada.

    SciTech Connect (OSTI)

    Helton, Jon Craig; Sallaberry, Cedric J. PhD.

    2007-04-01

    A deep geologic repository for high level radioactive waste is under development by the U.S. Department of Energy at Yucca Mountain (YM), Nevada. As mandated in the Energy Policy Act of 1992, the U.S. Environmental Protection Agency (EPA) has promulgated public health and safety standards (i.e., 40 CFR Part 197) for the YM repository, and the U.S. Nuclear Regulatory Commission has promulgated licensing standards (i.e., 10 CFR Parts 2, 19, 20, etc.) consistent with 40 CFR Part 197 that the DOE must establish are met in order for the YM repository to be licensed for operation. Important requirements in 40 CFR Part 197 and 10 CFR Parts 2, 19, 20, etc. relate to the determination of expected (i.e., mean) dose to a reasonably maximally exposed individual (RMEI) and the incorporation of uncertainty into this determination. This presentation describes and illustrates how general and typically nonquantitive statements in 40 CFR Part 197 and 10 CFR Parts 2, 19, 20, etc. can be given a formal mathematical structure that facilitates both the calculation of expected dose to the RMEI and the appropriate separation in this calculation of aleatory uncertainty (i.e., randomness in the properties of future occurrences such as igneous and seismic events) and epistemic uncertainty (i.e., lack of knowledge about quantities that are poorly known but assumed to have constant values in the calculation of expected dose to the RMEI).

  9. Calculational method for determination of carburetor icing rate

    SciTech Connect (OSTI)

    Nazarov, V.I.; Emel'yanov, V.E.; Gonopol'ska, A.F.; Zaslavskii, A.A.

    1986-05-01

    This paper investigates the dependence of the carburetor icing rate on the density, distillation curve, and vapor pressure of gasoline. More than 100 gasoline samples, covering a range of volatility, were investigated. No clear-cut relationship can be observed between the carburetor icing rate and any specific property index of the gasoline. At the same time, there are certain variables that cannot be observed directly but can be interpreted readily through which the influence of gasoline quality on the carburetor icing rate can be explained. The conversion to these variables was accomplished with regard for the values of the variance and correlation of the carburetor icing rate. Equations are presented that may be used to predict the carburetor icing rate when using gasolines differing in quality. The equations can also determine the need for incorporating antiicing additives in the gasoline.

  10. Level-resolved R-matrix calculations for the electron-impact excitation of Ne{sup 3+} and Ne{sup 6+}

    SciTech Connect (OSTI)

    Ludlow, J. A.; Lee, T. G.; Ballance, C. P.; Loch, S. D.; Pindzola, M. S.

    2011-08-15

    Large-scale R-matrix calculations are carried out for the electron-impact excitation of Ne{sup 3+} and Ne{sup 6+}. For Ne{sup 3+}, a 581-LSJ-level R-matrix intermediate coupling frame transformation calculation is made for excitations up to the n=4 shell. For some transitions, large effective collision strength differences are found with current 23-jKJ-level Breit-Pauli R-matrix and earlier 22-LSJ-level R-matrix jj omega (JAJOM) calculations. For Ne{sup 6+}, a 171-jKJ-level Breit-Pauli R-matrix calculation is made for excitations up to the n=5 shell. For some transitions, large effective collision strength differences are found with current 46-jKJ-level Breit-Pauli R-matrix and earlier 46-LSJ-level R-matrix JAJOM calculations. Together with existing R-matrix calculations for other ion stages, high-quality excitation data are now available for astrophysical and laboratory plasma modeling along the entire Ne isonuclear sequence.

  11. Determination of permissible underground power cable installation -- A calculation method on cable ampacity based on heat generation

    SciTech Connect (OSTI)

    Kuo, C.K.

    1995-09-01

    In a power plant, it is often necessary to install a medium voltage underground cable system to transport the high capacity of auxiliary transformer power output to switchgear lineups. Installation of high current carrying power cable is often limited by the resistive heat generated by the passage of high current. Because heat dissipation in cable routed underground is affected by the soil temperature, soil resistivity, and cable depth, a systematic analysis is necessary to determine the permissible cable ampacity in each cable among the group of cables in any combination of underground cable and duct arrangements. The calculation will determine the medium allowable ampacity in such a system. Depending on the underground cable and duct arrangements, the current carrying capacity of similar cable systems may be different. The impedance of each phase of a cable will be different in a multi-conductor per phase cable system if the cable and duct arrangements are not symmetrical. The calculation will also determine any unbalanced phase impedances and calculate the unbalanced phase currents.

  12. Effect of a detailed radial core expansion reactivity feedback model on ATWS calculations using SASSYS/SAS4A

    SciTech Connect (OSTI)

    Wigeland, R.A.

    1986-01-01

    The present emphasis on inherent safety and inherently safe designs for liquid-metal reactors has resulted in a need to represent the various reactivity feedback mechanisms as accurately as possible. In particular, the reactivity feedback from radial core expansion has been found to provide the dominant negative feedback contribution in postulated anticipated transient without scram (ATWS) events. Review of the existing modeling in the SASSYS/SAS4A computer code system revealed that while the modeling may be adequate for the early phases of various unprotected transients, the accuracy would be less than desirable for the extended transients which typically occur for inherently safe designs. The existing model for calculating the reactivity feedback from radial core expansion uses a feedback from radial core expansion uses a feedback coefficient in conjunction with changes in the temperatures of the grid support plate and the above-core load pad. The accuracy of this approach is determined partly by the conditions used in deriving the feedback coefficient, and their relevance to the transient being investigated. Accuracy is also affected by the need to include effects other than those that could be directly related to changes in the grid plate and above-core load pad temperatures, such as subassembly bowing and the potential for clearances to occur between subassemblies in the above-core load pad region. As a result, a detailed model was developed in an attempt to account for these and other effects in a more mechanistic form.

  13. A procedure for the estimation of the numerical uncertainty of CFD calculations based on grid refinement studies

    SciTech Connect (OSTI)

    Ea, L.; Hoekstra, M.

    2014-04-01

    This paper offers a procedure for the estimation of the numerical uncertainty of any integral or local flow quantity as a result of a fluid flow computation; the procedure requires solutions on systematically refined grids. The error is estimated with power series expansions as a function of the typical cell size. These expansions, of which four types are used, are fitted to the data in the least-squares sense. The selection of the best error estimate is based on the standard deviation of the fits. The error estimate is converted into an uncertainty with a safety factor that depends on the observed order of grid convergence and on the standard deviation of the fit. For well-behaved data sets, i.e. monotonic convergence with the expected observed order of grid convergence and no scatter in the data, the method reduces to the well known Grid Convergence Index. Examples of application of the procedure are included. - Highlights: Estimation of the numerical uncertainty of any integral or local flow quantity. Least squares fits to power series expansions to handle noisy data. Excellent results obtained for manufactured solutions. Consistent results obtained for practical CFD calculations. Reduces to the well known Grid Convergence Index for well-behaved data sets.

  14. SU-E-T-224: Is Monte Carlo Dose Calculation Method Necessary for Cyberknife Brain Treatment Planning?

    SciTech Connect (OSTI)

    Wang, L; Fourkal, E; Hayes, S; Jin, L; Ma, C

    2014-06-01

    Purpose: To study the dosimetric difference resulted in using the pencil beam algorithm instead of Monte Carlo (MC) methods for tumors adjacent to the skull. Methods: We retrospectively calculated the dosimetric differences between RT and MC algorithms for brain tumors treated with CyberKnife located adjacent to the skull for 18 patients (total of 27 tumors). The median tumor sizes was 0.53-cc (range 0.018-cc to 26.2-cc). The absolute mean distance from the tumor to the skull was 2.11 mm (range - 17.0 mm to 9.2 mm). The dosimetric variables examined include the mean, maximum, and minimum doses to the target, the target coverage (TC) and conformality index. The MC calculation used the same MUs as the RT dose calculation without further normalization and 1% statistical uncertainty. The differences were analyzed by tumor size and distance from the skull. Results: The TC was generally reduced with the MC calculation (24 out of 27 cases). The average difference in TC between RT and MC was 3.3% (range 0.0% to 23.5%). When the TC was deemed unacceptable, the plans were re-normalized in order to increase the TC to 99%. This resulted in a 6.9% maximum change in the prescription isodose line. The maximum changes in the mean, maximum, and minimum doses were 5.4 %, 7.7%, and 8.4%, respectively, before re-normalization. When the TC was analyzed with regards to target size, it was found that the worst coverage occurred with the smaller targets (0.018-cc). When the TC was analyzed with regards to the distance to the skull, there was no correlation between proximity to the skull and TC between the RT and MC plans. Conclusions: For smaller targets (< 4.0-cc), MC should be used to re-evaluate the dose coverage after RT is used for the initial dose calculation in order to ensure target coverage.

  15. Preliminary safety calculations to improve the design of Molten Salt Fast Reactor

    SciTech Connect (OSTI)

    Brovchenko, M.; Heuer, D.; Merle-Lucotte, E.; Allibert, M.; Capellan, N.; Ghetta, V.; Laureau, A.

    2012-07-01

    Molten salt reactors are liquid fuel reactors so that they are flexible in operation but very different in the safety approach from solid fuel reactors. This study bears on the specific concept named Molten Salt Fast Reactor (MSFR). Since this new nuclear technology is in development, safety is an essential point to be considered all along the R and D studies. This paper presents the first step of the safety approach: the systematic description of the MSFR, limited here to the main systems surrounding the core. This systematic description is the basis on which we will be able to devise accidental scenarios. Thanks to the negative reactivity feedback coefficient, most accidental scenarios lead to reactor shut down. Because of the decay heat generated in the fuel salt, it must be cooled. After the description of the tools developed to calculate the residual heat, the different contributions are discussed in this study. The decay heat of fission products in the MSFR is evaluated to be low (3% of nominal power), mainly due to the reprocessing that transfers the fission products to the gas reprocessing unit. As a result, the contribution of the actinides is significant (0.5% of nominal power). The unprotected loss of heat sink transients are studied in this paper. It appears that slow transients are favorable (> 1 min) to minimize the temperature increase of the fuel salt. This work will be the basis of further safety studies as well as an essential parameter for the design of the draining system. (authors)

  16. Analysis of DOE s Roof Savings Calculator with Comparison to other Simulation Engines

    SciTech Connect (OSTI)

    New, Joshua Ryan; Huang, Yu; Levinson, Ronnen; Mellot, Joe; Sanyal, Jibonananda; Childs, Kenneth W

    2014-01-01

    A web-based Roof Savings Calculator (RSC) has been deployed for the Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. This tool employs the latest web technologies and usability design to provide an easy input interface to an annual simulation of hour-by-hour, whole-building performance using the world-class simulation tools DOE-2.1E and AtticSim. Building defaults were assigned based on national averages and can provide estimated annual energy and cost savings after the user selects nothing more than building location. In addition to cool reflective roofs, the RSC tool can simulate multiple roof and attic configurations including different roof slopes, above sheathing ventilation, radiant barriers, low-emittance surfaces, HVAC duct location, duct leakage rates, multiple layers of building materials, ceiling and deck insulation levels, and other parameters. A base case and energy-efficient alternative can be compared side-by-side to generate an energy/cost savings estimate between two buildings. The RSC tool was benchmarked against field data for demonstration homes in Ft. Irwin, CA. However, RSC gives different energy savings estimates than previous cool roof simulation tools so more thorough software and empirical validation proved necessary. This report consolidates much of the preliminary analysis for comparison of RSC s projected energy savings to that from other simulation engines.

