Science.gov

Sample records for energy analysis simulations

  1. Methodology for Validating Building Energy Analysis Simulations

    SciTech Connect

    Judkoff, R.; Wortman, D.; O'Doherty, B.; Burch, J.

    2008-04-01

    The objective of this report was to develop a validation methodology for building energy analysis simulations, collect high-quality, unambiguous empirical data for validation, and apply the validation methodology to the DOE-2.1, BLAST-2MRT, BLAST-3.0, DEROB-3, DEROB-4, and SUNCAT 2.4 computer programs. This report covers background information, literature survey, validation methodology, comparative studies, analytical verification, empirical validation, comparative evaluation of codes, and conclusions.

  2. Energy Navigation: Simulation Evaluation and Benefit Analysis

    NASA Technical Reports Server (NTRS)

    Williams, David H.; Oseguera-Lohr, Rosa M.; Lewis, Elliot T.

    2011-01-01

    This paper presents results from two simulation studies investigating the use of advanced flight-deck-based energy navigation (ENAV) and conventional transport-category vertical navigation (VNAV) for conducting a descent through a busy terminal area, using Continuous Descent Arrival (CDA) procedures. This research was part of the Low Noise Flight Procedures (LNFP) element within the Quiet Aircraft Technology (QAT) Project, and the subsequent Airspace Super Density Operations (ASDO) research focus area of the Airspace Project. A piloted simulation study addressed development of flight guidance, and supporting pilot and Air Traffic Control (ATC) procedures for high density terminal operations. The procedures and charts were designed to be easy to understand, and to make it easy for the crew to make changes via the Flight Management Computer Control-Display Unit (FMC-CDU) to accommodate changes from ATC.

  3. Analysis and Simulation of a Blue Energy Cycle

    DOE PAGESBeta

    Sharma, Ms. Ketki; Kim, Yong-Ha; Yiacoumi, Sotira; Gabitto, Jorge; Bilheux, Hassina Z.; Santodonato, Louis J.; Mayes, Richard T.; Dai, Sheng; Tsouris, Costas

    2016-01-30

    The mixing process of fresh water and seawater releases a significant amount of energy and is a potential source of renewable energy. The so called ‘blue energy’ or salinity-gradient energy can be harvested by a device consisting of carbon electrodes immersed in an electrolyte solution, based on the principle of capacitive double layer expansion (CDLE). In this study, we have investigated the feasibility of energy production based on the CDLE principle. Experiments and computer simulations were used to study the process. Mesoporous carbon materials, synthesized at the Oak Ridge National Laboratory, were used as electrode materials in the experiments. Neutronmore » imaging of the blue energy cycle was conducted with cylindrical mesoporous carbon electrodes and 0.5 M lithium chloride as the electrolyte solution. For experiments conducted at 0.6 V and 0.9 V applied potential, a voltage increase of 0.061 V and 0.054 V was observed, respectively. From sequences of neutron images obtained for each step of the blue energy cycle, information on the direction and magnitude of lithium ion transport was obtained. A computer code was developed to simulate the process. Experimental data and computer simulations allowed us to predict energy production.« less

  4. Regional Dynamic Simulation Modeling and Analysis of Integrated Energy Futures

    SciTech Connect

    MALCZYNSKI, LEONARD A.; BEYELER, WALTER E.; CONRAD, STEPHEN H.; HARRIS, DAVID B; REXROTH, PAUL E.; BAKER, ARNOLD B.

    2002-11-01

    The Global Energy Futures Model (GEFM) is a demand-based, gross domestic product (GDP)-driven, dynamic simulation tool that provides an integrated framework to model key aspects of energy, nuclear-materials storage and disposition, environmental effluents from fossil and non fossil energy and global nuclear-materials management. Based entirely on public source data, it links oil, natural gas, coal, nuclear and renewable energy dynamically to greenhouse-gas emissions and 12 other measures of environmental impact. It includes historical data from 1990 to 2000, is benchmarked to the DOE/EIA/IEO 2001 [5] Reference Case for 2000 to 2020, and extrapolates energy demand through the year 2050. The GEFM is globally integrated, and breaks out five regions of the world: United States of America (USA), the Peoples Republic of China (China), the former Soviet Union (FSU), the Organization for Economic Cooperation and Development (OECD) nations excluding the USA (other industrialized countries), and the rest of the world (ROW) (essentially the developing world). The GEFM allows the user to examine a very wide range of ''what if'' scenarios through 2050 and to view the potential effects across widely dispersed, but interrelated areas. The authors believe that this high-level learning tool will help to stimulate public policy debate on energy, environment, economic and national security issues.

  5. Survey and Analysis of Weather Data for Building Energy Simulations

    SciTech Connect

    Bhandari, Mahabir S; Shrestha, Som S; New, Joshua Ryan

    2012-01-01

    In recent years, calibrated energy modeling of residential and commercial buildings has gained importance in a retrofit-dominated market. Accurate weather data plays an important role in this calibration process and projected energy savings. It would be ideal to measure weather data at the building location to capture relevant microclimate variation but this is generally considered cost-prohibitive. There are data sources publicly available with high temporal sampling rates but at relatively poor geospatial sampling locations. To overcome this limitation, there are a growing number of service providers that claim to provide real time and historical weather data for 20-35 km2 grid across the globe. Unfortunately, there is limited documentation from 3rd-party sources attesting to the accuracy of this data. This paper compares provided weather characteristics with data collected from a weather station inaccessible to the service providers. Monthly average dry bulb temperature; relative humidity; direct, diffuse and horizontal solar radiation; and wind speed are statistically compared. Moreover, we ascertain the relative contributions of each weather variable and its impact on building loads. Annual simulations are calculated for three different building types, including a closely monitored and automated energy efficient research building. The comparison shows that the difference for an individual variable can be as high as 90%. In addition, annual building energy consumption can vary by 7% while monthly building loads can vary by 40% as a function of the provided location s weather data.

  6. Spatial analysis of world energy markets: estimation of the demand for energy and variable supply simulation

    SciTech Connect

    Al-Sahlawi, M.A.

    1985-01-01

    This study develops a theoretical and empirical model to estimate the demand for oil, natural gas, and coal in the developing countries and to then simulate the response of spatially separated world energy markets to supply shocks. It is found that the demands for oil, natural gas, and coal in the developing countries are highly priced inelastic in the short-run. This is in keeping with elasticity estimates for the developed countries. The model simulates two kinds of supply shocks, first; partial blocking of the Strait of Hormuz, and second; return of Iraq and Iran oil supplies to their pre-war levels. Additionally, the impact of economic growth on energy demand is simulated when supplies are variable. The simulation results reveals that the problem of having oil supply disruption or oil supply surplus seems to create problems that can be solved by varying the supplies of energy substitutes. However, the impact of economic growth appears to be minimal.

  7. Building energy analysis of Electrical Engineering Building from DesignBuilder tool: calibration and simulations

    NASA Astrophysics Data System (ADS)

    Cárdenas, J.; Osma, G.; Caicedo, C.; Torres, A.; Sánchez, S.; Ordóñez, G.

    2016-07-01

    This research shows the energy analysis of the Electrical Engineering Building, located on campus of the Industrial University of Santander in Bucaramanga - Colombia. This building is a green pilot for analysing energy saving strategies such as solar pipes, green roof, daylighting, and automation, among others. Energy analysis was performed by means of DesignBuilder software from virtual model of the building. Several variables were analysed such as air temperature, relative humidity, air velocity, daylighting, and energy consumption. According to two criteria, thermal load and energy consumption, critical areas were defined. The calibration and validation process of the virtual model was done obtaining error below 5% in comparison with measured values. The simulations show that the average indoor temperature in the critical areas of the building was 27°C, whilst relative humidity reached values near to 70% per year. The most critical discomfort conditions were found in the area of the greatest concentration of people, which has an average annual temperature of 30°C. Solar pipes can increase 33% daylight levels into the areas located on the upper floors of the building. In the case of the green roofs, the simulated results show that these reduces of nearly 31% of the internal heat gains through the roof, as well as a decrease in energy consumption related to air conditioning of 5% for some areas on the fourth and fifth floor. The estimated energy consumption of the building was 69 283 kWh per year.

  8. NPTool: a simulation and analysis framework for low-energy nuclear physics experiments

    NASA Astrophysics Data System (ADS)

    Matta, A.; Morfouace, P.; de Séréville, N.; Flavigny, F.; Labiche, M.; Shearman, R.

    2016-08-01

    The Nuclear Physics Tool (NPTool) is an open source data analysis and Monte Carlo simulation framework that has been developed for low-energy nuclear physics experiments with an emphasis on radioactive beam experiments. The NPTool offers a unified framework for designing, preparing and analyzing complex experiments employing multiple detectors, each of which may comprise some hundreds of channels. The framework has been successfully used for the analysis and simulation of experiments at facilities including GANIL, RIKEN, ALTO and TRIUMF, using both stable and radioactive beams. This paper details the NPTool philosophy together with an overview of the workflow. The framework has been benchmarked through the comparison of simulated and experimental data for a variety of detectors used in charged particle and gamma-ray spectroscopy.

  9. Simulation Speed Analysis and Improvements of Modelica Models for Building Energy Simulation

    SciTech Connect

    Jorissen, Filip; Wetter, Michael; Helsen, Lieve

    2015-09-21

    This paper presents an approach for speeding up Modelica models. Insight is provided into how Modelica models are solved and what determines the tool’s computational speed. Aspects such as algebraic loops, code efficiency and integrator choice are discussed. This is illustrated using simple building simulation examples and Dymola. The generality of the work is in some cases verified using OpenModelica. Using this approach, a medium sized office building including building envelope, heating ventilation and air conditioning (HVAC) systems and control strategy can be simulated at a speed five hundred times faster than real time.

  10. Using the BEopt Automated Residential Simulation Test Suite to Enable Comparative Analysis Between Energy Simulation Engines: Preprint

    SciTech Connect

    Tabares-Velasco, P. C.; Maguire, J.; Horowitz, S.; Christensen, C.

    2014-09-01

    Verification and validation are crucial software quality control procedures when developing and implementing models. This is particularly important as a variety of stakeholders rely on accurate predictions from building simulation programs. This study uses the BEopt Automated Residential Simulation Test Suite (BARTS) to facilitate comparison of two energy simulation engines across various building components and includes models that isolate the impacts of specific building components on annual energy consumption. As a case study, BARTS has been used to identify important discrepancies between the engines for several components of the building models; these discrepancies are caused by differences in the models used by the engines or coding errors.

  11. Using the Beopt Automated Residential Simulation Test Suite to Enable Comparative Analysis Between Energy Simulation Engines: Preprint

    SciTech Connect

    Tabares-Velasco, Paulo Cesar; Maguire, Jeff; Horowitz, Scott; Christensen, Craig

    2014-09-01

    Verification and validation are crucial software quality control procedures to follow when developing and implementing models. This is particularly important because a variety of stakeholders rely on accurate predictions from building simulation programs. This study uses the BEopt Automated Residential Simulation Test Suite (BARTS) to facilitate comparison of two energy simulation engines across various building components and includes building models that isolate the impacts of specific components on annual energy consumption. As a case study, BARTS has been used to identify important discrepancies between the engines for several components of the building models. These discrepancies are caused by differences in the algorithms used by the engines or coding errors.

  12. General purpose computational tools for simulation and analysis of medium-energy backscattering spectra

    NASA Astrophysics Data System (ADS)

    Weller, Robert A.

    1999-06-01

    This paper describes a suite of computational tools for general-purpose ion-solid calculations, which has been implemented in the platform-independent computational environment Mathematica®. Although originally developed for medium energy work (beam energies < 300 keV), they are suitable for general, classical, non-relativistic calculations. Routines are available for stopping power, Rutherford and Lenz-Jensen (screened) cross sections, sputtering yields, small-angle multiple scattering, and back-scattering-spectrum simulation and analysis. Also included are a full range of supporting functions, as well as easily accessible atomic mass and other data on all the stable isotopes in the periodic table. The functions use common calling protocols, recognize elements and isotopes by symbolic names and, wherever possible, return symbolic results for symbolic inputs, thereby facilitating further computation. A new paradigm for the representation of backscattering spectra is introduced.

  13. An Exploratory Energy Analysis of Electrochromic Windows in Small and Medium Office Buildings - Simulated Results Using EnergyPlus

    SciTech Connect

    Belzer, David B.

    2010-08-01

    The Department of Energy’s (DOE) Building Technologies Program (BTP) has had an active research program in supporting the development of electrochromic (EC) windows. Electrochromic glazings used in these windows have the capability of varying the transmittance of light and heat in response to an applied voltage. This dynamic property allows these windows to reduce lighting, cooling, and heating energy in buildings where they are employed. The exploratory analysis described in this report examined three different variants of EC glazings, characterized by the amount of visible light and solar heat gain (as measured by the solar heat gain coefficients [SHGC] in their “clear” or transparent states). For these EC glazings, the dynamic range of the SHGC’s between their “dark” (or tinted) state and the clear state were: (0.22 - 0.70, termed “high” SHGC); (0.16 - 0.39, termed “low” SHGC); and (0.13 - 0.19; termed “very low” SHGC). These glazings are compared to conventional (static) glazing that meets the ASHRAE Standard 90.1-2004 energy standard for five different locations in the U.S. All analysis used the EnergyPlus building energy simulation program for modeling EC windows and alternative control strategies. The simulations were conducted for a small and a medium office building, where engineering specifications were taken from the set of Commercial Building Benchmark building models developed by BTP. On the basis of these simulations, total source-level savings in these buildings were estimated to range between 2 to 7%, depending on the amount of window area and building location.

  14. Uncertainty analysis of numerical model simulations and HFR measurements during high energy events

    NASA Astrophysics Data System (ADS)

    Donncha, Fearghal O.; Ragnoli, Emanuele; Suits, Frank; Updyke, Teresa; Roarty, Hugh

    2013-04-01

    The identification and decomposition of sensor and model shortcomings is a fundamental component of any coastal monitoring and predictive system. In this research, numerical model simulations are combined with high-frequency radar (HFR) measurements to provide insights into the statistical accuracy of the remote sensing unit. A combination of classical tidal analysis and quantitative measures of correlation evaluate the performance of both across the bay. A network of high frequency radars is deployed within the Chesapeake study site, on the East coast of the United States, as a backbone component of the Integrated Ocean Observing System (IOOS). This system provides real-time synoptic measurements of surface currents in the zonal and meridional direction at hourly intervals in areas where at least two stations overlap, and radial components elsewhere. In conjunction with this numerical simulations using EFDC (Environmental Fluid Dynamics Code), an advanced three-dimensional model, provide additional details on flows, encompassing both surface dynamics and volumetric transports, while eliminating certain fundamental error inherent in the HFR system such as geometric dilution of precision (GDOP) and range dependencies. The aim of this research is an uncertainty estimate of both these datasets allowing for a degree of inaccuracy in both. The analysis focuses on comparisons between both the vector and radial component of flows returned by the HFR relative to numerical predictions. The analysis provides insight into the reported accuracy of both the raw radial data and the post-processed vector current data computed from combining the radial data. Of interest is any loss of accuracy due to this post-processing. Linear regression techniques decompose the surface currents based on dominant flow processes (tide and wind); statistical analysis and cross-correlation techniques measure agreement between the processed signal and dominant forcing parameters. The tidal signal

  15. Simulation on a car interior aerodynamic noise control based on statistical energy analysis

    NASA Astrophysics Data System (ADS)

    Chen, Xin; Wang, Dengfeng; Ma, Zhengdong

    2012-09-01

    How to simulate interior aerodynamic noise accurately is an important question of a car interior noise reduction. The unsteady aerodynamic pressure on body surfaces is proved to be the key effect factor of car interior aerodynamic noise control in high frequency on high speed. In this paper, a detail statistical energy analysis (SEA) model is built. And the vibra-acoustic power inputs are loaded on the model for the valid result of car interior noise analysis. The model is the solid foundation for further optimization on car interior noise control. After the most sensitive subsystems for the power contribution to car interior noise are pointed by SEA comprehensive analysis, the sound pressure level of car interior aerodynamic noise can be reduced by improving their sound and damping characteristics. The further vehicle testing results show that it is available to improve the interior acoustic performance by using detailed SEA model, which comprised by more than 80 subsystems, with the unsteady aerodynamic pressure calculation on body surfaces and the materials improvement of sound/damping properties. It is able to acquire more than 2 dB reduction on the central frequency in the spectrum over 800 Hz. The proposed optimization method can be looked as a reference of car interior aerodynamic noise control by the detail SEA model integrated unsteady computational fluid dynamics (CFD) and sensitivity analysis of acoustic contribution.