  17. TH-E-BRE-05: Analysis of Dosimetric Characteristics in Two Leaf Motion Calculator Algorithms for Sliding Window IMRT

    SciTech Connect (OSTI)

    Wu, L; Huang, B; Rowedder, B; Ma, B; Kuang, Y

    2014-06-15

    Purpose: The Smart leaf motion calculator (SLMC) in Eclipse treatment planning system is an advanced fluence delivery modeling algorithm as it takes into account fine MLC features including inter-leaf leakage, rounded leaf tips, non-uniform leaf thickness, and the spindle cavity etc. In this study, SLMC and traditional Varian LMC (VLMC) algorithms were investigated, for the first time, in dosimetric characteristics and delivery accuracy of sliding window (SW) IMRT. Methods: The SW IMRT plans of 51 cancer cases were included to evaluate dosimetric characteristics and dose delivery accuracy from leaf motion calculated by SLMC and VLMC, respectively. All plans were delivered using a Varian TrueBeam Linac. The DVH and MUs of the plans were analyzed. Three patient specific QA tools - independent dose calculation software IMSure, Delta4 phantom, and EPID portal dosimetry were also used to measure the delivered dose distribution. Results: Significant differences in the MUs were observed between the two LMCs (p≤0.001).Gamma analysis shows an excellent agreement between the planned dose distribution calculated by both LMC algorithms and delivered dose distribution measured by three QA tools in all plans at 3%/3 mm, leading to a mean pass rate exceeding 97%. The mean fraction of pixels with gamma < 1 of SLMC is slightly lower than that of VLMC in the IMSure and Delta4 results, but higher in portal dosimetry (the highest spatial resolution), especially in complex cases such as nasopharynx. Conclusion: The study suggests that the two LMCs generates the similar target coverage and sparing patterns of critical structures. However, SLMC is modestly more accurate than VLMC in modeling advanced MLC features, which may lead to a more accurate dose delivery in SW IMRT. Current clinical QA tools might not be specific enough to differentiate the dosimetric discrepancies at the millimeter level calculated by these two LMC algorithms. NIH/NIGMS grant U54 GM104944, Lincy Endowed Assistant Professorship.

  18. Calculation of Design Parameters for an Equilibrium LEU Core in the NBSR using a U7Mo Dispersion Fuel

    SciTech Connect (OSTI)

    Hanson A. L.; Diamond D.

    2014-06-30

    A plan is being developed for the conversion of the NIST research reactor (NBSR) from high-enriched uranium (HEU) fuel to low-enriched uranium (LEU) fuel. The LEU fuel may be a monolithic foil (LEUm) of U10Mo (10% molybdenum by weight in an alloy with uranium) or a dispersion of U7Mo in aluminum (LEUd). A previous report provided neutronic calculations for the LEUm fuel and this report presents the neutronics parameters for the LEUd fuel. The neutronics parameters for the LEUd fuel are compared to those previously obtained for the present HEU fuel and the proposed LEUm fuel. The results show no significant differences between the LEUm and the LEUd other than the LEUd fuel requires slightly less uranium than the LEUm fuel due to less molybdenum being present. The calculations include kinetics parameters, reactivity coefficients, reactivity worths of control elements and abnormal configurations, and power distributions under normal operation and with misloaded fuel elements.

  19. Calculating the dynamics of High Explosive Violent Response (HEVR) after ignition

    SciTech Connect (OSTI)

    Reaugh, J E

    2008-10-15

    We are developing models to describe the circumstances when molecular and composite explosives undergo a rapid release of energy without detonating, and to describe the evolution of the energy release. The models also apply to the behavior of rocket propellants subject to mechanical insult, whether for accidents (Hazards) or the suite of standardized tests used to assess whether the system can be designated an Insensitive Munition (IM). In the applications described here, we are studying a UK-developed HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane) explosive, which is 91% by weight HMX and 9% binder-plasticizer. Most explosives and propellants, when subjected to a mechanical insult such as a drop or impact that is well below the threshold for detonation, have been observed to react. In some circumstances the reaction can be violent. This behavior is known as High Explosive Violent Response (HEVR). Fundamental to our model is the observation that the mechanical insult produces damage in a volume of the explosive near the trajectory of the impactor. The damage is manifest as surface area through the creation of cracks and fragments, and also as porosity through the separation of crack faces and isolation of the fragments. Open porosity permits a flame to spread easily and so ignite the newly formed surface area. The additional surface area leads to a direct increase in the mass-burning rate. As the kinetic energy and power of the insult increases, the degree of damage and the volume of damage both increase. Upon a localized ignition, the flame spreads to envelop the damaged volume, and the pressure rises at an accelerated rate until neither mechanical strength nor inertial confinement can successfully contain the pressure. The confining structure begins to expand. This reduces the pressure and may even extinguish the flame. Both the mass of explosive involved and the rate at which the gas is produced contribute to each of several different measures of violence. Such measures include damage to the confinement, the velocity and fragment size distributions from what was the confinement, and air blast. In the first phase (advisory) model described in [1], the surface to volume ratio and the ignition parameter are calibrated by comparison with experiments using the UK explosive. In order to achieve the second phase (interactive) model, and so calculate the pressure developed and the velocity imparted to the confinement, we need to calculate the spread of the ignition front, the subsequent burn behavior behind that front, and the response of unburned and partially burned explosive to pressurization. A preliminary model to do such calculations is described here.

  20. Machine learning of parameters for accurate semiempirical quantum chemical calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dral, Pavlo O.; von Lilienfeld, O. Anatole; Thiel, Walter

    2015-04-14

    We investigate possible improvements in the accuracy of semiempirical quantum chemistry (SQC) methods through the use of machine learning (ML) models for the parameters. For a given class of compounds, ML techniques require sufficiently large training sets to develop ML models that can be used for adapting SQC parameters to reflect changes in molecular composition and geometry. The ML-SQC approach allows the automatic tuning of SQC parameters for individual molecules, thereby improving the accuracy without deteriorating transferability to molecules with molecular descriptors very different from those in the training set. The performance of this approach is demonstrated for the semiempiricalmore » OM2 method using a set of 6095 constitutional isomers C7H10O2, for which accurate ab initio atomization enthalpies are available. The ML-OM2 results show improved average accuracy and a much reduced error range compared with those of standard OM2 results, with mean absolute errors in atomization enthalpies dropping from 6.3 to 1.7 kcal/mol. They are also found to be superior to the results from specific OM2 reparameterizations (rOM2) for the same set of isomers. The ML-SQC approach thus holds promise for fast and reasonably accurate high-throughput screening of materials and molecules.« less

  1. ANALYTICAL CALCULATION OF STOKES PROFILES OF ROTATING STELLAR MAGNETIC DIPOLE

    SciTech Connect (OSTI)

    Martinez Gonzalez, M. J.

    2012-08-20

    The observation of the polarization emerging from a rotating star at different phases opens up the possibility to map the magnetic field in the stellar surface thanks to the well-known Zeeman-Doppler imaging. When the magnetic field is sufficiently weak, the circular and linear polarization profiles locally in each point of the star are proportional to the first and second derivatives of the unperturbed intensity profile, respectively. We show that the weak-field approximation (for weak lines in the case of linear polarization) can be generalized to the case of a rotating star including the Doppler effect and taking into account the integration on the stellar surface. The Stokes profiles are written as a linear combination of wavelength-dependent terms expressed as series expansions in terms of Hermite polynomials. These terms contain the surface-integrated magnetic field and velocity components. The direct numerical evaluation of these quantities is limited to rotation velocities not larger than eight times the Doppler width of the local absorption profiles. Additionally, we demonstrate that in a rotating star, the circular polarization flux depends on the derivative of the intensity flux with respect to the wavelength and also on the profile itself. Likewise, the linear polarization depends on the profile and on its first and second derivatives with respect to the wavelength. We particularize the general expressions to a rotating dipole.

  2. DC 12m telescope. Preliminary calculations. Investigation of elevation axis position.

    SciTech Connect (OSTI)

    Guarino, V. J.; High Energy Physics

    2009-12-18

    This paper examines some simple calculations of a 2D model of a telescope in order to understand how different design parameters affect the design. For the design of a telescope it is assumed that they need a design that minimizes deflections of the dish and also minimizes the size of the motors and torques needed to rotate in elevation. A common belief is that a lighter dish and minimum counterweight is desirable. However, these calculations show this is not necessarily true. The torque needed for rotation depends on the moment of inertia and if the telescope is balanced about the elevation axis. A light dish with no CW requires that the elevation axis be several meters in front of the dish (8-9m) in order to be balanced. This is not practical from a structural point of view. If the elevation axis is only 2m in front of the dish and there is no counterweight then the telescope will be unbalanced and the toruqes required will be very high - much higher than the torques needed only to overcome inertia. A heavy dish though can act as its own counterweight and the elevation axis only has to be 2-3m in front of the dish in order to achieve a balanced telescope. Also the struts that support the camera from the dish place a load on the dish which will put a bending moment on the dish. This bending moment will deform the dish and require it to be stiffer. A counterweight structure performs two functions. First, it allows the telescope to be balanced about the elevation axis. Second, it applies a force on the dish that opposes the forces from the camera struts, thereby reducing the bending moment and deformations of the dish.

  3. Spinel compounds as multivalent battery cathodes: A systematic evaluation based on ab initio calculations

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, Miao; Rong, Ziqin; Malik, Rahul; Canepa, Pieremanuele; Jain, Anubhav; Ceder, Gerbrand; Persson, Kristin A.

    2014-12-16

    In this study, batteries that shuttle multivalent ions such as Mg2+ and Ca2+ ions are promising candidates for achieving higher energy density than available with current Li-ion technology. Finding electrode materials that reversibly store and release these multivalent cations is considered a major challenge for enabling such multivalent battery technology. In this paper, we use recent advances in high-throughput first-principles calculations to systematically evaluate the performance of compounds with the spinel structure as multivalent intercalation cathode materials, spanning a matrix of five different intercalating ions and seven transition metal redox active cations. We estimate the insertion voltage, capacity, thermodynamic stabilitymore » of charged and discharged states, as well as the intercalating ion mobility and use these properties to evaluate promising directions. Our calculations indicate that the Mn2O4 spinel phase based on Mg and Ca are feasible cathode materials. In general, we find that multivalent cathodes exhibit lower voltages compared to Li cathodes; the voltages of Ca spinels are ~0.2 V higher than those of Mg compounds (versus their corresponding metals), and the voltages of Mg compounds are ~1.4 V higher than Zn compounds; consequently, Ca and Mg spinels exhibit the highest energy densities amongst all the multivalent cation species. The activation barrier for the Al³⁺ ion migration in the Mn₂O₄ spinel is very high (~1400 meV for Al3+ in the dilute limit); thus, the use of an Al based Mn spinel intercalation cathode is unlikely. Amongst the choice of transition metals, Mn-based spinel structures rank highest when balancing all the considered properties.« less

  4. Environment-based pin-power reconstruction method for homogeneous core calculations

    SciTech Connect (OSTI)

    Leroyer, H.; Brosselard, C.; Girardi, E.

    2012-07-01

    Core calculation schemes are usually based on a classical two-step approach associated with assembly and core calculations. During the first step, infinite lattice assemblies calculations relying on a fundamental mode approach are used to generate cross-sections libraries for PWRs core calculations. This fundamental mode hypothesis may be questioned when dealing with loading patterns involving several types of assemblies (UOX, MOX), burnable poisons, control rods and burn-up gradients. This paper proposes a calculation method able to take into account the heterogeneous environment of the assemblies when using homogeneous core calculations and an appropriate pin-power reconstruction. This methodology is applied to MOX assemblies, computed within an environment of UOX assemblies. The new environment-based pin-power reconstruction is then used on various clusters of 3x3 assemblies showing burn-up gradients and UOX/MOX interfaces, and compared to reference calculations performed with APOLLO-2. The results show that UOX/MOX interfaces are much better calculated with the environment-based calculation scheme when compared to the usual pin-power reconstruction method. The power peak is always better located and calculated with the environment-based pin-power reconstruction method on every cluster configuration studied. This study shows that taking into account the environment in transport calculations can significantly improve the pin-power reconstruction so far as it is consistent with the core loading pattern. (authors)

  5. Measurements and calculations of oscillations and phase relations in the driven gas-phase combustion of acetaldehyde

    SciTech Connect (OSTI)

    Tsujimoto, K.K.; Hjelmfelt, A.; Ross, J. (Department of Chemistry, Stanford University, Stanford, California (USA))

    1991-09-01

    Oscillations in light emission and species concentrations, are measured as periodic perturbations are simultaneously applied to the input rates of acetaldehyde and oxygen in the gas-phase combustion of acetaldehyde in a continuous-flow stirred tank reactor for conditions where the autonomous reaction itself is oscillatory. The experimental results are compared with the predictions of a five-variable thermokinetic model. We measure periodic responses in the fundamental entrainment band (ratio of frequency of perturbation to frequency of response equal to unity) for four different values of phase shift between the acetaldehyde and oxygen perturbation wave forms as we vary the frequency and amplitude of the external periodic perturbations. Outside of the entrainment bands we find quasiperiodic response. We determine the phases of the light emission and six species concentrations, as measured with a mass spectrometer, with respect to the periodic perturbation, the variation of these phases across the fundamental entrainment band for different values of reactant phase shift and for different amplitudes of perturbation, and the effects of the phase shift between the two input perturbations on the light emission response of the system for different frequencies of perturbation. Both the experiments and calculations predict a widening of the entrainment band with an increase in perturbation amplitude, and the same variation in bandwidths for the four values of reactant phase shift studied. The experiments and calculations also predict the same general trends in light phase and species phases (difference between the light emission and species concentrations with respect to the perturbing wave form) as the band is traversed for different amplitudes of perturbation and for different values of reactant phase shift.

  6. Pyranometers and Reference Cells, What's the Difference?: Preprint

    SciTech Connect (OSTI)

    Meydbray, J.; Emery, K.; Kurtz, S.

    2012-03-01

    As the photovoltaic industry has grown exponentially in the past decade, large photovoltaic (PV) fields have become more common. The investors for these projects calculate the expected return on investment based on expected electricity generation and adjust the interest rates and other financial terms according to the perceived risk. These calculations usually assume worst case according to the listed warranty and any uncertainty in the measurement is translated directly into a reduced predicted performance. Because a 1% difference in predicted output could represent a large fraction of the expected return on investment, a small reduction in uncertainty translates into a much larger value to the entity making investment decisions. To reduce perceived risk in large-scale solar investments power plant performance (or production) guarantees have become increasingly common. This two part article explores some subtleties of accurately measuring PV efficiency in the field.

  7. Verification of EPA's ''Preliminary Remediation Goals for radionuclides'' (PRG) electronic calculator

    SciTech Connect (OSTI)

    Jannik, Tim; Stagich, Brooke

    2015-08-28

    The U.S. Environmental Protection Agency (EPA) requested an external, independent verification study of their updated “Preliminary Remediation Goals for Radionuclides” (PRG) electronic calculator. The calculator provides PRGs for radionuclides that are used as a screening tool at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and Resource Conservation and Recovery Act (RCRA) sites. These risk-based PRGs establish concentration limits under specific exposure scenarios. The purpose of this verification study is to determine that the calculator has no inherit numerical problems with obtaining solutions as well as to ensure that the equations are programmed correctly. There are 167 equations used in the calculator. To verify the calculator, all equations for each of seven receptor types (resident, construction worker, outdoor and indoor worker, recreator, farmer, and composite worker) were hand calculated using the default parameters. The same four radionuclides (Am-241, Co-60, H-3, and Pu-238) were used for each calculation for consistency throughout.

  8. Variable Average Absolute Percent Differences

    U.S. Energy Information Administration (EIA) Indexed Site

    Variable Average Absolute Percent Differences Percent of Projections Over- Estimated Gross Domestic Product Real Gross Domestic Product (Average Cumulative Growth)* (Table 2) 0.9 45.8 Petroleum Imported Refiner Acquisition Cost of Crude Oil (Constant $) (Table 3a) 37.7 17.3 Imported Refiner Acquisition Cost of Crude Oil (Nominal $) (Table 3b) 36.6 18.7 Total Petroleum Consumption (Table 4) 7.9 70.7 Crude Oil Production (Table 5) 8.1 51.1 Petroleum Net Imports (Table 6) 24.7 73.8 Natural Gas

  9. SU-E-T-71: Commissioning and Acceptance Testing of a Commercial Monte Carlo Electron Dose Calculation Model (eMC) for TrueBeam

    SciTech Connect (OSTI)

    Sheu, R; Tseng, T; Powers, A; Lo, Y

    2014-06-01

    Purpose: To provide commissioning and acceptance test data of the Varian Eclipse electron Monte Carlo model (eMC v.11) for TrueBeam linac. We also investigated the uncertainties in beam model parameters and dose calculation results for different geometric configurations. Methods: For beam commissioning, PTW CC13 thimble chamber and IBA Blue Phantom2 were used to collect PDD and dose profiles in air. Cone factors were measured with a parallel plate chamber (PTW N23342) in solid water. GafChromic EBT3 films were used for dose calculation verifications to compare with parallel plate chamber results in the following test geometries: oblique incident, extended distance, small cutouts, elongated cutouts, irregular surface, and heterogeneous layers. Results: Four electron energies (6e, 9e, 12e, and 15e) and five cones (66, 1010, 1515, 2020, and 2525) with standard cutouts were calculated for different grid sizes (1, 1.5,2, and 2.5 mm) and compared with chamber measurements. The results showed calculations performed with a coarse grid size underestimated the absolute dose. The underestimation decreased as energy increased. For 6e, the underestimation (max 3.3 %) was greater than the statistical uncertainty level (3%) and was systematically observed for all cone sizes. By using a 1mm grid size, all the calculation results agreed with measurements within 5% for all test configurations. The calculations took 21s and 46s for 6e and 15e (2.5mm grid size) respectively distributed on 4 calculation servants. Conclusion: In general, commissioning the eMC dose calculation model on TrueBeam is straightforward and thedose calculation is in good agreement with measurements for all test cases. Monte Carlo dose calculation provides more accurate results which improves treatment planning quality. However, the normal acceptable grid size (2.5mm) would cause systematic underestimation in absolute dose calculation for lower energies, such as 6e. Users need to be cautious in this situation.

  10. Application of different nuclides in retrospective dosimetry

    SciTech Connect (OSTI)

    Konheiser, J.; Mittag, S.; Viehrig, H.W.; Gleisberg, B.

    2011-07-01

    The activities of nuclides produced via the neutron irradiation of reactor pressure vessel (RPV) steel are used to validate respective fluence calculations. Niobium, nickel, and technetium isotopes from RPV trepans of the decommissioned NPP Greifswald (VVER-440) have been analyzed. The activities were determined by TRAMO (Monte-Carlo) fluence calculations, newly applying 640 neutron-energy groups and ENDF/B7 data. Relative to earlier results, fluences up to 20% higher have been computed, leading to somewhat better agreement between measurement and calculation, particularly in the case of Tc-99. (authors)

  11. Systematic calculation of electric dipole strength with Skyrme-HF plus RPA

    SciTech Connect (OSTI)

    Inakura, T.; Nakatsukasa, T.; Yabana, K.

    2010-05-12

    We undertake a systematic calculation on electric dipole responses of even-even nuclei for a wide mass region employing a fully self-consistent Hartree-Fock plus RPA approach. For an easy implementation of the fully self-consistent calculation, the finite amplitude method which we have proposed recently is employed. We calculate dipole responses in Cartesian mesh representation, which can deal with deformed nuclei but do not include pairing correlation. The systematic calculation has reached a mass Aapprox100 region. The calculated results show reasonable agreement for heavy nuclei while the average excitation energies are underestimated for light nuclei. We show a systematic comparison of calculated peak energies of giant dipole resonances, and the splitting of the peak energy with the ground state deformation.

  12. Influence of FRAPCON-1 evaluation models on fuel behavior calculations for commercial power reactors. [PWR; BWR

    SciTech Connect (OSTI)

    Chambers, R.; Laats, E.T.

    1981-01-01

    A preliminary set of nine evaluation models (EMs) was added to the FRAPCON-1 computer code, which is used to calculate fuel rod behavior in a nuclear reactor during steady-state operation. The intent was to provide an audit code to be used in the United States Nuclear Regulatory Commission (NRC) licensing activities when calculations of conservative fuel rod temperatures are required. The EMs place conservatisms on the calculation of rod temperature by modifying the calculation of rod power history, fuel and cladding behavior models, and materials properties correlations. Three of the nine EMs provide either input or model specifications, or set the reference temperature for stored energy calculations. The remaining six EMs were intended to add thermal conservatism through model changes. To determine the relative influence of these six EMs upon fuel behavior calculations for commercial power reactors, a sensitivity study was conducted. That study is the subject of this paper.

  13. HVAC Right-Sizing Part 1: Calculating Loads | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Right-Sizing Part 1: Calculating Loads HVAC Right-Sizing Part 1: Calculating Loads This webinar, presented by IBACOS (a Building America Research Team) will highlight the key criteria required to create accurate heating and cooling load calculations, following the guidelines of the Air Conditioning Contractors of America (ACCA) Manual J version 8 PDF icon webinar_hvac_calculatingloads_20110428.pdf More Documents & Publications 2014-08-28 Issuance: Energy Conservation Standards for Packaged

  14. WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding |

    Energy Savers [EERE]

    Department of Energy : Calculation of Job Creation through DOE Recovery Act Funding WPN 10-14: Calculation of Job Creation through DOE Recovery Act Funding Archived 09/29/10, Superseded by WPN 10-14a Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds received under the American Recovery and Reinvestment Act of 2009 (Recovery Act), and reporting that information to the Department of Energy (DOE). PDF icon

  15. WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding -

    Energy Savers [EERE]

    Updated | Department of Energy a: Calculation of Job Creation through DOE Recovery Act Funding - Updated WPN 10-14a: Calculation of Job Creation through DOE Recovery Act Funding - Updated Archived 09/30/15, ARRA Completion Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds received under the American Recovery and Reinvestment Act of 2009 (Recovery Act), and reporting that information to the Department of

  16. An Effective Method to Accurately Calculate the Phase Space Factors for β - β - Decay

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Neacsu, Andrei; Horoi, Mihai

    2016-01-01

    Accurate calculations of the electron phase space factors are necessary for reliable predictions of double-beta decay rates and for the analysis of the associated electron angular and energy distributions. We present an effective method to calculate these phase space factors that takes into account the distorted Coulomb field of the daughter nucleus, yet it allows one to easily calculate the phase space factors with good accuracy relative to the most exact methods available in the recent literature.

  17. Performing three-dimensional neutral particle transport calculations on tera scale computers

    SciTech Connect (OSTI)

    Woodward, C S; Brown, P N; Chang, B; Dorr, M R; Hanebutte, U R

    1999-01-12

    A scalable, parallel code system to perform neutral particle transport calculations in three dimensions is presented. To utilize the hyper-cluster architecture of emerging tera scale computers, the parallel code successfully combines the MPI message passing and paradigms. The code's capabilities are demonstrated by a shielding calculation containing over 14 billion unknowns. This calculation was accomplished on the IBM SP ''ASCI-Blue-Pacific computer located at Lawrence Livermore National Laboratory (LLNL).