  16. Energy Simulator Residential Buildings

    Energy Science and Technology Software Center (ESTSC)

    1992-02-24

    SERI-RES performs thermal energy analysis of residential or small commercial buildings and has the capability of modeling passive solar equipment such as rock beds, trombe walls, and phase change material. The analysis is accomplished by simulation. A thermal model of the building is created by the user and translated into mathematical form by the program. The mathematical equations are solved repeatedly at time intervals of one hour or less for the period of simulation. Themore » mathematical representation of the building is a thermal network with nonlinear, temperature-dependent controls. A combination of forward finite differences, Jacobian iteration, and constrained optimization techniques is used to obtain a solution. An auxiliary interactive editing program, EDITOR, is included for creating building descriptions. EDITOR checks the validity of the input data and also provides facilities for storing and referencing several types of building description files. Some of the data files used by SERI-RES need to be implemented as direct-access files. Programs are included to convert sequential files to direct-access files and vice versa.« less

  17. Free energy landscape of the Michaelis complex of lactate dehydrogenase: A network analysis of atomistic simulations

    NASA Astrophysics Data System (ADS)

    Pan, Xiaoliang; Schwartz, Steven

    2015-03-01

    It has long been recognized that the structure of a protein is a hierarchy of conformations interconverting on multiple time scales. However, the conformational heterogeneity is rarely considered in the context of enzymatic catalysis in which the reactant is usually represented by a single conformation of the enzyme/substrate complex. Lactate dehydrogenase (LDH) catalyzes the interconversion of pyruvate and lactate with concomitant interconversion of two forms of the cofactor nicotinamide adenine dinucleotide (NADH and NAD+). Recent experimental results suggest that multiple substates exist within the Michaelis complex of LDH, and they are catalytic competent at different reaction rates. In this study, millisecond-scale all-atom molecular dynamics simulations were performed on LDH to explore the free energy landscape of the Michaelis complex, and network analysis was used to characterize the distribution of the conformations. Our results provide a detailed view of the kinetic network the Michaelis complex and the structures of the substates at atomistic scale. It also shed some light on understanding the complete picture of the catalytic mechanism of LDH.

  18. Energy harvesting using rattleback: Theoretical analysis and simulations of spin resonance

    NASA Astrophysics Data System (ADS)

    Nanda, Aditya; Singla, Puneet; Karami, M. Amin

    2016-05-01

    This paper investigates the spin resonance of a rattleback subjected to base oscillations which is able to transduce vibrations into continuous rotary motion and, therefore, is ideal for applications in Energy harvesting and Vibration sensing. The rattleback is a toy with some curious properties. When placed on a surface with reasonable friction, the rattleback has a preferred direction of spin. If rotated anti to it, longitudinal vibrations are set up and spin direction is reversed. In this paper, the dynamics of a rattleback placed on a sinusoidally vibrating platform are simulated. We can expect base vibrations to excite the pitch motion of the rattleback, which, because of the coupling between pitch and spin motion, should cause the rattleback to spin. Results are presented which show that this indeed is the case-the rattleback has a mono-peak spin resonance with respect to base vibrations. The dynamic response of the rattleback was found to be composed of two principal frequencies that appeared in the pitch and rolling motions. One of the frequencies was found to have a large coupling with the spin of the rattleback. Spin resonance was found to occur when the base oscillatory frequency was twice the value of the coupled frequency. A linearized model is developed which can predict the values of the two frequencies accurately and analytical expressions for the same in terms of the parameters of the rattleback have been derived. The analysis, thus, forms an effective and easy method for obtaining the spin resonant frequency of a given rattleback. Novel ideas for applications utilizing the phenomenon of spin resonance, for example, an energy harvester composed of a magnetized rattleback surrounded by ferromagnetic walls and a small scale vibration sensor comprising an array of several magnetized rattlebacks, are included.

  19. Software interoperability for energy simulation

    SciTech Connect

    Hitchcock, Robert J.

    2002-07-31

    This paper provides an overview of software interoperability as it relates to the energy simulation of buildings. The paper begins with a discussion of the difficulties in using sophisticated analysis tools like energy simulation at various stages in the building life cycle, and the potential for interoperability to help overcome these difficulties. An overview of the Industry Foundation Classes (IFC), a common data model for supporting interoperability under continuing development by the International Alliance for Interoperability (IAI) is then given. The process of creating interoperable software is described next, followed by specific details for energy simulation tools. The paper closes with the current status of, and future plans for, the ongoing efforts to achieve software interoperability.

  20. PSTAR: Primary and secondary terms analysis and renormalization: A unified approach to building energy simulations and short-term monitoring

    SciTech Connect

    Subbarao, K.

    1988-09-01

    This report presents a unified method of hourly simulation of a building and analysis of performance data. The method is called Primary and Secondary Terms Analysis and Renormalization (PSTAR). In the PSTAR method, renormalized parameters are introduced for the primary terms such that the renormalized energy balance equation is best satisfied in the least squares sense, hence, the name PSTAR. PSTAR allows extraction of building characteristics from short-term tests on a small number of data channels. These can be used for long-term performance prediction (''ratings''), diagnostics, and control of heating, ventilating, and air conditioning systems (HVAC), comparison of design versus actual performance, etc. By combining realistic building models, simple test procedures, and analysis involving linear equations, PSTAR provides a powerful tool for analyzing building energy as well as testing and monitoring. It forms the basis for the Short-Term Energy Monitoring (STEM) project at SERI.

  1. Energy analysis of electric vehicles using batteries or fuel cells through well-to-wheel driving cycle simulations

    NASA Astrophysics Data System (ADS)

    Campanari, Stefano; Manzolini, Giampaolo; Garcia de la Iglesia, Fernando

    This work presents a study of the energy and environmental balances for electric vehicles using batteries or fuel cells, through the methodology of the well to wheel (WTW) analysis, applied to ECE-EUDC driving cycle simulations. Well to wheel balances are carried out considering different scenarios for the primary energy supply. The fuel cell electric vehicles (FCEV) are based on the polymer electrolyte membrane (PEM) technology, and it is discussed the possibility to feed the fuel cell with (i) hydrogen directly stored onboard and generated separately by water hydrolysis (using renewable energy sources) or by conversion processes using coal or natural gas as primary energy source (through gasification or reforming), (ii) hydrogen generated onboard with a fuel processor fed by natural gas, ethanol, methanol or gasoline. The battery electric vehicles (BEV) are based on Li-ion batteries charged with electricity generated by central power stations, either based on renewable energy, coal, natural gas or reflecting the average EU power generation feedstock. A further alternative is considered: the integration of a small battery to FCEV, exploiting a hybrid solution that allows recovering energy during decelerations and substantially improves the system energy efficiency. After a preliminary WTW analysis carried out under nominal operating conditions, the work discusses the simulation of the vehicles energy consumption when following standardized ECE-EUDC driving cycle. The analysis is carried out considering different hypothesis about the vehicle driving range, the maximum speed requirements and the possibility to sustain more aggressive driving cycles. The analysis shows interesting conclusions, with best results achieved by BEVs only for very limited driving range requirements, while the fuel cell solutions yield best performances for more extended driving ranges where the battery weight becomes too high. Results are finally compared to those of conventional internal

  2. Analysis of vibrational-translational energy transfer using the direct simulation Monte Carlo method

    NASA Technical Reports Server (NTRS)

    Boyd, Iain D.

    1991-01-01

    A new model is proposed for energy transfer between the vibrational and translational modes for use in the direct simulation Monte Carlo method (DSMC). The model modifies the Landau-Teller theory for a harmonic oscillator and the rate transition is related to an experimental correlation for the vibrational relaxation time. Assessment of the model is made with respect to three different computations: relaxation in a heat bath, a one-dimensional shock wave, and hypersonic flow over a two-dimensional wedge. These studies verify that the model achieves detailed balance, and excellent agreement with experimental data is obtained in the shock wave calculation. The wedge flow computation reveals that the usual phenomenological method for simulating vibrational nonequilibrium in the DSMC technique predicts much higher vibrational temperatures in the wake region.

  3. Monte Carlo simulation of Li+ motion in polyethylene based on polarization energy calculations and informed by data compression analysis

    NASA Astrophysics Data System (ADS)

    Scarle, S.; Sterzel, M.; Eilmes, A.; Munn, R. W.

    2005-10-01

    We present an n-fold way kinetic Monte Carlo simulation of the hopping motion of Li+ ions in polyethylene on a grid of mesh 0.36Å superimposed on the voids of the rigid polymer. The structure of the polymer is derived from a higher-order simulation, and the energy of the ion at each site is derived by the self-consistent polarization field method. The ion motion evolves in time from free flight through anomalous diffusion to normal diffusion, with the average energy tending to decrease with increasing temperature through thermal annealing. We compare the results with those of hopping models with probabilistic energy distributions of increasing complexity by analyzing the mean-square displacement and the average energy of an ensemble of ions. The Gumbel distribution describes the ion energy statistics in this system better than the usual Gaussian distribution does; including energy correlation greatly affects the ion dynamics. The analysis uses the standard data compression program GZIP, which proves to be a powerful tool for data analysis by giving a measure of recurrences in the ion path.

  4. Spectral energy analysis of locally resonant nanophononic metamaterials by molecular simulations

    NASA Astrophysics Data System (ADS)

    Honarvar, Hossein; Hussein, Mahmoud I.

    2016-02-01

    A nanophononic metamaterial is a new type of nanostructured material that features an array, or a forest, of intrinsically distributed resonating substructures. Each substructure exhibits numerous local resonances, each of which may hybridize with the phonon dispersion of the underlying host material, causing significant reductions in the group velocities and consequently a reduction in the lattice thermal conductivity. In this Rapid Communication, molecular dynamics simulations are utilized to investigate both the dynamics and the thermal transport properties of a nanophononic metamaterial configuration consisting of a freely suspended silicon membrane with an array of silicon nanopillars standing on the surface. The simulations yield results consistent with earlier lattice-dynamics-based predictions which showed a reduction in the thermal conductivity due to the presence of the local resonators. Using a spectral energy density approach, in which only simulation data are utilized and no a priori information on the nanostructure resonant phonon modes is provided, we show direct evidence of the existence of resonance hybridizations as an inherent mechanism contributing to the slowing down of thermal transport in the host medium.

  5. Pellet plant energy simulator

    NASA Astrophysics Data System (ADS)

    Bordeasu, D.; Vasquez Pulido, T.; Nielsen, C.

    2016-02-01

    The Pellet Plant energy simulator is a software based on advanced algorithms which has the main purpose to see the response of a pellet plant regarding certain location conditions. It combines energy provided by a combined heat and power, and/or by a combustion chamber with the energy consumption of the pellet factory and information regarding weather conditions in order to predict the biomass consumption of the pellet factory together with the combined heat and power, and/or with the biomass consumption of the combustion chamber. The user of the software will not only be able to plan smart the biomass acquisition and estimate its cost, but also to plan smart the preventive maintenance (charcoal cleaning in case of a gasification plant) and use the pellet plant at the maximum output regarding weather conditions and biomass moisture. The software can also be used in order to execute a more precise feasibility study for a pellet plant in a certain location. The paper outlines the algorithm that supports the Pellet Plant Energy Simulator idea and presents preliminary tests results that supports the discussion and implementation of the system

  6. Molecular dynamics simulations and binding free energy analysis of DNA minor groove complexes of curcumin.

    PubMed

    Koonammackal, Mathew Varghese; Nellipparambil, Unnikrishnan Viswambharan Nair; Sudarsanakumar, Chellappanpillai

    2011-11-01

    Curcumin is a natural phytochemical that exhibits a wide range of pharmacological properties, including antitumor and anticancer activities. The similarity in the shape of curcumin to DNA minor groove binding drugs is the motivation for exploring its binding affinity in the minor grooves of DNA sequences. Interactions of curcumin with DNA have not been extensively examined, while its pharmacological activities have been studied and documented in depth. Curcumin was docked with two DNA duplexes, d(GTATATAC)(2) and d(CGCGATATCGCG)(2), and molecular dynamics simulations of the complexes were performed in explicit solvent to determine the stability of the binding. In all systems, the curcumin is positioned in the minor groove in the A·T region, and was stably bound throughout the simulation, causing only minor modifications to the structural parameters of DNA. Water molecules were found to contribute to the stability of the binding of the ligand. Free energy analyses of the complexes were performed with MM-PBSA, and the binding affinities that were calculated are comparable to the values reported for other similar nucleic acid-ligand systems, indicating that curcumin is a suitable natural molecule for the development of minor groove binding drugs. PMID:21287216

  7. Analysis of Voyager Observed High-Energy Electron Fluxes in the Heliosheath Using MHD Simulations

    NASA Technical Reports Server (NTRS)

    Washimi, Haruichi; Webber, W. R.; Zank, Gary P.; Hu, Qiang; Florinski, Vladimir; Adams, James; Kubo, Yuki

    2011-01-01

    The Voyager spacecraft (V1 and V2) observed electrons of 6-14 MeV in the heliosheath which showed several incidences of flux variation relative to a background of gradually increasing flux with distance from the Sun. The increasing flux of background electrons is thought to result from inward radial diffusion. We compare the temporal electron flux variation with dynamical phenomena in the heliosheath that are obtained from our MHD simulations. Because our simulation is based on V2 observed plasma data before V2 crossed the termination shock, this analysis is effective up to late 2008, i.e., about a year after the V2-crossing, during which disturbances, driven prior to the crossing time, survived in the heliosheath. Several electron flux variations correspond to times directly associated with interplanetary shock events. One noteworthy example corresponds to various times associated with the March 2006 interplanetary shock, these being the collision with the termination shock, the passage past the V1 spacecraft, and the collision with the region near the heliopause, as identified by W.R. Webber et al. for proton/helium of 7-200 MeV. Our simulations indicate that all other electron flux variations, except one, correspond well to the times when a shock-driven magneto-sonic pulse and its reflection in the heliosheath either passed across V1/V2, or collided with the termination shock or with the plasma sheet near the heliopause. This result suggests that variation in the electron flux should be due to either direct or indirect effects of magnetosonic pulses in the heliosheath driven by interplanetary shocks

  8. A Labor Market Analysis of the Electricity Sector for 2030 using the National Energy with Weather System Simulator

    NASA Astrophysics Data System (ADS)

    Terry, L.; Clack, C.; Marquis, M.; Paine, J.; Picciano, P.

    2015-12-01

    We conducted an analysis that utilized the National Renewable Energy Laboratory's (NREL) Jobs and Economic Development Impact (JEDI) models to estimate the temporary and permanent jobs, earnings, and state sales tax revenues that would be created by various scenarios of the National Energy with Weather System (NEWS) simulator. This simulator was created by a collaboration between the Cooperative Institute for Research in Environmental Sciences (CIRES) at the University of Colorado and the Earth Systems Research Laboratory (ESRL NOAA). The NEWS simulator used three years of high-resolution (13-km, hourly) weather and power data to select the most cost-efficient, resource-maximizing, and complementary locations for wind, solar photovoltaic, and natural gas power plants along with high-voltage direct-current transmission, thereby providing the cheapest possible electricity grid that facilitates the incorporation of large amounts of wind and solar PV. We applied various assumptions to ensure that we produced conservative estimates, while keeping costs in line with those of the NEWS simulator. Our analysis shows that under the lowest carbon-emitting scenario of the NEWS carried out (80% reduction in CO2 compared with 1990 levels), almost ten million new jobs could be created by 2030. Of those jobs, over 400,000 would be permanently supporting the operations of the power plants. That particular scenario would also add over 500 billion to the paychecks of American workers and 75 billion to state tax revenues by 2030. All of this is achieved with average electricity costs of 10.7¢/kWh, because the electric system relies less heavily on fuel and more on jobs constructing, operating, and maintaining infrastructure. We use the current presentation to describe the methods used to reach these findings and examine some potential impacts of our estimates on public policy. Although we are able to identify some systematic problems with the JEDI model, we find that these problems

  9. Exergy and Energy analysis of a ground-source heat pump for domestic water heating under simulated occupancy conditions

    SciTech Connect

    Ally, Moonis Raza; Munk, Jeffrey D; Baxter, Van D; Gehl, Anthony C

    2012-01-01

    This paper presents detailed analysis of a water to water ground source heat pump (WW-GSHP) to provide all the hot water needs in a 345 m2 house located in DOE climate zone 4 (mixed-humid). The protocol for hot water use is based on the Building America Research Benchmark Definition (Hendron 2008; Hendron and Engebrecht 2010) which aims to capture the living habits of the average American household and its impact on energy consumption. The entire house was operated under simulated occupancy conditions. Detailed energy and exergy analysis provides a complete set of information on system efficiency and sources of irreversibility, the main cause of wasted energy. The WW-GSHP was sized at 5.275 kW (1.5-ton) for this house and supplied hot water to a 303 L (80 gal) water storage tank. The WW-GSHP shared the same ground loop with a 7.56 kW (2.1-ton) water to air ground source heat pump (WA-GSHP) which provided space conditioning needs to the entire house. Data, analyses, and measures of performance for the WW-GSHP in this paper complements the results of the WA-GSHP published in this journal (Ally, Munk et al. 2012). Understanding the performance of GSHPs is vital if the ground is to be used as a viable renewable energy resource.