  18. Ray tracing flux calculation for the small and wide angle x-ray scattering

    Office of Scientific and Technical Information (OSTI)

    diffraction station at the SESAME synchrotron radiation facility (Journal Article) | SciTech Connect Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility Citation Details In-Document Search Title: Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility The calculation for the optics of the synchrotron radiation small and

  19. The Excited-state Spectrum of QCD through Lattice Gauge Theory Calculations

    SciTech Connect (OSTI)

    David Richards

    2012-12-01

    I describe recent progress at understanding the excited state spectrum of QCD through lattice gauge calculations. I begin by outlining the evolution of the lattice effort at JLab. I detail the impact of recent lattice calculations on the present and upcoming experimental programs, and in particular that of the 12 GeV upgrade of Jefferson Laboratory. I conclude with the prospect for future calculations.

  20. Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach

    Office of Scientific and Technical Information (OSTI)

    model (Journal Article) | SciTech Connect Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach model Citation Details In-Document Search Title: Calculation of delayed-neutron energy spectra in a QRPA-Hauser-Feshbach model Theoretical {beta}-delayed-neutron spectra are calculated based on the Quasiparticle Random-Phase Approximation (QRPA) and the Hauser-Feshbach statistical model. Neutron emissions from an excited daughter nucleus after {beta} decay to the granddaughter

  1. Calculation of nuclear reaction cross sections on excited nuclei with the

    Office of Scientific and Technical Information (OSTI)

    coupled-channels method (Journal Article) | SciTech Connect Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method Citation Details In-Document Search Title: Calculation of nuclear reaction cross sections on excited nuclei with the coupled-channels method We calculate nuclear cross sections on excited nuclei in the fast neutron energy range. We partition the whole process into two contributions: the direct reaction part and the compound nuclear

  2. Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled"

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Water Heaters | Department of Energy Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled" Water Heaters Illustrative Calculation of Economics for Heat Pump and "Grid-Enabled" Water Heaters PDF icon Rate discount calculation for DR WH.pdf More Documents & Publications Building America Technology Solutions for New and Existing Homes: Performance of a Heat Pump Water Heater in the Hot-Humid Climate, Windermere, Florida (Fact Sheet) Building America

  3. Building America Webinar: HVAC Right-Sizing Part 1-Calculating Loads |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy HVAC Right-Sizing Part 1-Calculating Loads Building America Webinar: HVAC Right-Sizing Part 1-Calculating Loads During this webinar, Building America Research Team IBACOS highlighted the key criteria required to create accurate heating and cooling load calculations. Current industry rules of thumb, perceptions and barriers to right-sizing HVAC were also discussed. File webinar_hvac_calculatingloads_20110428.wmv More Documents & Publications HVAC Right-Sizing Part 1:

  4. Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f)

    Office of Scientific and Technical Information (OSTI)

    Reaction (Technical Report) | SciTech Connect Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f) Reaction Citation Details In-Document Search Title: Microscopic Calculation of Fission Fragment Energies for the 239Pu(nth,f) Reaction We calculate the total kinetic and excitation energies of fragments produced in the thermal-induced fission of {sup 239}Pu. This result is a proof-of-principle demonstration for a microscopic approach to the calculation of fission-fragment

  5. Dispersive calculation of complex Regge trajectories for the lightest f2 resonances and the K*(892)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Carrasco, J. A.; Nebreda, J.; Pelaez, Jose R.; Szczepaniak, Adam P.

    2015-08-11

    A recently developed dispersive formalism is applied to calculate the Regge trajectories of the f2(1270), f2(1525) and K*(892) mesons.

  6. TOSPAC calculations in support of the COVE 2A benchmarking activity; Yucca Mountain Site Characterization Project

    SciTech Connect (OSTI)

    Gauthier, J.H.; Zieman, N.B.; Miller, W.B.

    1991-10-01

    The purpose of the the Code Verification (COVE) 2A benchmarking activity is to assess the numerical accuracy of several computer programs for the Yucca Mountain Site Characterization Project of the Department of Energy. This paper presents a brief description of the computer program TOSPAC and a discussion of the calculational effort and results generated by TOSPAC for the COVE 2A problem set. The calculations were performed twice. The initial calculations provided preliminary results for comparison with the results from other COVE 2A participants. TOSPAC was modified in response to the comparison and the final calculations included a correction and several enhancements to improve efficiency. 8 refs.

  7. Ray tracing flux calculation for the small and wide angle x-ray...

    Office of Scientific and Technical Information (OSTI)

    Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility Citation Details In-Document Search ...

  8. Supplementary neutron-flux calculations for the ORNL Pool Critical Assembly Pressure Vessel Facility

    SciTech Connect (OSTI)

    Maudlin, P.J.; Maerker, R.E.

    1982-01-01

    A three-dimensional Monte Carlo calculation using the MORSE code was performed to validate a procedure previously adopted in the ORNL discrete ordinate analysis of measurements made in the ORNL Pool Critical Assembly Pressure Vessel Facility. The results of these flux calculations agree, within statistical undertainties of about 5%, with those obtained from a discrete ordinate analysis employing the same procedure. This study therefore concludes that the procedure for combining several one- and two-dimensional discrete ordinate calculations into a three-dimensional flux is sufficiently accurate that it does not account for the existing discrepancies observed between calculations and measurements in this facility.

  9. Vehicle Technologies Office Merit Review 2014: First Principles Calculations and NMR Spectroscopy of Electrode Materials

    Broader source: Energy.gov [DOE]

    Presentation given by [company name] at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about first principles calculations...

  10. Gobble Up Fuel Savings on Your Next Road Trip with My Trip Calculator...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    newest tool, My Trip Calculator. | Photo courtesy of iStockphoto.comgioadventures. Rebecca Matulka Rebecca Matulka Former Digital Communications Specialist, Office of ...

  11. WPN 10-14: Calculation of Job Creation through DOE Recovery Act...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    092910, Superseded by WPN 10-14a Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds...

  12. WPN 10-14a: Calculation of Job Creation through DOE Recovery...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Archived 093015, ARRA Completion Provides additional guidance to grantees on the methodology for calculating jobs created and retained through expenditure of grant funds...

  13. Microscopic Calculation of 240Pu Scission with a Finite-Range...

    Office of Scientific and Technical Information (OSTI)

    calculation for sup 226Th is obtained and compared to results in the literature. ... Country of Publication: United States Language: English Subject: 73 NUCLEAR PHYSICS AND ...

  14. CONTINUOUS-ENERGY MONTE CARLO METHODS FOR CALCULATING GENERALIZED RESPONSE SENSITIVITIES USING TSUNAMI-3D

    SciTech Connect (OSTI)

    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.

  15. Practical Calculation of Molecular Acidity with the Aid of a Reference Molecule

    SciTech Connect (OSTI)

    Burger, Steven K; Liu, Shubin; Ayers, Paul W

    2011-02-24

    A set of linear free energy models are presented for determining the pK{sub a} values of amines, alcohols, and carboxylic acids. Models are determined from a series of pK{sub a} predictors, taken both from traditional natural atomic orbital analysis (NAO) and from a novel approach introduced here of using a reference molecule: an ammonium ion for amines and a hydrogen sulfide molecule for alcohols and carboxylic acids. Using these reference molecules, we calculate the barrier to proton transfer and show that a number of properties associated with the transition state are correlated with the pK{sub a}. By considering 38 predictors, we obtain a four-variable model for amines and a three-variable model for oxygen-containing compounds. The model for amines is based on 145 compounds and has a root mean squared error (RMSE) of 0.45 and R{sup 2} = 0.98. The oxygen set has 48 molecules: RMSE = 0.26, and R{sup 2} = 0.993. Similar, linear, and multilinear models are constructed after separating the sets into chemically similar categories: alcohols, carboxylic acids, and primary, secondary, tertiary, and aromatic amines. This separation gives simpler models with relatively low RMSE values, where the most important predictor of the pK{sub a} is the difference in energy between transferring the proton from the reference molecular base to the conjugate acid from the data set.

  16. GPAW - massively parallel electronic structure calculations with Python-based software.

    SciTech Connect (OSTI)

    Enkovaara, J.; Romero, N.; Shende, S.; Mortensen, J.

    2011-01-01

    Electronic structure calculations are a widely used tool in materials science and large consumer of supercomputing resources. Traditionally, the software packages for these kind of simulations have been implemented in compiled languages, where Fortran in its different versions has been the most popular choice. While dynamic, interpreted languages, such as Python, can increase the effciency of programmer, they cannot compete directly with the raw performance of compiled languages. However, by using an interpreted language together with a compiled language, it is possible to have most of the productivity enhancing features together with a good numerical performance. We have used this approach in implementing an electronic structure simulation software GPAW using the combination of Python and C programming languages. While the chosen approach works well in standard workstations and Unix environments, massively parallel supercomputing systems can present some challenges in porting, debugging and profiling the software. In this paper we describe some details of the implementation and discuss the advantages and challenges of the combined Python/C approach. We show that despite the challenges it is possible to obtain good numerical performance and good parallel scalability with Python based software.

  17. Evaluation and Parameter Analysis of Burn up Calculations for the Assessment of Radioactive Waste - 13187

    SciTech Connect (OSTI)

    Fast, Ivan; Aksyutina, Yuliya; Tietze-Jaensch, Holger

    2013-07-01

    Burn up calculations facilitate a determination of the composition and nuclear inventory of spent nuclear fuel, if operational history is known. In case this information is not available, the total nuclear inventory can be determined by means of destructive or, even on industrial scale, nondestructive measurement methods. For non-destructive measurements however only a few easy-to-measure, so-called key nuclides, are determined due to their characteristic gamma lines or neutron emission. From these measured activities the fuel burn up and cooling time are derived to facilitate the numerical inventory determination of spent fuel elements. Most regulatory bodies require an independent assessment of nuclear waste properties and their documentation. Prominent part of this assessment is a consistency check of inventory declaration. The waste packages often contain wastes from different types of spent fuels of different history and information about the secondary reactor parameters may not be available. In this case the so-called characteristic fuel burn up and cooling time are determined. These values are obtained from a correlations involving key-nuclides with a certain bandwidth, thus with upper and lower limits. The bandwidth is strongly dependent on secondary reactor parameter such as initial enrichment, temperature and density of the fuel and moderator, hence the reactor type, fuel element geometry and plant operation history. The purpose of our investigation is to look into the scaling and correlation limitations, to define and verify the range of validity and to scrutinize the dependencies and propagation of uncertainties that affect the waste inventory declarations and their independent verification. This is accomplished by numerical assessment and simulation of waste production using well accepted codes SCALE 6.0 and 6.1 to simulate the cooling time and burn up of a spent fuel element. The simulations are benchmarked against spent fuel from the real reactor Obrigheim in Germany for which sufficiently precise experimental reference data are available. (authors)

  18. A Monte Carlo neutron transport code for eigenvalue calculations on a dual-GPU system and CUDA environment

    SciTech Connect (OSTI)

    Liu, T.; Ding, A.; Ji, W.; Xu, X. G. [Nuclear Engineering and Engineering Physics, Rensselaer Polytechnic Inst., Troy, NY 12180 (United States); Carothers, C. D. [Dept. of Computer Science, Rensselaer Polytechnic Inst. RPI (United States); Brown, F. B. [Los Alamos National Laboratory (LANL) (United States)