  10. Overview of validation procedures for building energy-analysis simulation codes. [SUNCAT 2. 4, DEROB 4, DOE 2. 1, BLAST

    SciTech Connect

    Wortman, D.; O'Doherty, B.; Judkoff, R.

    1981-03-01

    SERI is developing a procedure for the validation of Building Energy Analysis Simulation Codes (BEAS). These codes are being used increasingly in the building design process, both directly and as the basis for simplified design tools and guidelines. The importance of the validity of the BEAS in predicting building energy performance is obvious when one considers the money and energy which could be wasted by energy-inefficient designs. However, to date, little or no systematic effort has been made to ensure the validity of the various BEAS. The validation work at SERI consists of three distinct parts: Comparative Study, Analytical Verification, and Empirical Validation. The procedures have been developed for the first two parts, and these procedures have been implemented on a sampling of the major BEAS. Results from this work have shown major problems in two of the BEAS tested. Furthermore, when one building design was run on several of the BEAS, there were large differences in the predicted annual heating loads. The empirical validation procedure will be developed when high quality empirical data become available.

  11. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis

    PubMed Central

    Bai, Qifeng; Yao, Xiaojun

    2016-01-01

    Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1. PMID:26887338

  12. Investigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysis

    NASA Astrophysics Data System (ADS)

    Bai, Qifeng; Yao, Xiaojun

    2016-02-01

    Metabotropic glutamate receptor 1 (mGlu1), which belongs to class C G protein-coupled receptors (GPCRs), can be coupled with G protein to transfer extracellular signal by dimerization and allosteric regulation. Unraveling the dimer packing and allosteric mechanism can be of great help for understanding specific regulatory mechanism and designing more potential negative allosteric modulator (NAM). Here, we report molecular dynamics simulation studies of the modulation mechanism of FITM on the wild type, T815M and Y805A mutants of mGlu1 through weak interaction analysis and free energy calculation. The weak interaction analysis demonstrates that van der Waals (vdW) and hydrogen bonding play an important role on the dimer packing between six cholesterol molecules and mGlu1 as well as the interaction between allosteric sites T815, Y805 and FITM in wild type, T815M and Y805A mutants of mGlu1. Besides, the results of free energy calculations indicate that secondary binding pocket is mainly formed by the residues Thr748, Cys746, Lys811 and Ser735 except for FITM-bound pocket in crystal structure. Our results can not only reveal the dimer packing and allosteric regulation mechanism, but also can supply useful information for the design of potential NAM of mGlu1.

  13. HEAP: Heat Energy Analysis Program, a computer model simulating solar receivers. [solving the heat transfer problem

    NASA Technical Reports Server (NTRS)

    Lansing, F. L.

    1979-01-01

    A computer program which can distinguish between different receiver designs, and predict transient performance under variable solar flux, or ambient temperatures, etc. has a basic structure that fits a general heat transfer problem, but with specific features that are custom-made for solar receivers. The code is written in MBASIC computer language. The methodology followed in solving the heat transfer problem is explained. A program flow chart, an explanation of input and output tables, and an example of the simulation of a cavity-type solar receiver are included.

  14. Analysis and simulation of energy use and cost at a municipal wastewater treatment plant

    NASA Astrophysics Data System (ADS)

    Feng, Yilu

    2011-12-01

    The cost of electricity, a major operating cost of municipal wastewater treatment plants, is related to influent flow rate, power price, and power load. With knowledge of inflow and price patterns, plant operators can manage processes to reduce electricity costs. Records of influent flow, power price, and load are evaluated for Blue Plains Advanced Wastewater Treatment Plant. Diurnal and seasonal trends are analyzed. Power usage is broken down among treatment processes. A simulation model of influent pumping, a large power user, is developed. It predicts pump discharge and power usage based on wet-well level. Individual pump characteristics are tested in the plant. The model accurately simulates plant inflow and power use for two pumping stations [R2 = 0.68, 0.93 (inflow), R2 =0.94, 0.91(power)]. Wet-well stage-storage relationship is estimated from data. Time-varying wet-well level is added to the model. A synthetic example demonstrates application in managing pumps to reduce electricity cost.

  15. Numerical simulation and analysis of energy loss in a nanosecond spark gap switch

    NASA Astrophysics Data System (ADS)

    Lavrinovich, I. V.; Oreshkin, V. I.

    2014-11-01

    A system of differential equations for the RLC circuit of a capacitor-switch assembly was derived being supplemented with an equation for the spark resistance of the switch in accordance with the Braginsky model. The parameters that affect the solutions of equations for the circuit with parallel or series connection of several capacitor-switch assemblies to a common inductive load were determined. Based on numerical solution of the system of equations, a dependence of the energy ES released in the spark within the first halfperiod on the discharge circuit and switch parameters was found.

  16. Empirical validation of building energy-analysis simulation programs: a status report

    SciTech Connect

    Judkoff, R.; Wortman, D.; Burch, J.

    1982-09-01

    Under the auspices of the DOE Passive/Hybrid Solar Division Class A Monitoring and Validation Program, SERI has engaged in several areas of research in fiscal year 1982. This research has included: (1) development of a validation methodology, (2) development of a performance monitoring methodology designed to meet the specific data needs for validation of analysis/design tools, (3) construction and monitoring of a 1000-ft/sup 2/ multizone skin-load-dominated test facility, (4) construction and monitoring of a two-zone test cell, and (5) sample validation studies using the DOE-2.1, BLAST-3.0, and SERIRES-1.0 computer programs. The status of these activities is reported and the validation methodology and the Class A data acquisition capabilities at SERI are described briefly.

  17. Role of the Closing Base Pair for d(GCA) Hairpin Stability: Free Energy Analysis and Folding Simulations

    SciTech Connect

    Kannan, Srinivasaraghavan; Zacharias, Martin W.

    2011-06-30

    Hairpin loops belong to the most important structural motifs in folded nucleic acids. The d(GNA) sequence in DNA can form very stable trinucleotide hairpin loops depending, however, strongly on the closing base pair. Replica-exchange molecular dynamics (REMD) were employed to study hairpin folding of two DNA sequences, d(gcGCAgc) and d(cgGCAcg), with the same central loop motif but different closing base pairs starting from singlestranded structures. In both cases, conformations of the most populated conformational cluster at the lowest temperature showed close agreement with available experimental structures. For the loop sequence with the less stable G:C closing base pair, an alternative loop topology accumulated as second most populated conformational state indicating a possible loop structural heterogeneity. Comparative-free energy simulations on induced loop unfolding indicated higher stability of the loop with a C:G closing base pair by 3 kcal mol1 (compared to a G:C closing base pair) in very good agreement with experiment. The comparative energetic analysis of sampled unfolded, intermediate and folded conformational states identified electrostatic and packing interactions as the main contributions to the closing base pair dependence of the d(GCA) loop stability.

  18. Energy Analysis.

    ERIC Educational Resources Information Center

    Bazjanac, Vladimir

    1981-01-01

    The Aquatic Center at Corvallis (Oregon) is analyzed for energy use. Energy conservation in the building would be accomplished best through heavy insulation of exterior surfaces and the maximization of passive solar gain. (Author/MLF)

  19. Building Energy Consumption Analysis

    Energy Science and Technology Software Center (ESTSC)

    2005-03-02

    DOE2.1E-121SUNOS is a set of modules for energy analysis in buildings. Modules are included to calculate the heating and cooling loads for each space in a building for each hour of a year (LOADS), to simulate the operation and response of the equipment and systems that control temperature and humidity and distribute heating, cooling and ventilation to the building (SYSTEMS), to model energy conversion equipment that uses fuel or electricity to provide the required heating,more » cooling and electricity (PLANT), and to compute the cost of energy and building operation based on utility rate schedule and economic parameters (ECONOMICS).« less

  20. Validation Methodology to Allow Simulated Peak Reduction and Energy Performance Analysis of Residential Building Envelope with Phase Change Materials: Preprint

    SciTech Connect

    Tabares-Velasco, P. C.; Christensen, C.; Bianchi, M.

    2012-08-01

    Phase change materials (PCM) represent a potential technology to reduce peak loads and HVAC energy consumption in residential buildings. This paper summarizes NREL efforts to obtain accurate energy simulations when PCMs are modeled in residential buildings: the overall methodology to verify and validate Conduction Finite Difference (CondFD) and PCM algorithms in EnergyPlus is presented in this study. It also shows preliminary results of three residential building enclosure technologies containing PCM: PCM-enhanced insulation, PCM impregnated drywall and thin PCM layers. The results are compared based on predicted peak reduction and energy savings using two algorithms in EnergyPlus: the PCM and Conduction Finite Difference (CondFD) algorithms.

  1. Suitability of Synthetic Driving Profiles from Traffic Micro-Simulation for Real-World Energy Analysis: Preprint

    SciTech Connect

    Hou, Yunfei; Wood, Eric; Burton, Evan; Gonder, Jeffrey

    2015-10-14

    A shift towards increased levels of driving automation is generally expected to result in improved safety and traffic congestion outcomes. However, little empirical data exists to estimate the impact that automated driving could have on energy consumption and greenhouse gas emissions. In the absence of empirical data on differences between drive cycles from present day vehicles (primarily operated by humans) and future vehicles (partially or fully operated by computers) one approach is to model both situations over identical traffic conditions. Such an exercise requires traffic micro-simulation to not only accurately model vehicle operation under high levels of automation, but also (and potentially more challenging) vehicle operation under present day human drivers. This work seeks to quantify the ability of a commercial traffic micro-simulation program to accurately model real-world drive cycles in vehicles operated primarily by humans in terms of driving speed, acceleration, and simulated fuel economy. Synthetic profiles from models of freeway and arterial facilities near Atlanta, Georgia, are compared to empirical data collected from real-world drivers on the same facilities. Empirical and synthetic drive cycles are then simulated in a powertrain efficiency model to enable comparison on the basis of fuel economy. Synthetic profiles from traffic micro-simulation were found to exhibit low levels of transient behavior relative to the empirical data. Even with these differences, the synthetic and empirical data in this study agree well in terms of driving speed and simulated fuel economy. The differences in transient behavior between simulated and empirical data suggest that larger stochastic contributions in traffic micro-simulation (relative to those present in the traffic micro-simulation tool used in this study) are required to fully capture the arbitrary elements of human driving. Interestingly, the lack of stochastic contributions from models of human drivers

  2. Thyristor converter simulation and analysis

    SciTech Connect

    Zhang, S.Y.

    1991-01-01

    In this paper we present a simulation on thyristor converters. The simulation features nonlinearity, non-uniform firing, and the commutations. Several applications such as a current regulation, a converter frequency characteristics analysis, and a power line disturbance analysis will be presented. 4 refs., 4 figs.

  3. Bound Flavin-Cytochrome Model of Extracellular Electron Transfer in Shewanella oneidensis: Analysis by Free Energy Molecular Dynamics Simulations.

    PubMed

    Hong, Gongyi; Pachter, Ruth

    2016-06-30

    Flavins are known to enhance extracellular electron transfer (EET) in Shewanella oneidensis MR-1 bacteria, which reduce electron acceptors through outer-membrane (OM) cytochromes c. Free-shuttle and bound-redox cofactor mechanisms were proposed to explain this enhancement, but recent electrochemical reports favor a flavin-bound model, proposing two one-electron reductions of flavin, namely, oxidized (Ox) to semiquinone (Sq) and semiquinone to hydroquinone (Hq), at anodic and cathodic conditions, respectively. In this work, to provide a mechanistic understanding of riboflavin (RF) binding at the multiheme OM cytochrome OmcA, we explored binding configurations at hemes 2, 5, 7, and 10. Subsequently, on the basis of molecular dynamics (MD) simulations, binding free energies and redox potential shifts upon RF binding for the Ox/Sq and Sq/Hq reductions were analyzed. Our results demonstrated an upshift in the Ox/Sq and a downshift in the Sq/Hq redox potentials, consistent with a bound RF-OmcA model. Furthermore, binding free energy MD simulations indicated an RF binding preference at heme 7. MD simulations of the OmcA-MtrC complex interfacing at hemes 5 revealed a small interprotein redox potential difference with an electron transfer rate of 10(7)-10(8)/s. PMID:27266856

  4. Free-energy analysis of lysozyme-triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation

    NASA Astrophysics Data System (ADS)

    Takemura, Kazuhiro; Burri, Raghunadha Reddy; Ishikawa, Takeshi; Ishikura, Takakazu; Sakuraba, Shun; Matubayasi, Nobuyuki; Kuwata, Kazuo; Kitao, Akio

    2013-02-01

    We propose a method for calculating the binding free energy of protein-ligand complexes using all-atom molecular dynamics simulation combined with the solution theory in the energy representation. Four distinct modes for the binding of tri-N-acetyl-D-glucosamine (triNAG) to hen egg-white lysozyme were investigated, one from the crystal structure and three generated by docking predictions. The proposed method was demonstrated to be used to distinguish the most plausible binding mode (crystal model) as the lowest binding energy mode.

  5. J. J. Sakurai Prize for Theoretical Particle Physics Lectgure: Improving the precision of high-energy simulation and analysis tools

    NASA Astrophysics Data System (ADS)

    Webber, Bryan

    2012-03-01

    Comparing theoretical predictions with experimental data on particle collisions like those at the Large Hadron Collider is far from straightforward. The predictions usually concern fundamental objects (quarks, gluons, leptons, ) whereas the colliding hadrons are complicated bound states. Furthermore, final states of interest often contain high-energy jets of many hadrons, together with underlying lower-energy hadron production. The jets may come from primary interactions producing energetic quarks and gluons, or from the decays of heavy or highly boosted objects, possibly new forms of matter. I will discuss the development of computer simulations of jet production in hard collisions, and of jet-finding algorithms that aim to reconstruct the fundamental collision and decay dynamics from hadronic final states. In both cases, improvements in the underlying theoretical framework have led to a better description of Standard Model processes at the LHC, and better tools for the discovery of any new processes that may lie within its reach.

  6. Energy losing rate and open-circuit voltage analysis of organic solar cells based on detailed photocurrent simulation

    SciTech Connect

    Yu Junsheng; Huang Jiang; Zhang Lei; Jiang Yadong

    2009-09-15

    The J-V characteristics and photovoltaic response of indium tin oxide/pentacene (d nm)/C{sub 60} (40 nm)/BCP (10 nm)/Ag (100 nm) devices have been systematically analyzed. By fitting the J-V characteristics of the fabricated devices, photocurrent densities J{sub ph} were obtained. Meanwhile, we proposed a modified optical transfer matrix theory to satisfy the reasonable trend between P{sub 0}R{sub 0} and film thickness of pentacene layers. Then, we revealed that an accurate rate of energy loss can be defined as E{sub loss}=1-betaJ{sub e}/P{sub 0}R{sub 0}. Also, the relationship between open-circuit voltage V{sub OC}, compensation voltage V{sub 0} and initial polaron-pair bounding energy E{sub B} was determined based on the detailed study and simulation of device photocurrent.

  7. Building Energy Consumption Analysis

    Energy Science and Technology Software Center (ESTSC)

    2005-01-24

    DOE2.1E-121 is a set of modules for energy analysis in buildings. Modules are included to calculate the heating and cooling loads for each space in a building for each hour of a year (LOADS), to simulate the operation and response of the equipment and systems that control temperature and humidity and distribute heating, cooling and ventilation to the building (SYSTEMS), to model energy conversion equipment that uses fuel or electricity to provide the required heating,more » cooling and electricity (PLANT), and to compute the cost of energy and building operation based on utility rate schedule and economic parameters (ECONOMICS). DOE2.1E-121 contains modifications to DOE2.1E which allows 1000 zones to be modeled.« less

  8. Dynamic Analysis of Nuclear Energy System Strategies

    SciTech Connect

    Den Durpel, Luc Van

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims at performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.