    2012-07-01

    Monte Carlo (MC) method is able to accurately calculate eigenvalues in reactor analysis. Its lengthy computation time can be reduced by general-purpose computing on Graphics Processing Units (GPU), one of the latest parallel computing techniques under development. The method of porting a regular transport code to GPU is usually very straightforward due to the 'embarrassingly parallel' nature of MC code. However, the situation becomes different for eigenvalue calculation in that it will be performed on a generation-by-generation basis and the thread coordination should be explicitly taken care of. This paper presents our effort to develop such a GPU-based MC code in Compute Unified Device Architecture (CUDA) environment. The code is able to perform eigenvalue calculation under simple geometries on a multi-GPU system. The specifics of algorithm design, including thread organization and memory management were described in detail. The original CPU version of the code was tested on an Intel Xeon X5660 2.8 GHz CPU, and the adapted GPU version was tested on NVIDIA Tesla M2090 GPUs. Double-precision floating point format was used throughout the calculation. The result showed that a speedup of 7.0 and 33.3 were obtained for a bare spherical core and a binary slab system respectively. The speedup factor was further increased by a factor of {approx}2 on a dual GPU system. The upper limit of device-level parallelism was analyzed, and a possible method to enhance the thread-level parallelism was proposed. (authors)

  19. Evaluation of a new commercial Monte Carlo dose calculation algorithm for electron beams

    SciTech Connect (OSTI)

    Vandervoort, Eric J. Cygler, Joanna E.; The Faculty of Medicine, The University of Ottawa, Ottawa, Ontario K1H 8M5; Department of Physics, Carleton University, Ottawa, Ontario K1S 5B6 ; Tchistiakova, Ekaterina; Department of Medical Biophysics, University of Toronto, Ontario M5G 2M9; Heart and Stroke Foundation Centre for Stroke Recovery, Sunnybrook Research Institute, University of Toronto, Ontario M4N 3M5 ; La Russa, Daniel J.; The Faculty of Medicine, The University of Ottawa, Ottawa, Ontario K1H 8M5

    2014-02-15

    Purpose: In this report the authors present the validation of a Monte Carlo dose calculation algorithm (XiO EMC from Elekta Software) for electron beams. Methods: Calculated and measured dose distributions were compared for homogeneous water phantoms and for a 3D heterogeneous phantom meant to approximate the geometry of a trachea and spine. Comparisons of measurements and calculated data were performed using 2D and 3D gamma index dose comparison metrics. Results: Measured outputs agree with calculated values within estimated uncertainties for standard and extended SSDs for open applicators, and for cutouts, with the exception of the 17 MeV electron beam at extended SSD for cutout sizes smaller than 5 5 cm{sup 2}. Good agreement was obtained between calculated and experimental depth dose curves and dose profiles (minimum number of measurements that pass a 2%/2 mm agreement 2D gamma index criteria for any applicator or energy was 97%). Dose calculations in a heterogeneous phantom agree with radiochromic film measurements (>98% of pixels pass a 3 dimensional 3%/2 mm ?-criteria) provided that the steep dose gradient in the depth direction is considered. Conclusions: Clinically acceptable agreement (at the 2%/2 mm level) between the measurements and calculated data for measurements in water are obtained for this dose calculation algorithm. Radiochromic film is a useful tool to evaluate the accuracy of electron MC treatment planning systems in heterogeneous media.

  20. Quantum mechanical method of fragment's angular and energy distribution calculation for binary and ternary fission

    SciTech Connect (OSTI)

    Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Titova, L. V.; Pen'kov, N. V. [Voronezh State University (Russian Federation)

    2006-08-15

    In the framework of quantum-mechanical fission theory, the method of calculation for partial fission width amplitudes and asymptotic behavior of the fissile nucleus wave function with strong channel coupling taken into account has been suggested. The method allows one to solve the calculation problem of angular and energy distribution countation for binary and ternary fission.

  1. Calculation notes in support of TWRS FSAR spray leak accident analysis

    SciTech Connect (OSTI)

    Hall, B.W., Westinghouse Hanford

    1996-08-05

    This document includes the calculations needed to quantify the risk associated with unmitigated and mitigated pressurized spray releases from tank farm transfer equipment inside transfer enclosures. The calculations within this document support the spray leak accident analysis reported in the TWRS FSAR.

  2. Continuous Energy, Multi-Dimensional Transport Calculations for Problem Dependent Resonance Self-Shielding

    SciTech Connect (OSTI)

    T. Downar

    2009-03-31

    The overall objective of the work here has been to eliminate the approximations used in current resonance treatments by developing continuous energy multi-dimensional transport calculations for problem dependent self-shielding calculations. The work here builds on the existing resonance treatment capabilities in the ORNL SCALE code system.

  3. Bounding Radionuclide Inventory and Accident Consequence Calculation for the 1L Target

    SciTech Connect (OSTI)

    Kelsey, Charles T. IV

    2011-01-01

    A bounding radionuclide inventory for the tungsten of the Los Alamos Neutron Science Center (LANSCE) IL Target is calculated. Based on the bounding inventory, the dose resulting from the maximum credible incident (MCI) is calculated for the maximally exposed offsite individual (MEOl). The design basis accident involves tungsten target oxidation following a loss of cooling accident. Also calculated for the bounding radionuclide inventory is the ratio to the LANSCE inventory threshold for purposes of inventory control as described in the target inventory control policy. A bounding radionuclide inventory calculation for the lL Target was completed using the MCNPX and CINDER'90 codes. Continuous beam delivery at 200 {micro}A to 2500 mA{center_dot}h was assumed. The total calculated activity following this irradiation period is 205,000 Ci. The dose to the MEOI from the MCI is 213 mrem for the bounding inventory. The LANSCE inventory control threshold ratio is 132.

  4. Shielding calculations and verifications for the new Radiation Instrument Calibration Facility at Los Alamos National Laboratory

    SciTech Connect (OSTI)

    George, G. L.; Olsher, R. H.; Seagraves, D. T.

    2002-01-01

    MCNP-4C1 was used to perform the shielding design for the new Central Health Physics Calibration Facility (CHPCF) at Los Alamos National Laboratory (LANL). The problem of shielding the facility was subdivided into three separate components: (1) Transmission; (2) Skyshine; and (3) Maze Streaming/ Transmission. When possible, actual measurements were taken to verify calculation results. The comparison of calculation versus measurement results shows excellent agreement for neutron calculations. For photon comparisons, calculations resulted in conservative estimates of the Effective Dose Equivalent (EDE) compared to measured results. This disagreement in the photon measurements versus calculations is most likely due to several conservative assumptions regarding shield density and composition. For example, reinforcing steel bars (Rebar) in the concrete shield walls were not included in the shield model.

  5. Density-functional calculations for rare-earth atoms and ions

    SciTech Connect (OSTI)

    Forstreuter, J.; Steinbeck, L.; Richter, M.; Eschrig, H.

    1997-04-01

    Relativistic local-spin-density (RLSD) and self-interaction-corrected (SIC) RLSD calculations were performed for the whole series of the rare-earth elements. Ionization potentials and radial expectation values with 4f wave functions were calculated. Improvement on nearly all quantities is found for SIC calculations. Comparison with other calculational methods shows that for a description of rare-earth elements SIC-RLSD competes well in accuracy with all of them, including the most accurate quantum-chemical approach. This is important since the SIC calculation has the advantage of being suited for a description of localized f states in solids with a comparatively moderate effort. {copyright} {ital 1997} {ital The American Physical Society}

  6. Dose calculations using MARS for Bremsstrahlung beam stops and collimators in APS beamline stations.

    SciTech Connect (OSTI)

    Dooling, J.; Accelerator Systems Division

    2010-11-01

    The Monte Carlo radiation transport code MARS is used to model the generation of gas bremsstrahlung (GB) radiation from 7-GeV electrons which scatter from residual gas atoms in undulator straight sections within the Advanced Photon Source (APS) storage ring. Additionally, MARS is employed to model the interactions of the GB radiation with components along the x-ray beamlines and then determine the expected radiation dose-rates that result. In this manner, MARS can be used to assess the adequacy of existing shielding or the specifications for new shielding when required. The GB radiation generated in the 'thin-target' of an ID straight section will consist only of photons in a 1/E-distribution up to the full energy of the stored electron beam. Using this analytical model, the predicted GB power for a typical APS 15.38-m insertion device (ID) straight section is 4.59 x 10{sup -7} W/nTorr/mA, assuming a background gas composed of air (Z{sub eff} = 7.31) at room temperature (293K). The total GB power provides a useful benchmark for comparisons between analytical and numerical approaches. We find good agreement between MARS and analytical estimates for total GB power. The extended straight section 'target' creates a radial profile of GB, which is highly peaked centered on the electron beam. The GB distribution reflects the size of the electron beam that creates the radiation. Optimizing the performance of MARS in terms of CPU time per incident trajectory requires the use of a relatively short, high-density gas target (air); in this report, the target density is {rho}L = 2.89 x 10{sup -2} g/cm{sup 2} over a length of 24 cm. MARS results are compared with the contact dose levels reported in TB-20, which used EGS4 for radiation transport simulations. Maximum dose-rates in 1 cc of tissue phantom form the initial basis for comparison. MARS and EGS4 results are approximately the same for maximum 1-cc dose-rates and attenuation in the photon-dominated regions; for thicker targets, however, the dose-rate no longer depends only on photon attenuation, as photoneutrons (PNs) begin to dominate. The GB radiation-induced photoneutron measurements from four different metals (Fe, Cu, W, and Pb) are compared with MARS predictions. The simulated dose-rates for beamline 6-ID are approximately 3-5 times larger than the measured values, whereas those for beamline 11-ID are much closer. Given the uncertainty in local values of pressure and Z, the degree of agreement between MARS and the PN measurements is good. MARS simulations of GB-induced radiation in and around the FOE show the importance of using actual pressure and gas composition (Z{sub eff}) to obtain accurate PN dose. For a beam current of 300 mA, extrapolating pressure data measured in previously published studies predicts an average background gas pressure of 27 nTorr. An average atomic number of Z{sub eff} = 4.0 is obtained from the same studies. In addition, models of copper masks presently in use at the APS are included. Simulations show that inclusion of exit masks make significant differences in both the radiation spatial distribution within the FOE, as well as the peak intensity. Two studies have been conducted with MARS to assess shielding requirements. First, dose levels in contact with the outside wall of the FOE are examined when GB radiation strikes Pb or W beam stops of varying transverse size within the FOE. Four separate phantom regions are utilized to measure the dose, two at beam elevation and two at the horizontal beam position. The first two phantoms are used for scoring FOE dose along the outside and back walls, horizontally; the second two collect dose on the roof and vertically on the back wall. In all cases, the beam stop depth is maintained at 30 cm. Inclusion of front end (FE) exit masks typically cause a 1-2 order-of-magnitude increase in the dose-rates relative to the case with no masks. Masks place secondary bremsstrahlung sources inside the FOE, and therefore they must be shielded appropriately. The MARS model does not fully account for all shielding present

  7. SU-C-9A-04: Alternative Analytic Solution to the Paralyzable Detector Model to Calculate Deadtime and Deadtime Loss

    SciTech Connect (OSTI)

    Siman, W; Kappadath, S

    2014-06-01

    Purpose: Some common methods to solve for deadtime are (1) dual-source method, which assumes two equal activities; (2) model fitting, which requires multiple acquisitions as source decays; and (3) lossless model, which assumes no deadtime loss at low count rates. We propose a new analytic alternative solution to calculate deadtime for paralyzable gamma camera. Methods: Deadtime T can be calculated analytically from two distinct observed count rates M1 and M2 when the ratio of the true count rates alpha=N2/N1 is known. Alpha can be measured as a ratio of two measured activities using dose calibrators or via radioactive decay. Knowledge of alpha creates a system with 2 equations and 2 unknowns, i.e., T and N1. To verify the validity of the proposed method, projections of a non-uniform phantom (4GBq 99mTc) were acquired in using Siemens SymbiaS multiple times over 48 hours. Each projection has >100kcts. The deadtime for each projection was calculated by fitting the data to a paralyzable model and also by using the proposed 2-acquisition method. The two estimates of deadtime were compared using the Bland-Altmann method. In addition, the dependency of uncertainty in T on uncertainty in alpha was investigated for several imaging conditions. Results: The results strongly suggest that the 2-acquisition method is equivalent to the fitting method. The Bland-Altman analysis yielded mean difference in deadtime estimate of ∼0.076us (95%CI: -0.049us, 0.103us) between the 2-acquisition and model fitting methods. The 95% limits of agreement were calculated to be -0.104 to 0.256us. The uncertainty in deadtime calculated using the proposed method is highly dependent on the uncertainty in the ratio alpha. Conclusion: The 2-acquisition method was found to be equivalent to the parameter fitting method. The proposed method offers a simpler and more practical way to analytically solve for a paralyzable detector deadtime, especially during physics testing.