  9. Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation

    NASA Astrophysics Data System (ADS)

    Kawakami, Tomonori; Shigemoto, Isamu; Matubayasi, Nobuyuki

    2012-12-01

    Affinity of small molecule to polymer is an essential property for designing polymer materials with tuned permeability. In the present work, we develop a computational approach to the free energy ΔG of binding a small solute molecule into polymer using the atomistic molecular dynamics (MD) simulation combined with the method of energy representation. The binding free energy ΔG is obtained by viewing a single polymer as a collection of fragments and employing an approximate functional constructed from distribution functions of the interaction energy between solute and the fragment obtained from MD simulation. The binding of water is then examined against 9 typical polymers. The relationship is addressed between the fragment size and the calculated ΔG, and a useful fragment size is identified to compromise the performance of the free-energy functional and the sampling efficiency. It is found with the appropriate fragment size that the ΔG convergence at a statistical error of ˜0.2 kcal/mol is reached at ˜4 ns of replica-exchange MD of the water-polymer system and that the mean absolute deviation of the computational ΔG from the experimental is 0.5 kcal/mol. The connection is further discussed between the polymer structure and the thermodynamic ΔG.

  10. JASMINE: Data analysis and simulation

    NASA Astrophysics Data System (ADS)

    Yamada, Yoshiyuki; Gouda, Naoteru; Yano, Taihei; Kobayashi, Yukiyasu; Sako, Nobutada; Jasmine Working Group

    JASMINE will study the structure and evolution of the Milky Way Galaxy. To accomplish these objectives JASMINE will measure trigonometric parallaxes, positions and proper motions of about 10 million stars with a precision of 10 μas at z = 14 mag. In this paper methods for data analysis and error budgets, on-board data handling such as sampling strategy and data compression, and simulation software for end-to-end simulation are presented.

  11. BLAST: Building energy simulation in Hong Kong

    NASA Astrophysics Data System (ADS)

    Fong, Sai-Keung

    1999-11-01

    evaluated. It was found that the supply of cool air to the lower portion of the compartment provided significant performance of space cooling. The mathematical relationships between different shading patterns and different glass window to wall ratios of single compartments were established to provide a guide for easy approximation of energy use under similar conditions. In addition, the Overall Thermal Transfer Values (OTTV) for the compartments were studied. The monthly and annual energy use of three realistic buildings were investigated. They were a commercial building, an industrial building and a dual-purpose building. The cooling loads per floor area for the buildings were studied and the OTTV were evaluated by two different methods. Sensitivity analysis was carried out to investigate the impact of the parameters of internal heat gains on the energy use of an academic building. It was found that there was major influence of indoor temperature setting on building energy use The performances of using the local weather data file of TMY and example weather years 1980 and 1989 were evaluated. TMY was found to be the most suitable for energy simulation while the weather years 1980 and 1989 yielded good results.

  12. Community Energy Consumption Analysis

    Energy Science and Technology Software Center (ESTSC)

    1992-02-21

    The TDIST3 program performs an analysis of large integrated community total energy systems (TES) supplying thermal and electrical energy from one or more power stations. The program models the time-dependent energy demands of a group of representative building types, distributes the thermal demands within a thermal utility system (TUS), simulates the dynamic response of a group of power stations in meeting the TUS demands, and designs an optimal base-loaded (electrically) power plant and thermal energymore » storage reservoir combination. The capital cost of the TES is evaluated. The program was developed primarily to analyze thermal utility systems supplied with high temperature water (HTW) from more than one power plant. The TUS consists of a transmission loop and secondary loops with a heat exchanger linking each secondary loop to the transmission loop. The power stations electrical output supplies all community buildings and the HTW supplies the thermal demand of the buildings connected through the TUS, a piping network. Basic components of the TES model are one or more power stations connected to the transmission loop. These may be dual-purpose, producing electricity and HTW, or just heating plants producing HTW. A thermal storage reservoir is located at one power station. The secondary loops may have heating plants connected to them. The transmission loop delivers HTW to local districts; the secondary loops deliver the energy to the individual buildings in a district.« less

  13. WATER QUALITY ANALYSIS SIMULATION PROGRAM

    EPA Science Inventory

    The Water Quality Analysis Simulation Program (WASP6), an enhancement of the original WASP (Di Toro et al., 1983; Connolly and Winfield,1984; Ambrose, R.B. et al.,1988). This model helps users interpret and predict water quality responses to natural phenomena and man-made polluti...

  14. Economic Analysis. Computer Simulation Models.

    ERIC Educational Resources Information Center

    Sterling Inst., Washington, DC. Educational Technology Center.

    A multimedia course in economic analysis was developed and used in conjunction with the United States Naval Academy. (See ED 043 790 and ED 043 791 for final reports of the project evaluation and development model.) This volume of the text discusses the simulation of behavioral relationships among variable elements in an economy and presents…

  15. Turbulence flight director analysis and preliminary simulation

    NASA Technical Reports Server (NTRS)

    Johnson, D. E.; Klein, R. E.

    1974-01-01

    A control column and trottle flight director display system is synthesized for use during flight through severe turbulence. The column system is designed to minimize airspeed excursions without overdriving attitude. The throttle system is designed to augment the airspeed regulation and provide an indication of the trim thrust required for any desired flight path angle. Together they form an energy management system to provide harmonious display indications of current aircraft motions and required corrective action, minimize gust upset tendencies, minimize unsafe aircraft excursions, and maintain satisfactory ride qualities. A preliminary fixed-base piloted simulation verified the analysis and provided a shakedown for a more sophisticated moving-base simulation to be accomplished next. This preliminary simulation utilized a flight scenario concept combining piloting tasks, random turbulence, and discrete gusts to create a high but realistic pilot workload conducive to pilot error and potential upset. The turbulence director (energy management) system significantly reduced pilot workload and minimized unsafe aircraft excursions.

  16. Simulation of low-energy ion scattering

    NASA Astrophysics Data System (ADS)

    Langelaar, M. H.; Breeman, M.; Mijiritskii, A. V.; Boerma, D. O.

    A new simulation program `MATCH' has been developed for a detailed analysis of low-energy ion scattering (LEIS) and recoiling data. Instead of performing the full calculation of the three-dimensional trajectories through the sample from the ion source towards the detector, incoming trajectories as well as reversed-time outgoing trajectories are calculated, separately. Finally, these trajectories are matched to obtain the yield. The program has been tested for spectra and azimuthal scans of scattering and recoiling events of various sample species in different scattering geometries.

  17. An atmospheric energy analysis of the impact of satellite lidar winds and TIROS temperatures in global simulations

    NASA Technical Reports Server (NTRS)

    Keller, Linda M.; Johnson, Donald R.

    1992-01-01

    A study of the effects on forecast accuracy of adding wind-profiler data is conducted. An observing system simulation test is employed that assumes a sufficient concentration of aerosols to provide global wind profiles (a best case scenario). The simulated data for the series of five day forecasts are produced from a twenty day integration utilizing the ECMWF model, which is also employed to produce the verification forecast for the five day period.

  18. Energy analysis sample building data

    NASA Astrophysics Data System (ADS)

    1981-03-01

    Sample building data for energy calculations necessary for the comparative analysis between the proposed energy calculation procedure and the procedures using comprehensive hourly simulation of HVAC systems are presented. The comparison calculation includes data for the terminal reheat system, double-duct system, heat reclaim system, and standard VAV system for a hypothetical 20-story office building in Washington, DC. Each is evaluated in conjunction with electric centrifugal chiller and gas-fired boiler.

  19. JASMINE -- Data analysis and simulation --

    NASA Astrophysics Data System (ADS)

    Yamada, Y.; Gouda, N.; Kobayashi, Y.; Yano, T.; Jasmine Working Group

    Japan Astrometry Satellite Mission for INfrared Exploration JASMINE project stands at the stage where its basic design will be determined in a few years Then it is very important to simulate the data stream generated by astrometric fields at JASMINE in order to support investigations of error budgets sampling strategy data compression data analysis scientific performances etc We construct a simulation system that should include all objects in JASMINE such as observation techniques models of instruments and bus design orbit data transfer data analysis etc in order to resolve all issues which can be expected beforehand and make it easy to cope with some unexpected problems which might occurre during the mission of JASMINE For position reconstruction we are required to determine positions of stars and instrument attitudes simultaneously For doing this overwrapping focal plane images with high accuracy is needed We use statistical method which is used in Support Vector Machine for optimizing observation programm For getting high accuracy observations we also required to detect attitude error from mission data Principal Component Analysis is effective for this perpose In this poster presentation we explain topics on the data analysis and system simulation for JASMINE project

  20. Data, exergy, and energy analysis of a vertical-bore, ground-source heat pump to for domestic water heating under simulated occupancy conditions

    SciTech Connect

    Ally, Moonis Raza; Munk, Jeffrey D.; Baxter, Van D.; Gehl, Anthony C.

    2015-05-27

    Evidence is provided to support the view that greater than two-thirds of energy required to produce domestic hot water may be extracted from the ground which serves as renewable energy resource. The case refers to a 345 m2 research house located in Oak Ridge, Tennessee, 36.01 N 84.26 W in a mixed-humid climate with HDD of 2218 C-days (3993 F-days) and CDD of 723 C-days (1301 F-days). The house is operated under simulated occupancy conditions in which the hot water use protocol is based on the Building America Research Benchmark Definition (Hendron 2008; Hendron and Engebrecht 2010) which captures the water consumption lifestyles of the average family in the United States. The 5.275 (1.5-ton) water-to-water ground source heat pump (WW-GSHP) shared the same vertical bore with a 7.56 KW water-to-air ground source heat pump for space conditioning the same house. Energy and exergy analysis of data collected continuously over a twelve month period provide performance metrics and sources of inherent systemic inefficiencies. Data and analyses are vital to better understand how WW-GSHPs may be further improved to enable the ground to be used as a renewable energy resource.

  1. Data, exergy, and energy analysis of a vertical-bore, ground-source heat pump to for domestic water heating under simulated occupancy conditions

    DOE PAGESBeta

    Ally, Moonis Raza; Munk, Jeffrey D.; Baxter, Van D.; Gehl, Anthony C.

    2015-05-27

    Evidence is provided to support the view that greater than two-thirds of energy required to produce domestic hot water may be extracted from the ground which serves as renewable energy resource. The case refers to a 345 m2 research house located in Oak Ridge, Tennessee, 36.01 N 84.26 W in a mixed-humid climate with HDD of 2218 C-days (3993 F-days) and CDD of 723 C-days (1301 F-days). The house is operated under simulated occupancy conditions in which the hot water use protocol is based on the Building America Research Benchmark Definition (Hendron 2008; Hendron and Engebrecht 2010) which captures themore » water consumption lifestyles of the average family in the United States. The 5.275 (1.5-ton) water-to-water ground source heat pump (WW-GSHP) shared the same vertical bore with a 7.56 KW water-to-air ground source heat pump for space conditioning the same house. Energy and exergy analysis of data collected continuously over a twelve month period provide performance metrics and sources of inherent systemic inefficiencies. Data and analyses are vital to better understand how WW-GSHPs may be further improved to enable the ground to be used as a renewable energy resource.« less

  2. The mesoscale forcing of a midlatitude upper-tropospheric jet streak by a simulated convective system. 2: Kinetic energy and resolution analysis

    NASA Technical Reports Server (NTRS)

    Wolf, Bart J.; Johnson, D. R.

    1995-01-01

    A kinetic energy (KE) analysis of the forcing of a mesoscale upper-tropospheric jet streak by organized diabatic processes within the simulated convective system (SCS) that was discussed in Part 1 is presented in this study. The relative contributions of the ageostrophic components of motion to the generation of KE of the convectively generated jet streak are compared, along with the KE generation by the rotational (nondivergent) and irrotational (divergent) mass transport. The sensitivity of the numerical simulations of SCS development to resolution is also briefly examined. Analysis within isentropic coordinates provides for an explicit determination of the influence of the diabatic processes on the generation of KE. The upper-level production of specific KE is due predominatly to the inertial advective ageostrophic component (IAD), and as such represents the primary process through which the KE of the convectively generated jet streak is realized. A secondary contribution by the inertial diabatic (IDI) term is observed. Partitioning the KE generation into its rotational and irrotational components reveals that the latter, which is directly linked to the diabatic heating within the SCS through isentropic continuity requirements, is the ultimate source of KE generation as the global area integral of generation by the rotational component vanishes. Comparison with an identical dry simulation reveals that the net generation of KE must be attributed to latent heating. Both the IAD and IDI ageostrophic components play important roles in this regard. Examination of results from simulations conducted at several resolutions supports the previous findings in that the effects of diabatic processes and ageostrophic motion on KE generation remain consistent. Resolution does impact the location and timing of SCS development, a result that has important implications in forecasting the onset of convection that develops from evolution of the large-scale flow and moisture

  3. A Simulated Growth Hormone Analysis

    NASA Astrophysics Data System (ADS)

    Harris, Mary

    1996-08-01

    Growth hormone is a drug that is sometimes abused by amateur or professional athletes for performance-enhancement. This laboratory is a semimicroscale simulation analysis of a sample of "urine" to detect proteins of two very different molecular weights. Gel filtration uses a 10 mL disposable pipette packed with Sephadex. Students analyze the fractions from the filtration by comparing colors of the Brilliant Blue Coomassie Dye as it interacts with the proteins in the sample to a standard set of known concentration of protein with the dye. The simulated analysis of growth hormone is intended to be included in a unit on organic chemistry or in the second year of high school chemistry.

  4. Simulation based analysis of laser beam brazing

    NASA Astrophysics Data System (ADS)

    Dobler, Michael; Wiethop, Philipp; Schmid, Daniel; Schmidt, Michael

    2016-03-01

    Laser beam brazing is a well-established joining technology in car body manufacturing with main applications in the joining of divided tailgates and the joining of roof and side panels. A key advantage of laser brazed joints is the seam's visual quality which satisfies highest requirements. However, the laser beam brazing process is very complex and process dynamics are only partially understood. In order to gain deeper knowledge of the laser beam brazing process, to determine optimal process parameters and to test process variants, a transient three-dimensional simulation model of laser beam brazing is developed. This model takes into account energy input, heat transfer as well as fluid and wetting dynamics that lead to the formation of the brazing seam. A validation of the simulation model is performed by metallographic analysis and thermocouple measurements for different parameter sets of the brazing process. These results show that the multi-physical simulation model not only can be used to gain insight into the laser brazing process but also offers the possibility of process optimization in industrial applications. The model's capabilities in determining optimal process parameters are exemplarily shown for the laser power. Small deviations in the energy input can affect the brazing results significantly. Therefore, the simulation model is used to analyze the effect of the lateral laser beam position on the energy input and the resulting brazing seam.

  5. Energy Sector Market Analysis

    SciTech Connect

    Arent, D.; Benioff, R.; Mosey, G.; Bird, L.; Brown, J.; Brown, E.; Vimmerstedt, L.; Aabakken, J.; Parks, K.; Lapsa, M.; Davis, S.; Olszewski, M.; Cox, D.; McElhaney, K.; Hadley, S.; Hostick, D.; Nicholls, A.; McDonald, S.; Holloman, B.

    2006-10-01

    This paper presents the results of energy market analysis sponsored by the Department of Energy's (DOE) Weatherization and International Program (WIP) within the Office of Energy Efficiency and Renewable Energy (EERE). The analysis was conducted by a team of DOE laboratory experts from the National Renewable Energy Laboratory (NREL), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL), with additional input from Lawrence Berkeley National Laboratory (LBNL). The analysis was structured to identify those markets and niches where government can create the biggest impact by informing management decisions in the private and public sectors. The analysis identifies those markets and niches where opportunities exist for increasing energy efficiency and renewable energy use.

  6. Building energy analysis tool

    DOEpatents

    Brackney, Larry; Parker, Andrew; Long, Nicholas; Metzger, Ian; Dean, Jesse; Lisell, Lars

    2016-04-12

    A building energy analysis system includes a building component library configured to store a plurality of building components, a modeling tool configured to access the building component library and create a building model of a building under analysis using building spatial data and using selected building components of the plurality of building components stored in the building component library, a building analysis engine configured to operate the building model and generate a baseline energy model of the building under analysis and further configured to apply one or more energy conservation measures to the baseline energy model in order to generate one or more corresponding optimized energy models, and a recommendation tool configured to assess the one or more optimized energy models against the baseline energy model and generate recommendations for substitute building components or modifications.