  8. The different adsorption mechanism of methane molecule onto a boron nitride and a graphene flakes

    SciTech Connect (OSTI)

    Seyed-Talebi, Seyedeh Mozhgan; Neek-Amal, M.

    2014-10-21

    Graphene and single layer hexagonal boron-nitride are two newly discovered 2D materials with wonderful physical properties. Using density functional theory, we study the adsorption mechanism of a methane molecule over a hexagonal flake of single layer hexagonal boron-nitride (h-BN) and compare the results with those of graphene. We found that independent of the used functional in our ab-initio calculations, the adsorption energy in the h-BN flake is larger than that for graphene. Despite of the adsorption energy profile of methane over a graphene flake, we show that there is a long range behavior beyond minimum energy in the adsorption energy of methane over h-BN flake. This result reveals the higher sensitivity of h-BN sheet to the adsorption of a typical closed shell molecule with respect to graphene. The latter gives insight in the recent experiments of graphene over hexagonal boron nitride.

  9. Massively-parallel electron dynamics calculations in real-time and real-space: Toward applications to nanostructures of more than ten-nanometers in size

    SciTech Connect (OSTI)

    Noda, Masashi; Ishimura, Kazuya; Nobusada, Katsuyuki; Yabana, Kazuhiro; Boku, Taisuke

    2014-05-15

    A highly efficient program of massively parallel calculations for electron dynamics has been developed in an effort to apply the method to optical response of nanostructures of more than ten-nanometers in size. The approach is based on time-dependent density functional theory calculations in real-time and real-space. The computational code is implemented by using simple algorithms with a finite-difference method in space derivative and Taylor expansion in time-propagation. Since the computational program is free from the algorithms of eigenvalue problems and fast-Fourier-transformation, which are usually implemented in conventional quantum chemistry or band structure calculations, it is highly suitable for massively parallel calculations. Benchmark calculations using the K computer at RIKEN demonstrate that the parallel efficiency of the program is very high on more than 60 000 CPU cores. The method is applied to optical response of arrays of C{sub 60} orderly nanostructures of more than 10 nm in size. The computed absorption spectrum is in good agreement with the experimental observation.

  10. Generalized Subtraction Schemes for the Difference Formulation...

    Office of Scientific and Technical Information (OSTI)

    for the Difference Formulation in Radiation Transport Citation Details In-Document Search Title: Generalized Subtraction Schemes for the Difference Formulation in Radiation ...

  11. OrigenArp Primer: How to Perform Isotopic Depletion and Decay Calculations with SCALE/ORIGEN

    SciTech Connect (OSTI)

    Bowman, Stephen M; Gauld, Ian C

    2010-08-01

    The SCALE (Standardized Computer Analyses for Licensing Evaluation) computer software system developed at Oak Ridge National Laboratory is widely used and accepted around the world for nuclear analyses. ORIGEN-ARP is a SCALE isotopic depletion and decay analysis sequence used to perform point-depletion calculations with the well-known ORIGEN-S code using problem-dependent cross sections. Problem-dependent cross-section libraries are generated using the ARP (Automatic Rapid Processing) module using an interpolation algorithm that operates on pre-generated libraries created for a range of fuel properties and operating conditions. Methods are provided in SCALE to generate these libraries using one-, two-, and three-dimensional transport codes. The interpolation of cross sections for uranium-based fuels may be performed for the variables burnup, enrichment, and water density. An option is also available to interpolate cross sections for mixed-oxide (MOX) fuels using the variables burnup, plutonium content, plutonium isotopic vector, and water moderator density. This primer is designed to help a new user understand and use ORIGEN-ARP with the OrigenArp Windows graphical user interface in SCALE. It assumes that the user has a college education in a technical field. There is no assumption of familiarity with nuclear depletion codes in general or with SCALE/ORIGEN-ARP in particular. The primer is based on SCALE 6 but should be applicable to earlier or later versions of SCALE. Information is included to help new users, along with several sample problems that walk the user through the different input forms and menus and illustrate the basic features. References to related documentation are provided. The primer provides a starting point for the nuclear analyst who uses SCALE/ORIGEN-ARP. Complete descriptions are provided in the SCALE documentation. Although the primer is self-contained, it is intended as a companion volume to the SCALE documentation. The SCALE Manual is provided on the SCALE installation DVD.

  12. ELECTRON-ION RECOMBINATION OF Fe XII FORMING Fe XI: LABORATORY MEASUREMENTS AND THEORETICAL CALCULATIONS

    SciTech Connect (OSTI)

    Novotny, O.; Hahn, M.; Lestinsky, M.; Savin, D. W.; Badnell, N. R.; Bernhardt, D.; Mueller, A.; Schippers, S.; Grieser, M.; Krantz, C.; Repnow, R.; Wolf, A.

    2012-07-01

    We have measured electron-ion recombination for Fe XII forming Fe XI using a merged-beam configuration at the heavy-ion storage ring TSR located at the Max Planck Institute for Nuclear Physics in Heidelberg, Germany. The measured merged-beam recombination rate coefficient (MBRRC) for collision energies from 0 to 1500 eV is presented. This work uses a new method for determining the absolute MBRRC based on a comparison of the ion beam decay rate with and without the electron beam on. For energies below 75 eV, the spectrum is dominated by dielectronic recombination (DR) resonances associated with 3s {yields} 3p and 3p {yields} 3d core excitations. At higher energies, we observe contributions from 3 {yields} N' and 2 {yields} N' core excitation DR. We compare our experimental results to state-of-the-art multi-configuration Breit-Pauli (MCBP) calculations and find significant differences, both in resonance energies and strengths. We have extracted the DR contributions from the measured MBRRC data and transformed them into a plasma recombination rate coefficient (PRRC) for temperatures in the range of 10{sup 3}-10{sup 7} K. We show that the previously recommended DR data for Fe XII significantly underestimate the PRRC at temperatures relevant for both photoionized plasmas (PPs) and collisionally ionized plasmas (CPs). This is contrasted with our MCBP PRRC results, which agree with the experiment to within 30% at PP temperatures and even better at CP temperatures. We find this agreement despite the disagreement shown by the detailed comparison between our MCBP and experimental MBRRC results. Last, we present a simple parameterized form of the experimentally derived PRRC for easy use in astrophysical modeling codes.

  13. Equation of State from Lattice QCD Calculations (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Conference: Equation of State from Lattice QCD Calculations Citation Details In-Document Search Title: Equation of State from Lattice QCD Calculations We provide a status report on the calculation of the Equation of State (EoS) of QCD at finite temperature using lattice QCD. Most of the discussion will focus on comparison of recent results obtained by the HotQCD and Wuppertal-Budapest collaborations. We will show that very significant progress has been made towards obtaining high

  14. Microscopic Calculation of 240Pu Scission with a Finite-Range Effective

    Office of Scientific and Technical Information (OSTI)

    Force (Journal Article) | SciTech Connect Journal Article: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Citation Details In-Document Search Title: Microscopic Calculation of 240Pu Scission with a Finite-Range Effective Force Hartree-Fock-Bogoliubov calculations of hot fission in {sup 240}Pu have been performed with a newly-implemented code that uses the D1S finite-range effective interaction. The hot-scission line is identified in the

  15. Instantaneous-shape sampling for calculation of the electromagnetic dipole strength in transitional nuclei

    SciTech Connect (OSTI)

    Zhang, S. Q.; Doenau, F.; Kaempfer, B.; Schwengner, R.; Wagner, A.; Bentley, I.; Frauendorf, S.; Brant, S.

    2009-08-15

    Electromagnetic dipole absorption cross sections of transitional nuclei with large-amplitude shape fluctuations are calculated in a microscopic way by introducing the concept of instantaneous-shape sampling, which is based on slow shape dynamics as compared with fast dipole vibrations. The dipole strength is calculated by means of the quasiparticle random-phase approximation (QRPA) for the instantaneous shapes, the probability of which is obtained by means of the interacting boson approximation. The calculations agree well with the experimental photoabsorption cross sections near the nucleon emission threshold, but they underestimate it at low energies. The cumulative cross sections for the region below the threshold are a factor of 2 too low.

  16. Calculation of the Naval Long and Short Waste Package Three-Dimensional Thermal Interface Temperatures

    SciTech Connect (OSTI)

    H. Marr

    2006-10-25

    The purpose of this calculation is to evaluate the thermal performance of the Naval Long and Naval Short spent nuclear fuel (SNF) waste packages (WP) in the repository emplacement drift. The scope of this calculation is limited to the determination of the temperature profiles upon the surfaces of the Naval Long and Short SNF waste package for up to 10,000 years of emplacement. The temperatures on the top of the outside surface of the naval canister are the thermal interfaces for the Naval Nuclear Propulsion Program (NNPP). The results of this calculation are intended to support Licensing Application design activities.

  17. A method to calculate fission-fragment yields Y(Z,N) versus proton and

    Office of Scientific and Technical Information (OSTI)

    neutron number in the Brownian shape-motion model (Journal Article) | SciTech Connect A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model Citation Details In-Document Search This content will become publicly available on December 23, 2016 Title: A method to calculate fission-fragment yields Y(Z,N) versus proton and neutron number in the Brownian shape-motion model In this study, we propose a method to calculate the

  18. Structure and properties of electronic and hole centers in CsBr from theoretical calculations

    SciTech Connect (OSTI)

    Halliday, Matthew T.; Hess, Wayne P.; Shluger, Alexander L.

    2015-06-24

    The electronic structure, geometry, diffusion barriers and optical properties of fundamental defects of CsBr are calculated using hybrid functional DFT and TD- DFT methods. The B3LYP functional with a modified exchange contribution has been used in an embedded cluster scheme to model the structure and spectroscopic properties of self-trapped triplet exciton, interstitial Br atoms and ions, self-trapped holes and Br vacancies. The calculated migration barriers and positions of maxima of optical absorption bands are in good agreement with experiment, justifying the obtained defect geometries. The o*-center triplet exciton luminescence energy is also accurately calculated.

  19. Combined local-density and dynamical mean field theory calculations for the

    Office of Scientific and Technical Information (OSTI)

    compressed lanthanides Ce, Pr, and Nd (Journal Article) | SciTech Connect Journal Article: Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd Citation Details In-Document Search Title: Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd This paper reports calculations for compressed Ce (4f{sup 1}), Pr (4f{sup 2}), and Nd (4f{sup 3}) using a combination of the

  20. Comparison of Different Internal Dosimetry Systems for Selected Radionuclides Important to Nuclear Power Production

    SciTech Connect (OSTI)

    Leggett, Richard Wayne; Eckerman, Keith F; Manger, Ryan P

    2013-08-01

    This report compares three different radiation dosimetry systems currently applied by various U.S. Federal agencies and dose estimates based on these three dosimetry systems for a set of radionuclides often identified in power reactor effluents. These dosimetry systems were developed and applied by the International Commission on Radiological Protection at different times over the past six decades. Two primary modes of intake of radionuclides are addressed: ingestion in drinking water and inhalation. Estimated doses to individual organs and to the whole body based on each dosimetry system are compared for each of four age groups: infant, child, teenager, and adult. Substantial differences between dosimetry systems in estimated dose per unit intake are found for some individual radionuclides, but differences in estimated dose per unit intake generally are modest for mixtures of radionuclides typically found in nuclear power plant effluents.

  1. Quantum mechanical calculations of state-to-state cross sections and rate constants for the F + DCl → Cl + DF reaction

    SciTech Connect (OSTI)

    Bulut, Niyazi; Kłos, Jacek; Roncero, Octavio

    2015-06-07

    We present accurate state-to-state quantum wave packet calculations of integral cross sections and rate constants for the title reaction. Calculations are carried out on the best available ground 1{sup 2}A′ global adiabatic potential energy surface of Deskevich et al. [J. Chem. Phys. 124, 224303 (2006)]. Converged state-to-state reaction cross sections have been calculated for collision energies up to 0.5 eV and different initial rotational and vibrational excitations, DCl(v = 0, j = 0 − 1; v = 1, j = 0). Also, initial-state resolved rate constants of the title reaction have been calculated in a temperature range of 100-400 K. It is found that the initial rotational excitation of the DCl molecule does not enhance reactivity, in contract to the reaction with the isotopologue HCl in which initial rotational excitation produces an important enhancement. These differences between the isotopologue reactions are analyzed in detail and attributed to the presence of resonances for HCl(v = 0, j), absent in the case of DCl(v = 0, j). For vibrational excited DCl(v = 1, j), however, the reaction cross section increases noticeably, what is also explained by another resonance.

  2. SU-E-T-59: Calculations of Collimator Scatter Factors (Sc) with and Without Custom-Made Build-Up Caps for CyberKnife

    SciTech Connect (OSTI)

    Wokoma, S; Yoon, J; Jung, J; Lee, S

    2014-06-01

    Purpose: To investigate the impact of custom-made build-up caps for a diode detector in robotic radiosurgery radiation fields with variable collimator (IRIS) for collimator scatter factor (Sc) calculation. Methods: An acrylic cap was custom-made to fit our SFD (IBA Dosimetry, Germany) diode detector. The cap has thickness of 5 cm, corresponding to a depth beyond electron contamination. IAEA phase space data was used for beam modeling and DOSRZnrc code was used to model the detector. The detector was positioned at 80 cm source-to-detector distance. Calculations were performed with the SFD, with and without the build-up cap, for clinical IRIS settings ranging from 7.5 to 60 mm. Results: The collimator scatter factors were calculated with and without 5 cm build-up cap. They were agreed within 3% difference except 15 mm cone. The Sc factor for 15 mm cone without buildup was 13.2% lower than that with buildup. Conclusion: Sc data is a critical component in advanced algorithms for treatment planning in order to calculate the dose accurately. After incorporating build-up cap, we discovered differences of up to 13.2 % in Sc factors in the SFD detector, when compared against in-air measurements without build-up caps.

  3. Steam Technical Brief: How to Calculate the True Cost of Steam

    SciTech Connect (OSTI)

    2010-06-25

    This BestPractice Steam Technical Brief helps you calculate the true cost of steam. Knowing the correct cost is important for many reasons and all of them have to do with improving the company's bottom line.

  4. Application Of A Spherical-Radial Heat Transfer Model To Calculate...

    Open Energy Info (EERE)

    A Spherical-Radial Heat Transfer Model To Calculate Geothermal Gradients From Measurements In Deep Boreholes Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  5. Improvements in transport calculations by the optimized multigroup libraries for fast neutron systems

    SciTech Connect (OSTI)

    Mosca, P.; Mounier, C.; Bellier, P.; Zmijarevic, I.

    2012-07-01

    This paper shows how to improve the accuracy of the transport calculations using in the APOLLO2 code the optimized multigroup libraries calculated by AEMC for fast neutron systems. These ameliorations concern the fission source calculation and the self-shielding models. The calculation of the fission source was generalized to fission spectra including an incident neutron energy dependence. The subgroup self-shielding model was updated for a mixture of resonant nuclides. Some tests on a Pu-239 sphere without reflectors and a fast sodium cell show that the use of four fission spectra guarantees a correct representation of the fission source. The test on a Pu-239 sphere with a thick steel reflector proves that the subgroup self-shielding, accounting for the mutual shielding of several resonant nuclides, allows us to improve the accuracy of the neutron transport solution in the reflector. (authors)

  6. Calculation notes that support accident scenario and consequence development for the subsurface leak remaining subsurface accident

    SciTech Connect (OSTI)

    Ryan, G.W., Westinghouse Hanford

    1996-07-12

    This document supports the development and presentation of the following accident scenario in the TWRS Final Safety Analysis Report: Subsurface Leak Remaining Subsurface. The calculations needed to quantify the risk associated with this accident scenario are included within.

  7. Calculation notes that support accident scenario and consequence determination of a waste tank criticality

    SciTech Connect (OSTI)

    Crowe, R.D., Westinghouse Hanford

    1996-08-02

    The purpose of this calculation note is to provide the basis forcriticality consequences for the Tank Farm Safety Analysis Report(FSAR). Criticality scenario is developed and details and description of the analysis methods are provided.

  8. Calculation notes that support accident scenario and consequence development for the subsurface leak remaining subsurface accident

    SciTech Connect (OSTI)

    Ryan, G.W., Westinghouse Hanford

    1996-09-19

    This document supports the development and presentation of the following accident scenario in the TWRS Final Safety Analysis Report: Subsurface Leak Remaining Subsurface. The calculations needed to quantify the risk associated with this accident scenario are included within.

  9. Calculation notes that support accident scenario and consequence of the evaporator dump

    SciTech Connect (OSTI)

    Crowe, R.D., Westinghouse Hanford

    1996-09-09

    The purpose of this calculation note is to provide the basis for evaporator dump consequence for the Tank Farm Safety Analysis Report (FSAR). Evaporator Dump scenario is developed and details and description of the analysis methods are provided.

  10. Calculation notes that support accident scenario and consequence of the evaporator dump

    SciTech Connect (OSTI)

    Crowe, R.D.

    1996-09-27

    The purpose of this calculation note is to provide the basis for evaporator dump consequence for the Tank Farm Safety Analysis Report (FSAR). Evaporator Dump scenario is developed and details and description of the analysis methods are provided.

  11. Calculation notes for surface leak resulting in pool, TWRS FSAR accident analysis

    SciTech Connect (OSTI)

    Hall, B.W.

    1996-09-25

    This document includes the calculations performed to quantify the risk associated with the unmitigated and mitigated accident scenarios described in the TWRS FSAR for the accident analysis titled: Surface Leaks Resulting in Pool.

  12. Development of radiological concentrations and unit liter doses for TWRS FSAR radiological consequence calculations

    SciTech Connect (OSTI)

    Cowley, W.L.

    1996-04-25

    The analysis described in this report develops the Unit Liter Doses for use in the TWRS FSAR. The Unit Liter Doses provide a practical way to calculate conservative radiological consequences for a variety of potential accidents for the tank farms.

  13. Calculation Notes for Subsurface Leak Resulting in Pool, TWRS FSAR Accident Analysis

    SciTech Connect (OSTI)

    Hall, B.W.

    1996-09-25

    This document includes the calculations performed to quantify the risk associated with the unmitigated and mitigated accident scenarios described in the TWRS FSAR for the accident analysis titled: Subsurface Leaks Resulting in Pool.

  14. Simple extrapolation method to predict the electronic structure of conjugated polymers from calculations on oligomers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Larsen, Ross E.

    2016-04-12

    In this study, we introduce two simple tight-binding models, which we call fragment frontier orbital extrapolations (FFOE), to extrapolate important electronic properties to the polymer limit using electronic structure calculations on only a few small oligomers. In particular, we demonstrate by comparison to explicit density functional theory calculations that for long oligomers the energies of the highest occupied molecular orbital (HOMO), the lowest unoccupied molecular orbital (LUMO), and of the first electronic excited state are accurately described as a function of number of repeat units by a simple effective Hamiltonian parameterized from electronic structure calculations on monomers, dimers and, optionally,more » tetramers. For the alternating copolymer materials that currently comprise some of the most efficient polymer organic photovoltaic devices one can use these simple but rigorous models to extrapolate computed properties to the polymer limit based on calculations on a small number of low-molecular-weight oligomers.« less

  15. Comment on 'Dirac R-matrix method for the calculation of x-ray...

    Office of Scientific and Technical Information (OSTI)

    Title: Comment on 'Dirac R-matrix method for the calculation of x-ray line polarization' ... this quantity to be relatively insensitive to the size and details of the atomic model. ...

  16. TEMP: a computer code to calculate fuel pin temperatures during a transient. [LMFBR

    SciTech Connect (OSTI)

    Bard, F E; Christensen, B Y; Gneiting, B C

    1980-04-01

    The computer code TEMP calculates fuel pin temperatures during a transient. It was developed to accommodate temperature calculations in any system of axi-symmetric concentric cylinders. When used to calculate fuel pin temperatures, the code will handle a fuel pin as simple as a solid cylinder or as complex as a central void surrounded by fuel that is broken into three regions by two circumferential cracks. Any fuel situation between these two extremes can be analyzed along with additional cladding, heat sink, coolant or capsule regions surrounding the fuel. The one-region version of the code accurately calculates the solution to two problems having closed-form solutions. The code uses an implicit method, an explicit method and a Crank-Nicolson (implicit-explicit) method.

  17. Webinar: Using the RTU Comparison Calculator to Justify High-Efficiency Units

    Broader source: Energy.gov [DOE]

    The Advanced Rooftop Unit (RTU) Campaign is working with the Pacific Northwest National Laboratory (PNNL) to update its RTU Comparison Calculator (RTUCC). Join this webinar to learn how contractors...

  18. Simple rule can be used to calculate friction loss in piping

    SciTech Connect (OSTI)

    Durand, A.A.

    1997-05-26

    A simple rule for calculating friction loss in piping has been developed. Called the Rule of Fours, it is designed to be easily memorized for use in the field. For determining pressure loss in piping, friction-loss tables are often more convenient than calculating the Reynolds number or finding the friction factor on a Moody chart, then calculating the friction loss by the Darcy or Fanning relationships. Friction-loss tables can be found in the Crane Technical Paper, Hydraulic Institute Engineering Data Book, and several other references. There are occasions, however, when such tables are not readily available to the engineer trying to estimate pressure drop in fluid flowing through pipelines. Because friction loss is essentially a point function, it is only necessary to determine the pressure drop for a given set of conditions. The author has developed a simple rule for such calculations.

  19. Infrared and Raman spectra, DFT-calculations and spectral assignments of germacyclohexane

    SciTech Connect (OSTI)

    Aleksa, V. Ozerenskis, D.; Pucetaite, M.; Sablinskas, V.; Cotter, C.; Guirgis, G. A.