  7. Multiphysics simulations of nanoarchitectures and analysis of germanium core-shell anode nanostructure for lithium-ion energy storage applications

    NASA Astrophysics Data System (ADS)

    Clancy, T.; Rohan, J. F.

    2015-12-01

    This paper reports multiphysics simulations (COMSOL) of relatively low conductive cathode oxide materials in nanoarchitectures that operate within the appropriate potential range (cut-off voltage 2.5 V) at 3 times the C-rate of micron scale thin film materials while still accessing 90% of material. This paper also reports a novel anode fabrication of Ge sputtered on a Cu nanotube current collector for lithium-ion batteries. Ge on Cu nanotubes is shown to alleviate the effect of volume expansion, enhancing mechanical stability at the nanoscale and improved the electronic characteristics for increased rate capabilities.

  8. Nuclear Energy Advanced Modeling and Simulation (NEAMS) waste Integrated Performance and Safety Codes (IPSC) : gap analysis for high fidelity and performance assessment code development.

    SciTech Connect

    Lee, Joon H.; Siegel, Malcolm Dean; Arguello, Jose Guadalupe, Jr.; Webb, Stephen Walter; Dewers, Thomas A.; Mariner, Paul E.; Edwards, Harold Carter; Fuller, Timothy J.; Freeze, Geoffrey A.; Jove-Colon, Carlos F.; Wang, Yifeng

    2011-03-01

    This report describes a gap analysis performed in the process of developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with rigorous verification, validation, and software quality requirements. The gap analyses documented in this report were are performed during an initial gap analysis to identify candidate codes and tools to support the development and integration of the Waste IPSC, and during follow-on activities that delved into more detailed assessments of the various codes that were acquired, studied, and tested. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. The gap analysis indicates that significant capabilities may already exist in the existing THC codes although there is no single code able to fully account for all physical and chemical processes involved in a waste disposal system. Large gaps exist in modeling chemical processes and their couplings with other processes. The coupling of chemical processes with flow transport and mechanical deformation remains challenging. The data for extreme environments (e.g., for elevated temperature and high ionic strength media) that are

  9. Physics-Based Simulator for NEO Exploration Analysis & Simulation

    NASA Technical Reports Server (NTRS)

    Balaram, J.; Cameron, J.; Jain, A.; Kline, H.; Lim, C.; Mazhar, H.; Myint, S.; Nayar, H.; Patton, R.; Pomerantz, M.; Quadrelli, M.; Shakkotai, P.; Tso, K.

    2011-01-01

    As part of the Space Exploration Analysis and Simulation (SEAS) task, the National Aeronautics and Space Administration (NASA) is using physics-based simulations at NASA's Jet Propulsion Laboratory (JPL) to explore potential surface and near-surface mission operations at Near Earth Objects (NEOs). The simulator is under development at JPL and can be used to provide detailed analysis of various surface and near-surface NEO robotic and human exploration concepts. In this paper we describe the SEAS simulator and provide examples of recent mission systems and operations concepts investigated using the simulation. We also present related analysis work and tools developed for both the SEAS task as well as general modeling, analysis and simulation capabilites for asteroid/small-body objects.

  10. Dynamic Analysis of Nuclear Energy System Strategies

    Energy Science and Technology Software Center (ESTSC)

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims atmore » performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.« less

  11. Influence of the R823W mutation on the interaction of the ANKS6-ANKS3: insights from molecular dynamics simulation and free energy analysis.

    PubMed

    Kan, Wei; Fang, Fengqin; Chen, Lin; Wang, Ruige; Deng, Qigang

    2016-05-01

    The sterile alpha motif (SAM) domain of the protein ANKS6, a protein-protein interaction domain, is responsible for autosomal dominant polycystic kidney disease. Although the disease is the result of the R823W point mutation in the SAM domain of the protein ANKS6, the molecular details are still unclear. We applied molecular dynamics simulations, the principal component analysis, and the molecular mechanics Poisson-Boltzmann surface area binding free energy calculation to explore the structural and dynamic effects of the R823W point mutation on the complex ANKS6-ANKS3 (PDB ID: 4NL9) in comparison to the wild proteins. The energetic analysis presents that the wild type has a more stable structure than the mutant. The R823W point mutation not only disrupts the structure of the ANKS6 SAM domain but also negatively affects the interaction of the ANKS6-ANKS3. These results further clarify the previous experiments to understand the ANKS6-ANKS3 interaction comprehensively. In summary, this study would provide useful suggestions to understand the interaction of these proteins and their fatal action on mediating kidney function. PMID:26295479

  12. Crisis on Mars: Classroom Energy Simulation.

    ERIC Educational Resources Information Center

    Pribble, Donald A.

    1979-01-01

    Described in this article is an energy conservation simulation game in which students participate in a space mission to Mars. Activities such as decision making, valuing, and problem solving occur during the game. (SA)

  13. Simulation of proton-induced energy deposition in integrated circuits

    NASA Technical Reports Server (NTRS)

    Fernald, Kenneth W.; Kerns, Sherra E.

    1988-01-01

    A time-efficient simulation technique was developed for modeling the energy deposition by incident protons in modern integrated circuits. To avoid the excessive computer time required by many proton-effects simulators, a stochastic method was chosen to model the various physical effects responsible for energy deposition by incident protons. Using probability density functions to describe the nuclear reactions responsible for most proton-induced memory upsets, the simulator determines the probability of a proton hit depositing the energy necessary for circuit destabilization. This factor is combined with various circuit parameters to determine the expected error-rate in a given proton environment. An analysis of transient or dose-rate effects is also performed. A comparison to experimental energy-disposition data proves the simulator to be quite accurate for predicting the expected number of events in certain integrated circuits.

  14. Advancement of DOE's EnergyPlus Building Energy Simulation Payment

    SciTech Connect

    Gu, Lixing; Shirey, Don; Raustad, Richard; Nigusse, Bereket; Sharma, Chandan; Lawrie, Linda; Strand, Rick; Pedersen, Curt; Fisher, Dan; Lee, Edwin; Witte, Mike; Glazer, Jason; Barnaby, Chip

    2011-09-30

    EnergyPlus{sup TM} is a new generation computer software analysis tool that has been developed, tested, and commercialized to support DOE's Building Technologies (BT) Program in terms of whole-building, component, and systems R&D (http://www.energyplus.gov). It is also being used to support evaluation and decision making of zero energy building (ZEB) energy efficiency and supply technologies during new building design and existing building retrofits. The 5-year project was managed by the National Energy Technology Laboratory and was divided into 5 budget period between 2006 and 2011. During the project period, 11 versions of EnergyPlus were released. This report summarizes work performed by an EnergyPlus development team led by the University of Central Florida's Florida Solar Energy Center (UCF/FSEC). The team members consist of DHL Consulting, C. O. Pedersen Associates, University of Illinois at Urbana-Champaign, Oklahoma State University, GARD Analytics, Inc., and WrightSoft Corporation. The project tasks involved new feature development, testing and validation, user support and training, and general EnergyPlus support. The team developed 146 new features during the 5-year period to advance the EnergyPlus capabilities. Annual contributions of new features are 7 in budget period 1, 19 in period 2, 36 in period 3, 41 in period 4, and 43 in period 5, respectively. The testing and validation task focused on running test suite and publishing report, developing new IEA test suite cases, testing and validating new source code, addressing change requests, and creating and testing installation package. The user support and training task provided support for users and interface developers, and organized and taught workshops. The general support task involved upgrading StarTeam (team sharing) software and updating existing utility software. The project met the DOE objectives and completed all tasks successfully. Although the EnergyPlus software was enhanced significantly

  15. Qgui: A high-throughput interface for automated setup and analysis of free energy calculations and empirical valence bond simulations in biological systems.

    PubMed

    Isaksen, Geir Villy; Andberg, Tor Arne Heim; Åqvist, Johan; Brandsdal, Bjørn Olav

    2015-07-01

    Structural information and activity data has increased rapidly for many protein targets during the last decades. In this paper, we present a high-throughput interface (Qgui) for automated free energy and empirical valence bond (EVB) calculations that use molecular dynamics (MD) simulations for conformational sampling. Applications to ligand binding using both the linear interaction energy (LIE) method and the free energy perturbation (FEP) technique are given using the estrogen receptor (ERα) as a model system. Examples of free energy profiles obtained using the EVB method for the rate-limiting step of the enzymatic reaction catalyzed by trypsin are also shown. In addition, we present calculation of high-precision Arrhenius plots to obtain the thermodynamic activation enthalpy and entropy with Qgui from running a large number of EVB simulations. PMID:26080356

  16. Improving Building Energy Simulation Programs Through Diagnostic Testing (Fact Sheet)

    SciTech Connect

    Not Available

    2012-02-01

    New test procedure evaluates quality and accuracy of energy analysis tools for the residential building retrofit market. Reducing the energy use of existing homes in the United States offers significant energy-saving opportunities, which can be identified through building simulation software tools that calculate optimal packages of efficiency measures. To improve the accuracy of energy analysis for residential buildings, the National Renewable Energy Laboratory's (NREL) Buildings Research team developed the Building Energy Simulation Test for Existing Homes (BESTEST-EX), a method for diagnosing and correcting errors in building energy audit software and calibration procedures. BESTEST-EX consists of building physics and utility bill calibration test cases, which software developers can use to compare their tools simulation findings to reference results generated with state-of-the-art simulation tools. Overall, the BESTEST-EX methodology: (1) Tests software predictions of retrofit energy savings in existing homes; (2) Ensures building physics calculations and utility bill calibration procedures perform to a minimum standard; and (3) Quantifies impacts of uncertainties in input audit data and occupant behavior. BESTEST-EX is helping software developers identify and correct bugs in their software, as well as develop and test utility bill calibration procedures.

  17. Performance calculation and simulation system of high energy laser weapon

    NASA Astrophysics Data System (ADS)

    Wang, Pei; Liu, Min; Su, Yu; Zhang, Ke

    2014-12-01

    High energy laser weapons are ready for some of today's most challenging military applications. Based on the analysis of the main tactical/technical index and combating process of high energy laser weapon, a performance calculation and simulation system of high energy laser weapon was established. Firstly, the index decomposition and workflow of high energy laser weapon was proposed. The entire system was composed of six parts, including classical target, platform of laser weapon, detect sensor, tracking and pointing control, laser atmosphere propagation and damage assessment module. Then, the index calculation modules were designed. Finally, anti-missile interception simulation was performed. The system can provide reference and basis for the analysis and evaluation of high energy laser weapon efficiency.

  18. Statistical Energy Analysis Program

    NASA Technical Reports Server (NTRS)

    Ferebee, R. C.; Trudell, R. W.; Yano, L. I.; Nygaard, S. I.

    1985-01-01

    Statistical Energy Analysis (SEA) is powerful tool for estimating highfrequency vibration spectra of complex structural systems and incorporated into computer program. Basic SEA analysis procedure divided into three steps: Idealization, parameter generation, and problem solution. SEA computer program written in FORTRAN V for batch execution.

  19. Revolutions in energy through modeling and simulation

    SciTech Connect

    Tatro, M.; Woodard, J.

    1998-08-01

    The development and application of energy technologies for all aspects from generation to storage have improved dramatically with the advent of advanced computational tools, particularly modeling and simulation. Modeling and simulation are not new to energy technology development, and have been used extensively ever since the first commercial computers were available. However, recent advances in computing power and access have broadened the extent and use, and, through increased fidelity (i.e., accuracy) of the models due to greatly enhanced computing power, the increased reliance on modeling and simulation has shifted the balance point between modeling and experimentation. The complex nature of energy technologies has motivated researchers to use these tools to understand better performance, reliability and cost issues related to energy. The tools originated in sciences such as the strength of materials (nuclear reactor containment vessels); physics, heat transfer and fluid flow (oil production); chemistry, physics, and electronics (photovoltaics); and geosciences and fluid flow (oil exploration and reservoir storage). Other tools include mathematics, such as statistics, for assessing project risks. This paper describes a few advancements made possible by these tools and explores the benefits and costs of their use, particularly as they relate to the acceleration of energy technology development. The computational complexity ranges from basic spreadsheets to complex numerical simulations using hardware ranging from personal computers (PCs) to Cray computers. In all cases, the benefits of using modeling and simulation relate to lower risks, accelerated technology development, or lower cost projects.

  20. Simulation and Analysis of SNRs in LAT Data Challenge 2

    SciTech Connect

    Tibolla, O.; Busetto, G.; Digel, S.; Longo, F.

    2007-07-12

    In 2006 the GLAST LAT collaboration organized a detailed simulation of 55 days of the gamma-ray sky and particle background in orbit to test the simulation and analysis tools of the collaboration. For this simulation, designated Data Challenge 2 (DC2), empirical models for SNRs as gamma-ray sources in the energy range of the LAT were developed, in most cases informed by X-ray or gamma-ray observations. The development of these models and an example of analysis of one of the simulated SNRs are described here.

  1. Simulation And Analysis of SNRs in LAT Data Challenge 2

    SciTech Connect

    Tibolla, O.; Busetto, G.; Digel, S.; Longo, F.; /Trieste U. /INFN, Trieste

    2007-11-13

    In 2006 the GLAST LAT collaboration organized a detailed simulation of 55 days of the gamma-ray sky and particle background in orbit to test the simulation and analysis tools of the collaboration. For this simulation, designated Data Challenge 2 (DC2), empirical models for SNRs as gamma-ray sources in the energy range of the LAT were developed, in most cases informed by X-ray or gamma-ray observations. The development of these models and an example of analysis of one of the simulated SNRs are described here.

  2. Simulation of Energy Management Systems in EnergyPlus

    SciTech Connect

    Ellis, P. G.; Torcellini, P. A.; Crawley, D.

    2008-01-01

    An energy management system (EMS) is a dedicated computer that can be programmed to control all of a building's energy-related systems, including heating, cooling, ventilation, hot water, interior lighting, exterior lighting, on-site power generation, and mechanized systems for shading devices, window actuators, and double facade elements. Recently a new module for simulating an EMS was added to the EnergyPlus whole-building energy simulation program. An essential part of the EMS module is the EnergyPlus Runtime Language (ERL), which is a simple programming language that is used to specify the EMS control algorithms. The new EMS controls and the flexibility of ERL allow EnergyPlus to simulate many novel control strategies that are not possible with the previous generation of building energy simulation programs. This paper surveys the standard controls in EnergyPlus, presents the new EMS features, describes the implementation of the module, and explores some of the possible applications for the new EMS capabilities in EnergyPlus.

  3. Accuracy analysis of distributed simulation systems

    NASA Astrophysics Data System (ADS)

    Lin, Qi; Guo, Jing

    2010-08-01

    Existed simulation works always emphasize on procedural verification, which put too much focus on the simulation models instead of simulation itself. As a result, researches on improving simulation accuracy are always limited in individual aspects. As accuracy is the key in simulation credibility assessment and fidelity study, it is important to give an all-round discussion of the accuracy of distributed simulation systems themselves. First, the major elements of distributed simulation systems are summarized, which can be used as the specific basis of definition, classification and description of accuracy of distributed simulation systems. In Part 2, the framework of accuracy of distributed simulation systems is presented in a comprehensive way, which makes it more sensible to analyze and assess the uncertainty of distributed simulation systems. The concept of accuracy of distributed simulation systems is divided into 4 other factors and analyzed respectively further more in Part 3. In Part 4, based on the formalized description of framework of accuracy analysis in distributed simulation systems, the practical approach are put forward, which can be applied to study unexpected or inaccurate simulation results. Following this, a real distributed simulation system based on HLA is taken as an example to verify the usefulness of the approach proposed. The results show that the method works well and is applicable in accuracy analysis of distributed simulation systems.

  4. Simulation of Flywheel Energy Storage System Controls

    NASA Technical Reports Server (NTRS)

    Truong, Long V.; Wolff, Frederick J.; Dravid, Narayan

    2001-01-01

    This paper presents the progress made in the controller design and operation of a flywheel energy storage system. The switching logic for the converter bridge circuit has been redefined to reduce line current harmonics, even at the highest operating speed of the permanent magnet motor-generator. An electromechanical machine model is utilized to simulate charge and discharge operation of the inertial energy in the flywheel. Controlling the magnitude of phase currents regulates the rate of charge and discharge. The resulting improvements are demonstrated by simulation.

  5. WEC-Sim (Wave Energy Converter - SIMulator)

    Energy Science and Technology Software Center (ESTSC)

    2014-11-26

    WEC-Sim (Wave Energy Converter SIMulator) is a code developed by Sandia National Laboratories and the National Renewable Energy Laboratory to model wave energy converters (WECs) when they are subject to operational waves. The code is a time-domain modeling tool developed in MATLAB/Simulink using the multi-body dynamics solver SimMechanics. In WEC-Sim, WECs are modeled by connecting rigid bodies to one another with joint or constraint blocks from the WEC-Sim library. WEC-Sim is a publicly available, open-sourcemore » code to model WECs.« less

  6. WEC-Sim (Wave Energy Converter - SIMulator)

    SciTech Connect

    2014-11-26

    WEC-Sim (Wave Energy Converter SIMulator) is a code developed by Sandia National Laboratories and the National Renewable Energy Laboratory to model wave energy converters (WECs) when they are subject to operational waves. The code is a time-domain modeling tool developed in MATLAB/Simulink using the multi-body dynamics solver SimMechanics. In WEC-Sim, WECs are modeled by connecting rigid bodies to one another with joint or constraint blocks from the WEC-Sim library. WEC-Sim is a publicly available, open-source code to model WECs.

  7. Error analysis using organizational simulation.

    PubMed Central

    Fridsma, D. B.

    2000-01-01

    Organizational simulations have been used by project organizations in civil and aerospace industries to identify work processes and organizational structures that are likely to fail under certain conditions. Using a simulation system based on Galbraith's information-processing theory and Simon's notion of bounded-rationality, we retrospectively modeled a chemotherapy administration error that occurred in a hospital setting. Our simulation suggested that when there is a high rate of unexpected events, the oncology fellow was differentially backlogged with work when compared with other organizational members. Alternative scenarios suggested that providing more knowledge resources to the oncology fellow improved her performance more effectively than adding additional staff to the organization. Although it is not possible to know whether this might have prevented the error, organizational simulation may be an effective tool to prospectively evaluate organizational "weak links", and explore alternative scenarios to correct potential organizational problems before they generate errors. PMID:11079885

  8. Residential Building Energy Analysis

    Energy Science and Technology Software Center (ESTSC)

    1990-09-01

    PEAR (Program for Energy Analysis of Residences) provides an easy-to-use and accurate method of estimating the energy and cost savings associated with various energy conservation measures in site-built single-family homes. Measures such as ceiling, wall, and floor insulation; different window type and glazing layers; infiltration levels; and equipment efficiency can be considered. PEAR also allows the user to consider the effects of roof and wall color, movable night insulation on the windows, reflective and heatmore » absorbing glass, an attached sunspace, and use of a night temperature setback. Regression techniques permit adjustments for different building geometries, window areas and orientations, wall construction, and extension of the data to 880 U.S. locations determined by climate parameters. Based on annual energy savings, user-specified costs of conservation measures, fuel, lifetime of measure, loan period, and fuel escalation and interest rates, PEAR calculates two economic indicators; the Simple Payback Period (SPP) and the Savings-to-Investment Ratio (SIR). Energy and cost savings of different sets of conservation measures can be compared in a single run. The program can be used both as a research tool by energy policy analysts and as a method for nontechnical energy calculation by architects, home builders, home owners, and others in the building industry.« less

  9. Residential Building Energy Analysis

    SciTech Connect

    Ritschard, R. L.

    1990-09-01

    PEAR (Program for Energy Analysis of Residences) provides an easy-to-use and accurate method of estimating the energy and cost savings associated with various energy conservation measures in site-built single-family homes. Measures such as ceiling, wall, and floor insulation; different window type and glazing layers; infiltration levels; and equipment efficiency can be considered. PEAR also allows the user to consider the effects of roof and wall color, movable night insulation on the windows, reflective and heat absorbing glass, an attached sunspace, and use of a night temperature setback. Regression techniques permit adjustments for different building geometries, window areas and orientations, wall construction, and extension of the data to 880 U.S. locations determined by climate parameters. Based on annual energy savings, user-specified costs of conservation measures, fuel, lifetime of measure, loan period, and fuel escalation and interest rates, PEAR calculates two economic indicators; the Simple Payback Period (SPP) and the Savings-to-Investment Ratio (SIR). Energy and cost savings of different sets of conservation measures can be compared in a single run. The program can be used both as a research tool by energy policy analysts and as a method for nontechnical energy calculation by architects, home builders, home owners, and others in the building industry.

  10. Numerical simulation of magma energy extraction

    SciTech Connect

    Hickox, C.E.

    1991-01-01

    The Magma Energy Program is a speculative endeavor regarding practical utility of electrical power production from the thermal energy which reside in magma. The systematic investigation has identified an number of research areas which have application to the utilization of magma energy and to the field of geothermal energy. Eight topics were identified which involve thermal processes and which are areas for the application of the techniques of numerical simulation. These areas are: (1) two-phase flow of the working fluid in the wellbore, (2) thermodynamic cycles for the production of electrical power, (3) optimization of the entire system, (4) solidification and fracturing of the magma caused by the energy extraction process, (5) heat transfer and fluid flow within an open, direct-contact, heat-exchanger, (6) thermal convection in the overlying geothermal region, (7) thermal convection within the magma body, and (8) induced natural convection near the thermal energy extraction device. Modeling issues have been identified which will require systematic investigation in order to develop the most appropriate strategies for numerical simulation. It appears that numerical simulations will be of ever increasing importance to the study of geothermal processes as the size and complexity of the systems of interest increase. It is anticipated that, in the future, greater emphasis will be placed on the numerical simulation of large-scale, three-dimensional, transient, mixed convection in viscous flows and porous media. Increased computational capabilities, e.g.; massively parallel computers, will allow for the detailed study of specific processes in fractured media, non-Darcy effects in porous media, and non-Newtonian effects. 23 refs., 13 figs., 1 tab.

  11. A simulation of high energy cosmic ray propagation 1

    NASA Technical Reports Server (NTRS)

    Honda, M.; Kifune, T.; Matsubara, Y.; Mori, M.; Nishijima, K.; Teshima, M.

    1985-01-01

    High energy cosmic ray propagation of the energy region 10 to the 14.5 power - 10 to the 18th power eV is simulated in the inter steller circumstances. In conclusion, the diffusion process by turbulent magnetic fields is classified into several regions by ratio of the gyro-radius and the scale of turbulence. When the ratio becomes larger then 10 to the minus 0.5 power, the analysis with the assumption of point scattering can be applied with the mean free path E sup 2. However, when the ratio is smaller than 10 to the minus 0.5 power, we need a more complicated analysis or simulation. Assuming the turbulence scale of magnetic fields of the Galaxy is 10-30pc and the mean magnetic field strength is 3 micro gauss, the energy of cosmic ray with that gyro-radius is about 10 to the 16.5 power eV.

  12. Simulation of High Energy Density Laboratory Plasmas

    NASA Astrophysics Data System (ADS)

    Guzik, Joyce

    2004-05-01

    High Energy Density plasmas are found in astrophysical environments, have been generated in past underground nuclear tests, and can be created in the laboratory by, e.g. laser or pulsed power experiments. These experiments can be used to validate simulation capabilities that are being developed to advance our understanding of plasma physics, and to develop predictive capabilities for HED plasma applications such as fusion energy. In this talk we will briefly introduce the subject of simulating HED plasmas using radiation hydrodynamics codes. We will give examples of simple test problems, showing how a problem is approached, including geometry specifications, simplifying assumptions, zoning, initial and boundary conditions, basic data on opacities and EOS, and illustrate sensitivities of results to variations. We will also show highlights of work at Los Alamos to validate codes, provide basic data, and develop applications, for example: 1) studying phenomena such as Rayleigh-Taylor and Richtmeyer-Meshkov instabilities, ablation, and supersonic jets at the Omega laser in Rochester and the Sandia Z Machine; 2) quantum molecular dynamics simulations which have recently led to a semi-classical, particle-particle particle-mesh code that allows ultra-fast simulations involving tens of thousands of particles to calculate properties of hot dense plasmas; 3) efforts to experimentally demonstrate the physics basis for magnetized target fusion (MTF), a potentially low cost path to fusion, intermediate in plasma regime between magnetic and inertial fusion energy.

  13. Simulating the energy performance of holographic glazings

    NASA Astrophysics Data System (ADS)

    Papamichael, K.; Beltran, L.; Furler, Reto; Lee, E. S.; Selkowitz, Steven E.; Rubin, Michael

    1994-09-01

    The light diffraction properties of holographic diffractive structures present an opportunity to improve the daylight performance in side-lit office spaces by redirecting and reflecting sunlight off the ceiling, providing adequate daylight illumination up to 30 ft (9.14 m) from the window wall. Prior studies of prototypical holographic glazings, installed above conventional `view' windows, have shown increased daylight levels over a deeper perimeter area than clear glass, for selected sun positions. In this study, we report on the simulation of the energy performance of prototypical holographic glazings assuming a commercial office building in the inland Los Angeles climate. The simulation of the energy performance involved determination of both luminous and thermal performance. Since the optical complexity of holographic glazings prevented the use of conventional algorithms for the simulation of their luminous performance, we used a newly developed method that combines experimentally determined directional workplane illuminance coefficients with computer-based analytical routines to determine a comprehensive set of daylight factors for many sun positions. These daylight factors were then used within the DOE-2.1D energy simulation program to determine hourly daylight and energy performance over the course of an entire year for four window orientations. Since the prototypical holographic diffractive structures considered in this study were applied on single pane clear glass, we also simulated the performance of hypothetical glazings, assuming the daylight performance of the prototype holographic glazings and the thermal performance of double-pane and low-e glazings. Finally, we addressed various design and implementation issues towards potential performance improvement.

  14. Reasoning about energy in qualitative simulation

    NASA Technical Reports Server (NTRS)

    Fouche, Pierre; Kuipers, Benjamin J.

    1992-01-01

    While possible behaviors of a mechanism that are consistent with an incomplete state of knowledge can be predicted through qualitative modeling and simulation, spurious behaviors corresponding to no solution of any ordinary differential equation consistent with the model may be generated. The present method for energy-related reasoning eliminates an important source of spurious behaviors, as demonstrated by its application to a nonlinear, proportional-integral controlled. It is shown that such qualitative properties of such a system as stability and zero-offset control are captured by the simulation.

  15. Technical Highlight: NREL Improves Building Energy Simulation Programs Through Diagnostic Testing

    SciTech Connect

    Polly, B.

    2012-01-09

    This technical highlight describes NREL research to develop Building Energy Simulation Test for Existing Homes (BESTEST-EX) to increase the quality and accuracy of energy analysis tools for the building retrofit market.

  16. Simulation and analysis of solenoidal ion sources

    SciTech Connect

    Alderwick, A. R.; Jardine, A. P.; Hedgeland, H.; MacLaren, D. A.; Allison, W.; Ellis, J.

    2008-12-15

    We present a detailed analysis and simulation of solenoidal, magnetically confined electron bombardment ion sources, aimed at molecular beam detection. The aim is to achieve high efficiency for singly ionized species while minimizing multiple ionization. Electron space charge plays a major role and we apply combined ray tracing and finite element simulations to determine the properties of a realistic geometry. The factors controlling electron injection and ion extraction are discussed. The results from simulations are benchmarked against experimental measurements on a prototype source.

  17. Free energy of steps using atomistic simulations

    NASA Astrophysics Data System (ADS)

    Freitas, Rodrigo; Frolov, Timofey; Asta, Mark

    The properties of solid-liquid interfaces are known to play critical roles in solidification processes. Particularly special importance is given to thermodynamic quantities that describe the equilibrium state of these surfaces. For example, on the solid-liquid-vapor heteroepitaxial growth of semiconductor nanowires the crystal nucleation process on the faceted solid-liquid interface is influenced by the solid-liquid and vapor-solid interfacial free energies, and also by the free energies of associated steps at these faceted interfaces. Crystal-growth theories and mesoscale simulation methods depend on quantitative information about these properties, which are often poorly characterized from experimental measurements. In this work we propose an extension of the capillary fluctuation method for calculation of the free energy of steps on faceted crystal surfaces. From equilibrium atomistic simulations of steps on (111) surfaces of Copper we computed accurately the step free energy for different step orientations. We show that the step free energy remains finite at all temperature up to the melting point and that the results obtained agree with the more well established method of thermodynamic integration if finite size effects are taken into account. The research of RF and MA at UC Berkeley were supported by the US National Science Foundation (Grant No. DMR-1105409). TF acknowledges support through a postdoctoral fellowship from the Miller Institute for Basic Research in Science.

  18. Plans for wind energy system simulation

    NASA Technical Reports Server (NTRS)

    Dreier, M. E.

    1978-01-01

    A digital computer code and a special purpose hybrid computer, were introduced. The digital computer program, the Root Perturbation Method or RPM, is an implementation of the classic floquet procedure which circumvents numerical problems associated with the extraction of Floquet roots. The hybrid computer, the Wind Energy System Time domain simulator (WEST), yields real time loads and deformation information essential to design and system stability investigations.

  19. Integrating software architectures for distributed simulations and simulation analysis communities.

    SciTech Connect

    Goldsby, Michael E.; Fellig, Daniel; Linebarger, John Michael; Moore, Patrick Curtis; Sa, Timothy J.; Hawley, Marilyn F.

    2005-10-01

    The one-year Software Architecture LDRD (No.79819) was a cross-site effort between Sandia California and Sandia New Mexico. The purpose of this research was to further develop and demonstrate integrating software architecture frameworks for distributed simulation and distributed collaboration in the homeland security domain. The integrated frameworks were initially developed through the Weapons of Mass Destruction Decision Analysis Center (WMD-DAC), sited at SNL/CA, and the National Infrastructure Simulation & Analysis Center (NISAC), sited at SNL/NM. The primary deliverable was a demonstration of both a federation of distributed simulations and a federation of distributed collaborative simulation analysis communities in the context of the same integrated scenario, which was the release of smallpox in San Diego, California. To our knowledge this was the first time such a combination of federations under a single scenario has ever been demonstrated. A secondary deliverable was the creation of the standalone GroupMeld{trademark} collaboration client, which uses the GroupMeld{trademark} synchronous collaboration framework. In addition, a small pilot experiment that used both integrating frameworks allowed a greater range of crisis management options to be performed and evaluated than would have been possible without the use of the frameworks.

  20. Simulation modeling and analysis with Arena

    SciTech Connect

    Tayfur Altiok; Benjamin Melamed

    2007-06-15

    The textbook which treats the essentials of the Monte Carlo discrete-event simulation methodology, and does so in the context of a popular Arena simulation environment. It treats simulation modeling as an in-vitro laboratory that facilitates the understanding of complex systems and experimentation with what-if scenarios in order to estimate their performance metrics. The book contains chapters on the simulation modeling methodology and the underpinnings of discrete-event systems, as well as the relevant underlying probability, statistics, stochastic processes, input analysis, model validation and output analysis. All simulation-related concepts are illustrated in numerous Arena examples, encompassing production lines, manufacturing and inventory systems, transportation systems, and computer information systems in networked settings. Chapter 13.3.3 is on coal loading operations on barges/tugboats.