    2015-03-30

    Raman spectra of germacyclohexane in liquid and solid states were recorded and depolarization data obtained. Infrared absorption spectra of the vapor and liquid have been studied. The wavenumbers of the vibrational modes were derived in the harmonic and anharmonic approximation in B3LYP/ccpVTZ calculations. According to the calculations, germacyclohexane exists in the stable chair conformation, whereas a possible twist form should have more than 15 kJ·mol{sup -1} higher enthalpy of formation what makes this conformer experimentally not observable. The 27 A' and 21 A'' fundamentals were assigned on the basis of the calculations and infrared and Raman band intensities, contours of gas phase infrared spectral bands and Raman depolarization measurements. An average discrepancy of ca. 0.77 % was found between the observed and the calculated anharmonic wavenumbers for the 48 modes. Substitution of carbon atom with Ge atom in the cyclohexane ring is reasoning flattening of the ring.

  20. Calculation notes that support accident scenario and consequence determination of a waste tank criticality

    SciTech Connect (OSTI)

    Crowe, R.D.

    1996-09-27

    The purpose of this calculation note is to provide the basis for criticality consequences for the Tank Farm Safety Analysis Report (FSAR). Criticality scenario is developed and details and description of the analysis methods are provided.

  1. Fragment Yields Calculated in a Time-Dependent Microscopic Theory of

    Office of Scientific and Technical Information (OSTI)

    Fission (Technical Report) | SciTech Connect Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Citation Details In-Document Search Title: Fragment Yields Calculated in a Time-Dependent Microscopic Theory of Fission Authors: Younes, W ; Gogny, D Publication Date: 2012-09-28 OSTI Identifier: 1053671 Report Number(s): LLNL-TR-586678 DOE Contract Number: W-7405-ENG-48 Resource Type: Technical Report Research Org: Lawrence Livermore National Laboratory (LLNL),

  2. Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the

    Office of Scientific and Technical Information (OSTI)

    National Compact Stellarator Experiment (Conference) | SciTech Connect Conference: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the National Compact Stellarator Experiment Citation Details In-Document Search Title: Magnetic Field Line Tracing Calculations for Conceptual PFC Design in the National Compact Stellarator Experiment The National Compact Stellarator Experiment (NCSX) is a three-field period compact stellarator presently in the construction phase at

  3. Ab Initio Calculations of Light-Ion Fusion Reactions (Conference) | SciTech

    Office of Scientific and Technical Information (OSTI)

    Connect Ab Initio Calculations of Light-Ion Fusion Reactions Citation Details In-Document Search Title: Ab Initio Calculations of Light-Ion Fusion Reactions Authors: Hupin, G ; Quaglioni, S ; Navratil, P Publication Date: 2012-09-11 OSTI Identifier: 1248279 Report Number(s): LLNL-PROC-580635 DOE Contract Number: AC52-07NA27344 Resource Type: Conference Resource Relation: Conference: Presented at: Nuclear Structure and Dynamics II, Opatija, Croatia, Jul 09 - Jul 13, 2012

  4. Ab initio calculations of light-ion fusion reactions (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Journal Article: Ab initio calculations of light-ion fusion reactions Citation Details In-Document Search Title: Ab initio calculations of light-ion fusion reactions The exact treatment of nuclei starting from the constituent nucleons and the fundamental interactions among them has been a long-standing goal in nuclear physics. Above all nuclear scattering and reactions, which require the solution of the many-body quantum-mechanical problem in the continuum, represent an

  5. Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report):

    Office of Scientific and Technical Information (OSTI)

    ALCF-2 Early Science Program Technical Report (Technical Report) | SciTech Connect Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Citation Details In-Document Search Title: Ab-initio Reaction Calculations for Carbon-12 (ESP Technical Report): ALCF-2 Early Science Program Technical Report Authors: Lovato, A. ; Pieper, S.C. [1] ; PHY) [2] + Show Author Affiliations (LCF) ( Publication Date: 2013-05-13 OSTI Identifier: 1079770

  6. Calculation of diatomic molecules with the lctoc method. Excited states of some homonuclear molecules and ions

    SciTech Connect (OSTI)

    Kirnos, V.N.; Samsonov, B.V.; Cheglokov, E.I.

    1988-02-01

    Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three- and four-electron compounds: H/sub 2//sup -/, He/sub 2//sup +/, He/sub 2/, Li/sub 2//sup +2/. High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.

  7. Project W-320, 241-C-106 sluicing HVAC calculations, Volume 1

    SciTech Connect (OSTI)

    Bailey, J.W.

    1998-08-07

    This supporting document has been prepared to make the FDNW calculations for Project W-320, readily retrievable. The report contains the following calculations: Exhaust airflow sizing for Tank 241-C-106; Equipment sizing and selection recirculation fan; Sizing high efficiency mist eliminator; Sizing electric heating coil; Equipment sizing and selection of recirculation condenser; Chiller skid system sizing and selection; High efficiency metal filter shielding input and flushing frequency; and Exhaust skid stack sizing and fan sizing.

  8. Remarks on calculation of positron flux from galactic dark matter (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Remarks on calculation of positron flux from galactic dark matter Citation Details In-Document Search Title: Remarks on calculation of positron flux from galactic dark matter Energetic positrons produced in annihilation or decay of dark matter particles in the Milky Way can serve as an important indirect signature of dark matter. Computing the positron flux expected in a given dark matter model involves solving transport equations, which account for interaction of

  9. QRPA Calculations for Spherical and Deformed Nuclei With the Gogny Force

    SciTech Connect (OSTI)

    Peru, S.

    2009-08-26

    Fully consistent axially-symmetric-deformed Quasi-particle Random Phase Approximation (QRPA) calculations have been performed with the D1S Gogny force. Dipole responses have been calculated in Ne isotopes to study the existence of soft dipole modes in exotic nuclei. A comparison between QRPA and generator coordinate method with Gaussian overlap approximation results is done for low lying 2{sup +} states in N = 16 isotones and Ni isotopes.

  10. Erratum: Leading-order calculation of electric conductivity in hot quantum

    Office of Scientific and Technical Information (OSTI)

    electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014 (2007)] (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Erratum: Leading-order calculation of electric conductivity in hot quantum electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014 (2007)] Citation Details In-Document Search Title: Erratum: Leading-order calculation of electric conductivity in hot quantum electrodynamics from diagrammatic methods [Phys. Rev. D 75, 025014

  11. Water Power Calculator Temperature and Analog Input/Output Module Ambient Temperature Testing

    SciTech Connect (OSTI)

    Mark D. McKay

    2011-02-01

    Water Power Calculator Temperature and Analog input/output Module Ambient Temperature Testing A series of three ambient temperature tests were conducted for the Water Power Calculator development using the INL Calibration Laboratorys Tenney Environmental Chamber. The ambient temperature test results demonstrate that the Moore Industries Temperature Input Modules, Analog Input Module and Analog Output Module, ambient temperature response meet or exceed the manufactures specifications

  12. A probabilistic approach to calculating AC induction levels on power line collocated pipelines

    SciTech Connect (OSTI)

    Dabkowski, J. [Electro Sciences, Inc., Crystal Lake, IL (United States)

    1995-12-01

    For calculating induced voltage levels on pipelines paralleling overhead power lines available computational methods assume that the line circuit currents are balanced, i.e., equal. In this paper probabilistic computational methods are used to calculate induction levels for the more realistic assumption that the line currents carry a small randomly fluctuating component, and therefore, are unbalanced. Results show that limiting consideration to the balanced currents case can result in substantially underestimated induced voltage levels on the pipeline.

  13. Methodology for Calculating Spectral Surface Albedo Using ARM MFSR and MFR

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Data Methodology for Calculating Spectral Surface Albedo Using ARM MFSR and MFR Data Gaustad, Krista Pacific Northwest National Laboratory Long, Chuck Pacific Northwest National Laboratory Category: Radiation This poster will describe a methodology for identifying the best estimate downwelling and upwelling irradiance measurements for use in calculating a global and spectral albedo for the area located near the SGP ARM's central facility 10m tower. The best estimate MFRSR downwelling global

  14. Accurate Band-Structure Calculations for the 3d Transition Metal Oxides

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    has developed a method to calculate accurate band structures and bandgap energies for 3d transition metal oxides using an augmented GW formalism. Significance and Impact This approach provides a computationally viable route for high-throughput prediction of band structures and optical properties in transition metal compounds. Accurate Band-Structure Calculations for the 3d Transition Metal Oxides S. Lany, Phys. Rev. B 87, 085112 (2013). Density of states (DOS) and absorption spectrum, shown for

  15. A GPU-based Calculation Method for Near Field Effects of Cherenkov

    Office of Scientific and Technical Information (OSTI)

    Radiation Induced by Ultra High Energy Cosmic Neutrinos (Conference) | SciTech Connect SciTech Connect Search Results Conference: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Citation Details In-Document Search Title: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Authors: Hu, Chia-Yu ; Chen, Chih-Ching ; /Taiwan, Natl. Taiwan U. ; Chen,

  16. Energy Cost Calculator for Commercial Heat Pumps (5.4 >=< 20 Tons) |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Heat Pumps (5.4 >=< 20 Tons) Energy Cost Calculator for Commercial Heat Pumps (5.4 >=< 20 Tons) Vary equipment size, energy cost, hours of operation, and /or efficiency level. INPUT SECTION Input the following data (if any parameter is missing, calculator will set to default value). Defaults Project Type New Installation Replacement New Installation Condenser Type Air Source Water Source Air Source Existing Capacity * ton - Existing Cooling Efficiency * EER -

  17. Comparison of TRAC-BF1 calculations with the LaSalle 2 instability event

    SciTech Connect (OSTI)

    Larson, J.R.

    1993-05-01

    In March of 1988 the LaSalle 2 BWR, while at about 85 percent power, was exposed to a loss of both recirculation pumps providing drive flow to the jet pumps. Within a few minutes the reactor power began to oscillate, resulting in an overpower scram. This report presents results of calculations performed with the TRAC-BF1 code to assess the capability of the code to calculate the observed behavior of the LaSalle plant during the event.

  18. Verification study of thorium cross section in MVP calculation of thorium

    Office of Scientific and Technical Information (OSTI)

    based fuel core using experimental data (Conference) | SciTech Connect Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data Citation Details In-Document Search Title: Verification study of thorium cross section in MVP calculation of thorium based fuel core using experimental data Considering the importance of thorium data and concerning about the accuracy of Th-232 cross section library, a series of experiments of thorium critical

  19. XOP : a graphical user interface for spectral calculations and x-ray optics

    Office of Scientific and Technical Information (OSTI)

    utilities. (Journal Article) | SciTech Connect XOP : a graphical user interface for spectral calculations and x-ray optics utilities. Citation Details In-Document Search Title: XOP : a graphical user interface for spectral calculations and x-ray optics utilities. No abstract prepared. Authors: Dejus, R. J. ; Sanchez del Rio, M. ; XFD Publication Date: 1996-09-01 OSTI Identifier: 15003303 DOE Contract Number: W-31-109-ENG-38 Resource Type: Journal Article Resource Relation: Journal Name:

  20. Vacuum polarization calculations for hydrogenlike and alkali-metal-like ions

    SciTech Connect (OSTI)

    Sapirstein, J.; Cheng, K.T.

    2003-10-01

    Complete vacuum polarization calculations incorporating finite nuclear size are presented for hydrogenic ions with principal quantum numbers n=1-5. Lithiumlike, sodiumlike, and copperlike ions are also treated starting with Kohn-Sham potentials, and including first-order screening corrections. In both cases dominant Uehling terms are calculated with high accuracy, and smaller Wichmann-Kroll terms are obtained using numerical electron Green's functions.