  1. Visual analysis and steering of flooding simulations.

    PubMed

    Ribičić, Hrvoje; Waser, Jürgen; Fuchs, Raphael; Blöschl, Günter; Gröller, Eduard

    2013-06-01

    We present a visualization tool for the real-time analysis of interactively steered ensemble-simulation runs, and apply it to flooding simulations. Simulations are performed on-the-fly, generating large quantities of data. The user wants to make sense of the data as it is created. The tool facilitates understanding of what happens in all scenarios, where important events occur, and how simulation runs are related. We combine different approaches to achieve this goal. To maintain an overview, data are aggregated and embedded into the simulation rendering, showing trends, outliers, and robustness. For a detailed view, we use information-visualization views and interactive visual analysis techniques. A selection mechanism connects the two approaches. Points of interest are selected by clicking on aggregates, supplying data for visual analysis. This allows the user to maintain an overview of the ensemble and perform analysis even as new data are supplied through simulation steering. Unexpected or unwanted developments are detected easily, and the user can focus the exploration on them. The solution was evaluated with two case studies focusing on placing and testing flood defense measures. Both were evaluated by a consortium of flood simulation and defense experts, who found the system to be both intuitive and relevant. PMID:23559514

  2. Analysis and Optimization of Building Energy Consumption

    NASA Astrophysics Data System (ADS)

    Chuah, Jun Wei

    Energy is one of the most important resources required by modern human society. In 2010, energy expenditures represented 10% of global gross domestic product (GDP). By 2035, global energy consumption is expected to increase by more than 50% from current levels. The increased pace of global energy consumption leads to significant environmental and socioeconomic issues: (i) carbon emissions, from the burning of fossil fuels for energy, contribute to global warming, and (ii) increased energy expenditures lead to reduced standard of living. Efficient use of energy, through energy conservation measures, is an important step toward mitigating these effects. Residential and commercial buildings represent a prime target for energy conservation, comprising 21% of global energy consumption and 40% of the total energy consumption in the United States. This thesis describes techniques for the analysis and optimization of building energy consumption. The thesis focuses on building retrofits and building energy simulation as key areas in building energy optimization and analysis. The thesis first discusses and evaluates building-level renewable energy generation as a solution toward building energy optimization. The thesis next describes a novel heating system, called localized heating. Under localized heating, building occupants are heated individually by directed radiant heaters, resulting in a considerably reduced heated space and significant heating energy savings. To support localized heating, a minimally-intrusive indoor occupant positioning system is described. The thesis then discusses occupant-level sensing (OLS) as the next frontier in building energy optimization. OLS captures the exact environmental conditions faced by each building occupant, using sensors that are carried by all building occupants. The information provided by OLS enables fine-grained optimization for unprecedented levels of energy efficiency and occupant comfort. The thesis also describes a retrofit

  3. Using Delft3D to Simulate Current Energy Conversion

    NASA Astrophysics Data System (ADS)

    James, S. C.; Chartrand, C.; Roberts, J.

    2015-12-01

    As public concern with renewable energy increases, current energy conversion (CEC) technology is being developed to optimize energy output and minimize environmental impact. CEC turbines generate energy from tidal and current systems and create wakes that interact with turbines located downstream of a device. The placement of devices can greatly influence power generation and structural reliability. CECs can also alter the ecosystem process surrounding the turbines, such as flow regimes, sediment dynamics, and water quality. Software is needed to investigate specific CEC sites to simulate power generation and hydrodynamic responses of a flow through a CEC turbine array. This work validates Delft3D against several flume experiments by simulating the power generation and hydrodynamic response of flow through a turbine or actuator disc(s). Model parameters are then calibrated against these data sets to reproduce momentum removal and wake recovery data with 3-D flow simulations. Simulated wake profiles and turbulence intensities compare favorably to the experimental data and demonstrate the utility and accuracy of a fast-running tool for future siting and analysis of CEC arrays in complex domains.

  4. Structure of the antiviral stavudine using quantum chemical methods: Complete conformational space analysis, 3D potential energy surfaces and solid state simulations

    NASA Astrophysics Data System (ADS)

    Alcolea Palafox, M.; Iza, N.

    2012-11-01

    The molecular structure and energy of the anti-HIV, 2',3'-didehydro-3'-deoxythymidine (D4T, stavudine or Zerit) nucleoside analogue was determined by using MP2, B3LYP and B971 quantum chemical methods. The global minimum was determined through 3D potential energy surfaces (PES). These surfaces were built by rotation of the exocyclic χ, γ and β torsional angles, in steps of 20°, and full optimization of the remaining parameters. As consequence 5832 geometries were final optimized. The search located 25 local minimum, 4 of which are by MP2 within a 2 kcal/mol electronic energy range of the global minimum. The whole conformational parameters as well as P, νmax were analyzed in all the stable conformers. The global minimum by MP2 corresponds to the calculated values of the exocyclic torsional angles: χ = -103.6°, β = 63.8° and γ = 60.6°. The results obtained are in accordance to those found in thymidine and in related anti-HIV nucleoside analogues. The effect of hydration on the two most stable conformers is analyzed by continuous and discrete models up to 20 water molecules. The solid state was also simulated. The dimer forms found in the crystal unit cell were accurately determined and they are in accordance to the X-ray data.

  5. SIMWEST - A simulation model for wind energy storage systems

    NASA Technical Reports Server (NTRS)

    Edsinger, R. W.; Warren, A. W.; Gordon, L. H.; Chang, G. C.

    1978-01-01

    This paper describes a comprehensive and efficient computer program for the modeling of wind energy systems with storage. The level of detail of SIMWEST (SImulation Model for Wind Energy STorage) is consistent with evaluating the economic feasibility as well as the general performance of wind energy systems with energy storage options. The software package consists of two basic programs and a library of system, environmental, and control components. The first program is a precompiler which allows the library components to be put together in building block form. The second program performs the technoeconomic system analysis with the required input/output, and the integration of system dynamics. An example of the application of the SIMWEST program to a current 100 kW wind energy storage system is given.

  6. Competing Uses of Underground Systems Related to Energy Supply: Applying Single- and Multiphase Simulations for Site Characterization and Risk-Analysis

    NASA Astrophysics Data System (ADS)

    Kissinger, A.; Walter, L.; Darcis, M.; Flemisch, B.; Class, H.

    2012-04-01

    Global climate change, shortage of resources and the resulting turn towards renewable sources of energy lead to a growing demand for the utilization of subsurface systems. Among these competing uses are Carbon Capture and Storage (CCS), geothermal energy, nuclear waste disposal, "renewable" methane or hydrogen storage as well as the ongoing production of fossil resources like oil, gas, and coal. Besides competing among themselves, these technologies may also create conflicts with essential public interests like water supply. For example, the injection of CO2 into the underground causes an increase in pressure reaching far beyond the actual radius of influence of the CO2 plume, potentially leading to large amounts of displaced salt water. Finding suitable sites is a demanding task for several reasons. Natural systems as opposed to technical systems are always characterized by heterogeneity. Therefore, parameter uncertainty impedes reliable predictions towards capacity and safety of a site. State of the art numerical simulations combined with stochastic approaches need to be used to obtain a more reliable assessment of the involved risks and the radii of influence of the different processes. These simulations may include the modeling of single- and multiphase non-isothermal flow, geo-chemical and geo-mechanical processes in order to describe all relevant physical processes adequately. Stochastic approaches have the aim to estimate a bandwidth of the key output parameters based on uncertain input parameters. Risks for these different underground uses can then be made comparable with each other. Along with the importance and the urgency of the competing processes this may lead to a more profound basis for a decision. Communicating risks to stake holders and a concerned public is crucial for the success of finding a suitable site for CCS (or other subsurface utilization). We present and discuss first steps towards an approach for addressing the issue of competitive

  7. Simulating granular materials by energy minimization

    NASA Astrophysics Data System (ADS)

    Krijgsman, D.; Luding, S.

    2016-03-01

    Discrete element methods are extremely helpful in understanding the complex behaviors of granular media, as they give valuable insight into all internal variables of the system. In this paper, a novel discrete element method for performing simulations of granular media is presented, based on the minimization of the potential energy in the system. Contrary to most discrete element methods (i.e., soft-particle method, event-driven method, and non-smooth contact dynamics), the system does not evolve by (approximately) integrating Newtons equations of motion in time, but rather by searching for mechanical equilibrium solutions for the positions of all particles in the system, which is mathematically equivalent to locally minimizing the potential energy. The new method allows for the rapid creation of jammed initial conditions (to be used for further studies) and for the simulation of quasi-static deformation problems. The major advantage of the new method is that it allows for truly static deformations. The system does not evolve with time, but rather with the externally applied strain or load, so that there is no kinetic energy in the system, in contrast to other quasi-static methods. The performance of the algorithm for both types of applications of the method is tested. Therefore we look at the required number of iterations, for the system to converge to a stable solution. For each single iteration, the required computational effort scales linearly with the number of particles. During the process of creating initial conditions, the required number of iterations for two-dimensional systems scales with the square root of the number of particles in the system. The required number of iterations increases for systems closer to the jamming packing fraction. For a quasi-static pure shear deformation simulation, the results of the new method are validated by regular soft-particle dynamics simulations. The energy minimization algorithm is able to capture the evolution of the

  8. Scalable Quantum Simulation of Molecular Energies

    NASA Astrophysics Data System (ADS)

    O'Malley, P. J. J.; Babbush, R.; Kivlichan, I. D.; Romero, J.; McClean, J. R.; Barends, R.; Kelly, J.; Roushan, P.; Tranter, A.; Ding, N.; Campbell, B.; Chen, Y.; Chen, Z.; Chiaro, B.; Dunsworth, A.; Fowler, A. G.; Jeffrey, E.; Lucero, E.; Megrant, A.; Mutus, J. Y.; Neeley, M.; Neill, C.; Quintana, C.; Sank, D.; Vainsencher, A.; Wenner, J.; White, T. C.; Coveney, P. V.; Love, P. J.; Neven, H.; Aspuru-Guzik, A.; Martinis, J. M.

    2016-07-01

    We report the first electronic structure calculation performed on a quantum computer without exponentially costly precompilation. We use a programmable array of superconducting qubits to compute the energy surface of molecular hydrogen using two distinct quantum algorithms. First, we experimentally execute the unitary coupled cluster method using the variational quantum eigensolver. Our efficient implementation predicts the correct dissociation energy to within chemical accuracy of the numerically exact result. Second, we experimentally demonstrate the canonical quantum algorithm for chemistry, which consists of Trotterization and quantum phase estimation. We compare the experimental performance of these approaches to show clear evidence that the variational quantum eigensolver is robust to certain errors. This error tolerance inspires hope that variational quantum simulations of classically intractable molecules may be viable in the near future.

  9. Automated Simulation For Analysis And Design

    NASA Technical Reports Server (NTRS)

    Cantwell, E.; Shenk, Tim; Robinson, Peter; Upadhye, R.

    1992-01-01

    Design Assistant Workstation (DAWN) software being developed to facilitate simulation of qualitative and quantitative aspects of behavior of life-support system in spacecraft, chemical-processing plant, heating and cooling system of large building, or any of variety of systems including interacting process streams and processes. Used to analyze alternative design scenarios or specific designs of such systems. Expert system will automate part of design analysis: reason independently by simulating design scenarios and return to designer with overall evaluations and recommendations.

  10. Multiresolution simulated annealing for brain image analysis

    NASA Astrophysics Data System (ADS)

    Loncaric, Sven; Majcenic, Zoran

    1999-05-01

    Analysis of biomedical images is an important step in quantification of various diseases such as human spontaneous intracerebral brain hemorrhage (ICH). In particular, the study of outcome in patients having ICH requires measurements of various ICH parameters such as hemorrhage volume and their change over time. A multiresolution probabilistic approach for segmentation of CT head images is presented in this work. This method views the segmentation problem as a pixel labeling problem. In this application the labels are: background, skull, brain tissue, and ICH. The proposed method is based on the Maximum A-Posteriori (MAP) estimation of the unknown pixel labels. The MAP method maximizes the a-posterior probability of segmented image given the observed (input) image. Markov random field (MRF) model has been used for the posterior distribution. The MAP estimation of the segmented image has been determined using the simulated annealing (SA) algorithm. The SA algorithm is used to minimize the energy function associated with MRF posterior distribution function. A multiresolution SA (MSA) has been developed to speed up the annealing process. MSA is presented in detail in this work. A knowledge-based classification based on the brightness, size, shape and relative position toward other regions is performed at the end of the procedure. The regions are identified as background, skull, brain, ICH and calcifications.

  11. Data Intensive Analysis of Biomolecular Simulations

    SciTech Connect

    Straatsma, TP

    2008-03-01

    The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just as in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an

  12. Data Intensive Analysis of Biomolecular Simulations

    SciTech Connect

    Straatsma, TP; Soares, Thereza A.

    2007-12-01

    The advances in biomolecular modeling and simulation made possible by the availability of increasingly powerful high performance computing resources is extending molecular simulations to biological more relevant system size and time scales. At the same time, advances in simulation methodologies are allowing more complex processes to be described more accurately. These developments make a systems approach to computational structural biology feasible, but this will require a focused emphasis on the comparative analysis of the increasing number of molecular simulations that are being carried out for biomolecular systems with more realistic models, multi-component environments, and for longer simulation times. Just as in the case of the analysis of the large data sources created by the new high-throughput experimental technologies, biomolecular computer simulations contribute to the progress in biology through comparative analysis. The continuing increase in available protein structures allows the comparative analysis of the role of structure and conformational flexibility in protein function, and is the foundation of the discipline of structural bioinformatics. This creates the opportunity to derive general findings from the comparative analysis of molecular dynamics simulations of a wide range of proteins, protein-protein complexes and other complex biological systems. Because of the importance of protein conformational dynamics for protein function, it is essential that the analysis of molecular trajectories is carried out using a novel, more integrative and systematic approach. We are developing a much needed rigorous computer science based framework for the efficient analysis of the increasingly large data sets resulting from molecular simulations. Such a suite of capabilities will also provide the required tools for access and analysis of a distributed library of generated trajectories. Our research is focusing on the following areas: (1) the development of an

  13. Testing simulation and structural models with applications to energy demand

    NASA Astrophysics Data System (ADS)

    Wolff, Hendrik

    2007-12-01

    This dissertation deals with energy demand and consists of two parts. Part one proposes a unified econometric framework for modeling energy demand and examples illustrate the benefits of the technique by estimating the elasticity of substitution between energy and capital. Part two assesses the energy conservation policy of Daylight Saving Time and empirically tests the performance of electricity simulation. In particular, the chapter "Imposing Monotonicity and Curvature on Flexible Functional Forms" proposes an estimator for inference using structural models derived from economic theory. This is motivated by the fact that in many areas of economic analysis theory restricts the shape as well as other characteristics of functions used to represent economic constructs. Specific contributions are (a) to increase the computational speed and tractability of imposing regularity conditions, (b) to provide regularity preserving point estimates, (c) to avoid biases existent in previous applications, and (d) to illustrate the benefits of our approach via numerical simulation results. The chapter "Can We Close the Gap between the Empirical Model and Economic Theory" discusses the more fundamental question of whether the imposition of a particular theory to a dataset is justified. I propose a hypothesis test to examine whether the estimated empirical model is consistent with the assumed economic theory. Although the proposed methodology could be applied to a wide set of economic models, this is particularly relevant for estimating policy parameters that affect energy markets. This is demonstrated by estimating the Slutsky matrix and the elasticity of substitution between energy and capital, which are crucial parameters used in computable general equilibrium models analyzing energy demand and the impacts of environmental regulations. Using the Berndt and Wood dataset, I find that capital and energy are complements and that the data are significantly consistent with duality

  14. The Energy-Environment Simulator as a Classroom Aid.

    ERIC Educational Resources Information Center

    Sell, Nancy J.; Van Koevering, Thomas E.

    1981-01-01

    Describes the use, availability, and flexibility of the Energy-Environment Simulator, a specially designed analog computer which simulates the real-world energy situation and which is programed with estimated United States and world supplies of energy sources and estimated United States energy demands. (MP)

  15. Automated Comparison of Building Energy Simulation Engines (Presentation)

    SciTech Connect

    Polly, B.; Horowitz, S.; Booten, B.; Kruis, N.; Christensen, C.

    2012-08-01

    This presentation describes the BEopt comparative test suite, which is a tool that facilitates the automated comparison of building energy simulation engines. It also demonstrates how the test suite is improving the accuracy of building energy simulation programs. Building energy simulation programs inform energy efficient design for new homes and energy efficient upgrades for existing homes. Stakeholders rely on accurate predictions from simulation programs. Previous research indicates that software tends to over-predict energy usage for poorly-insulated leaky homes. NREL is identifying, investigating, and resolving software inaccuracy issues. Comparative software testing is one method of many that NREL uses to identify potential software issues.

  16. Astronomy and Astrophysic Simulation and Analysis at NERSC

    NASA Astrophysics Data System (ADS)

    Gerber, Richard

    2014-04-01

    The National Energy Research Scientific Computing Center (NERSC) is the production High Performance Computing and Storage center for the DOE Office of Science. NERSC supports 4,500 users and 700 projects in the physical and biological sciences, including a number of highly successful, high-impact physics and astronomy projects in both simulation and data analysis. Recent successes at NERSC include Kepler spacecraft data analysis, creation of mock catalogs for BOSS, IceCube's discovery of high-energy astrophysical neutrinos, data analysis and simulation in support of the Planck satellite, and supernova discoveries from the PTF pipeline. In this presentation I will share some of these success stories and discuss what resources NERSC has available to support simulation, collaboration, data analysis, automated data transfers, data archiving, complex workflows, and data sharing/analysis through web portals. Iwill also summarize the findings from recent NERSC requirements planning reviews with the DOE Office of High Energy Physics and the national computing infrastructure section of the recent Snowmass report. Finally, I will describe how resources are allocated at NERSC and opportunities for collaborations with the center.

  17. TRANSIMS: Transportation analysis and simulation system

    SciTech Connect

    Smith, L.; Beckman, R.; Baggerly, K.

    1995-07-01

    This document summarizes the TRansportation ANalysis and SIMulation System (TRANSIMS) Project, the system`s major modules, and the project`s near-term plans. TRANSIMS will employ advanced computational and analytical techniques to create an integrated regional transportation systems analysis environment. The simulation environment will include a regional population of individual travelers and freight loads with travel activities and plans, whose individual interactions will be simulated on the transportation system, and whose environmental impact will be determined. We will develop an interim operational capability (IOC) for each major TRANSIMS module during the five-year program. When the IOC is ready, we will complete a specific case study to confirm the IOC features, applicability, and readiness.

  18. TRANSIMS: TRansportation ANalysis and SIMulation System

    SciTech Connect

    Smith, L.; Beckman, R.; Anson, D.; Nagel, K.; Williams, M.

    1995-08-01

    This paper summarizes the TRansportation ANalysis and SIMulation System (TRANSIMS) Project, the system`s major modules, and the project`s near-term plans. TRANSIMS will employ advanced computational and analytical techniques to create an integrated regional transportation systems analysis environment. The simulation environment will include a regional population of individual travelers and freight loads with travel activities and plans, whose individual interactions will be simulated on the transportation system, and whose environmental impact will be determined. We will develop an interim operational capability (IOC) for each major TRANSIMS module during the five-year program. When the IOC is ready, we will complete a specific case study to confirm the IOC features, applicability, and readiness.

  19. Energy analysis program. 1994 annual report

    SciTech Connect

    Levine, M.D.

    1995-04-01

    This report provides an energy analysis overview. The following topics are described: building energy analysis; urban and energy environmental issues; appliance energy efficiency standards; utility planning and policy; energy efficiency, economics, and policy issues; and international energy and environmental issues.

  20. Stochastic Simulation Tool for Aerospace Structural Analysis

    NASA Technical Reports Server (NTRS)

    Knight, Norman F.; Moore, David F.

    2006-01-01

    Stochastic simulation refers to incorporating the effects of design tolerances and uncertainties into the design analysis model and then determining their influence on the design. A high-level evaluation of one such stochastic simulation tool, the MSC.Robust Design tool by MSC.Software Corporation, has been conducted. This stochastic simulation tool provides structural analysts with a tool to interrogate their structural design based on their mathematical description of the design problem using finite element analysis methods. This tool leverages the analyst's prior investment in finite element model development of a particular design. The original finite element model is treated as the baseline structural analysis model for the stochastic simulations that are to be performed. A Monte Carlo approach is used by MSC.Robust Design to determine the effects of scatter in design input variables on response output parameters. The tool was not designed to provide a probabilistic assessment, but to assist engineers in understanding cause and effect. It is driven by a graphical-user interface and retains the engineer-in-the-loop strategy for design evaluation and improvement. The application problem for the evaluation is chosen to be a two-dimensional shell finite element model of a Space Shuttle wing leading-edge panel under re-entry aerodynamic loading. MSC.Robust Design adds value to the analysis effort by rapidly being able to identify design input variables whose variability causes the most influence in response output parameters.

  1. Efficient evaluation of collisional energy transfer terms for plasma particle simulations

    NASA Astrophysics Data System (ADS)

    Turrell, A. E.; Sherlock, M.; Rose, S. J.

    2016-01-01

    Particle-based simulations, such as in particle-in-cell (PIC) codes, are widely used in plasma physics research. The analysis of particle energy transfers, as described by the second moment of the Boltzmann equation, is often necessary within these simulations. We present computationally efficient, analytically derived equations for evaluating collisional energy transfer terms from simulations using discrete particles. The equations are expressed as a sum over the properties of the discrete particles.

  2. In-situ Data Analysis Framework for ACME Land Simulations

    NASA Astrophysics Data System (ADS)

    Wang, D.; Yao, C.; Jia, Y.; Steed, C.; Atchley, S.

    2015-12-01

    The realistic representation of key biogeophysical and biogeochemical functions is the fundamental of process-based ecosystem models. Investigating the behavior of those ecosystem functions within real-time model simulation can be a very challenging due to the complex of both model and software structure of an environmental model, such as the Accelerated Climate Model for Energy (ACME) Land Model (ALM). In this research, author will describe the urgent needs and challenges for in-situ data analysis for ALM simulations, and layouts our methods/strategies to meet these challenges. Specifically, an in-situ data analysis framework is designed to allow users interactively observe the biogeophyical and biogeochemical process during ALM simulation. There are two key components in this framework, automatically instrumented ecosystem simulation, in-situ data communication and large-scale data exploratory toolkit. This effort is developed by leveraging several active projects, including scientific unit testing platform, common communication interface and extreme-scale data exploratory toolkit. Authors believe that, based on advanced computing technologies, such as compiler-based software system analysis, automatic code instrumentation, and in-memory data transport, this software system provides not only much needed capability for real-time observation and in-situ data analytics for environmental model simulation, but also the potentials for in-situ model behavior adjustment via simulation steering.

  3. Energy-Systems Economic Analysis

    NASA Technical Reports Server (NTRS)

    Doane, J.; Slonski, M. L.; Borden, C. S.

    1982-01-01

    Energy Systems Economic Analysis (ESEA) program is flexible analytical tool for rank ordering of alternative energy systems. Basic ESEA approach derives an estimate of those costs incurred as result of purchasing, installing and operating an energy system. These costs, suitably aggregated into yearly costs over lifetime of system, are divided by expected yearly energy output to determine busbar energy costs. ESEA, developed in 1979, is written in FORTRAN IV for batch execution.

  4. Virtual Simulation of Vision 21 Energy Plants

    SciTech Connect

    Syamlal, Madhava; Felix, Paul E.; Osawe, Maxwell O.; Fiveland, Woodrow A.; Sloan, David G.; Zitney, Stephen E.; Joop, Frank; Cleetus, Joseph; Lapshin, Igor B.

    2001-11-06

    The Vision 21 Energy plants will be designed by combining several individual power, chemical, and fuel-conversion technologies. These independently developed technologies or technology modules can be interchanged and combined to form the complete Vision 21 plant that achieves the needed level of efficiency and environmental performance at affordable costs. The knowledge about each technology module must be captured in computer models so that the models can be linked together to simulate the entire Vision 21 power plant in a Virtual Simulation environment. Eventually the Virtual Simulation will find application in conceptual design, final design, plant operation and control, and operator training. In this project we take the first step towards developing such a Vision 21 Simulator. There are two main knowledge domains of a plant--the process domain (what is in the pipes), and the physical domain (the pipes and equipment that make up the plant). Over the past few decades, commercial software tools have been developed for each of these functions. However, there are three main problems that inhibit the design and operation of power plants: (1) Many of these tools, largely developed for chemicals and refining, have not been widely adopted in the power industry. (2) Tools are not integrated across functions. For example, the knowledge represented by computational fluid dynamics (CFD) models of equipment is not used in process-level simulations. (3) No tool exists for readily integrating the design and behavioral knowledge about components. These problems must be overcome to develop the Vision 21 Simulator. In this project our major objective is to achieve a seamless integration of equipment-level and process-level models and apply the integrated software to power plant simulations. Specifically we are developing user-friendly tools for linking process models (Aspen Plus) with detailed equipment models (FLUENT CFD and other proprietary models). Such integration will

  5. Miscible Applied Simulation Techniques for Energy Recovery

    Energy Science and Technology Software Center (ESTSC)

    2005-07-01

    During the use of MASTER at the New Mexico Petroleum Recovery Research Center (PRRC) as research division of New Mexico Institute of Mining and Technology a number of modification have been made to the original MASTER. We have worked at minimizing programming errors and incorporating a foaming option for surfactant solution (aqueous phase) injection altemating with gas (SAG) The original program checks and modifications performed at PRRC were under the direction of Dr. Shih-Hsien Changmore » under previous DOE contracts. The final modifications and completion of the documentation were performed by Dr. Zhengwen Zeng under DOE Contract Number DE-FG26-01BC15364. Drs. Chang and Zeng worked under Dr. Reid B. Grigg in the Gas Flooding Processes and Flow Heterogeneities Section of PRRC. This work is not intended to have any long-term support from the PRRC, but any errors should be reported to the Department of Energy for inclusion in future releases of MASTER. MASTER is an effective reservoir simulator for modeling a number of fluid flow problems and is a straight forward and economical program. We thank the Department of Energy for the original development of this program and the availability for our use.« less

  6. Calibrated Ultra Fast Image Simulations for the Dark Energy Survey

    NASA Astrophysics Data System (ADS)

    Bruderer, Claudio; Chang, Chihway; Refregier, Alexandre; Amara, Adam; Bergé, Joel; Gamper, Lukas

    2016-01-01

    Image simulations are becoming increasingly important in understanding the measurement process of the shapes of galaxies for weak lensing and the associated systematic effects. For this purpose we present the first implementation of the Monte Carlo Control Loops (MCCL), a coherent framework for studying systematic effects in weak lensing. It allows us to model and calibrate the shear measurement process using image simulations from the Ultra Fast Image Generator (UFig) and the image analysis software SExtractor. We apply this framework to a subset of the data taken during the Science Verification period (SV) of the Dark Energy Survey (DES). We calibrate the UFig simulations to be statistically consistent with one of the SV images, which covers ∼0.5 square degrees. We then perform tolerance analyses by perturbing six simulation parameters and study their impact on the shear measurement at the one-point level. This allows us to determine the relative importance of different parameters. For spatially constant systematic errors and point-spread function, the calibration of the simulation reaches the weak lensing precision needed for the DES SV survey area. Furthermore, we find a sensitivity of the shear measurement to the intrinsic ellipticity distribution, and an interplay between the magnitude-size and the pixel value diagnostics in constraining the noise model. This work is the first application of the MCCL framework to data and shows how it can be used to methodically study the impact of systematics on the cosmic shear measurement.

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

    NASA Astrophysics Data System (ADS)

    Bottaini, C.; Mirão, J.; Figuereido, M.; Candeias, A.; Brunetti, A.; Schiavon, N.

    2015-01-01

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

  8. Efficient Analysis of Simulations of the Sun's Magnetic Field

    NASA Astrophysics Data System (ADS)

    Scarborough, C. W.; Martínez-Sykora, J.

    2014-12-01

    Dynamics in the solar atmosphere, including solar flares, coronal mass ejections, micro-flares and different types of jets, are powered by the evolution of the sun's intense magnetic field. 3D Radiative Magnetohydrodnamics (MHD) computer simulations have furthered our understanding of the processes involved: When non aligned magnetic field lines reconnect, the alteration of the magnetic topology causes stored magnetic energy to be converted into thermal and kinetic energy. Detailed analysis of this evolution entails tracing magnetic field lines, an operation which is not time-efficient on a single processor. By utilizing a graphics card (GPU) to trace lines in parallel, conducting such analysis is made feasible. We applied our GPU implementation to the most advanced 3D Radiative-MHD simulations (Bifrost, Gudicksen et al. 2011) of the solar atmosphere in order to better understand the evolution of the modeled field lines.

  9. Guidelines for Energy Simulation of Commercial Buildings: Final.

    SciTech Connect

    Kaplan, Michael; Caner, Phoebe

    1992-03-01

    This report distills the experience gained from intensive computer building simulation work for the Energy Edge project. The purpose of this report is twofold: to use that experience to guide conservation program managers in their use of modeling, and to improve the accuracy of design-phase computer models. Though the main emphasis of the report is on new commercial construction, it also addresses modeling as it pertains to retrofit construction. To achieve these purposes, this report will: (1) discuss the value of modeling for energy conservation programs; (2) discuss strengths and weaknesses of computer models; (3) provide specific guidelines for model input; (4) discuss input topics that are unusually large drivers of energy use and model inaccuracy; (5) provide guidelines for developing baseline models; (6) discuss types of energy conservation measures (ECMs) and building operation that are not suitable to modeling and present possible alternatives to modeling for analysis; and (7) provide basic requirements for model documentation. This project was initiated to determine whether commercial buildings can be designed and constructed to use at least 30% less energy than if they were designed and built to meet the current regional model energy code, the Model Conservation Standards (MCS) developed by the Pacific Northwest Electric Power and Conservation Planning Council. Secondary objectives of the project are to determine the incremental energy savings of a wide variety of ECMs and to compare the predictive accuracy of design-phase models with models that are carefully tuned to monitored building data.

  10. Predesign energy analysis

    SciTech Connect

    1980-09-01

    A new graphic technique developed to help architects and engineers design more energy-efficient buildings is presented. An energy-efficient design includes two interrelated elements: physical design characteristics which minimize testing, cooling, and lighting loads; and mechanical and electrical subsystems which meet energy loads efficiently. The technique focuses on manipulation of design variables to effectively reduce excessive heat gains and losses. The technique, termed a visual one, is designed to show how a building uses energy. The technique described can also be done manually.

  11. WINS. Market Simulation Tool for Facilitating Wind Energy Integration

    SciTech Connect

    Shahidehpour, Mohammad

    2012-10-30

    Integrating 20% or more wind energy into the system and transmitting large sums of wind energy over long distances will require a decision making capability that can handle very large scale power systems with tens of thousands of buses and lines. There is a need to explore innovative analytical and implementation solutions for continuing reliable operations with the most economical integration of additional wind energy in power systems. A number of wind integration solution paths involve the adoption of new operating policies, dynamic scheduling of wind power across interties, pooling integration services, and adopting new transmission scheduling practices. Such practices can be examined by the decision tool developed by this project. This project developed a very efficient decision tool called Wind INtegration Simulator (WINS) and applied WINS to facilitate wind energy integration studies. WINS focused on augmenting the existing power utility capabilities to support collaborative planning, analysis, and wind integration project implementations. WINS also had the capability of simulating energy storage facilities so that feasibility studies of integrated wind energy system applications can be performed for systems with high wind energy penetrations. The development of WINS represents a major expansion of a very efficient decision tool called POwer Market Simulator (POMS), which was developed by IIT and has been used extensively for power system studies for decades. Specifically, WINS provides the following superiorities; (1) An integrated framework is included in WINS for the comprehensive modeling of DC transmission configurations, including mono-pole, bi-pole, tri-pole, back-to-back, and multi-terminal connection, as well as AC/DC converter models including current source converters (CSC) and voltage source converters (VSC); (2) An existing shortcoming of traditional decision tools for wind integration is the limited availability of user interface, i.e., decision

  12. Fluid Flow Simulation and Energetic Analysis of Anomalocarididae Locomotion

    NASA Astrophysics Data System (ADS)

    Mikel-Stites, Maxwell; Staples, Anne

    2014-11-01

    While an abundance of animal locomotion simulations have been performed modeling the motions of living arthropods and aquatic animals, little quantitative simulation and reconstruction of gait parameters has been done to model the locomotion of extinct animals, many of which bear little physical resemblance to their modern descendants. To that end, this project seeks to analyze potential swimming patterns used by the anomalocaridid family, (specifically Anomalocaris canadensis, a Cambrian Era aquatic predator), and determine the most probable modes of movement. This will serve to either verify or cast into question the current assumed movement patterns and properties of these animals and create a bridge between similar flexible-bodied swimmers and their robotic counterparts. This will be accomplished by particle-based fluid flow simulations of the flow around the fins of the animal, as well as an energy analysis of a variety of sample gaits. The energy analysis will then be compared to the extant information regarding speed/energy use curves in an attempt to determine which modes of swimming were most energy efficient for a given range of speeds. These results will provide a better understanding of how these long-extinct animals moved, possibly allowing an improved understanding of their behavioral patterns, and may also lead to a novel potential platform for bio-inspired underwater autonomous vehicles (UAVs).

  13. The perceived value of using BIM for energy simulation

    NASA Astrophysics Data System (ADS)

    Lewis, Anderson M.

    Building Information Modeling (BIM) is becoming an increasingly important tool in the Architectural, Engineering & Construction (AEC) industries. Some of the benefits associated with BIM include but are not limited to cost and time savings through greater trade and design coordination, and more accurate estimating take-offs. BIM is a virtual 3D, parametric design software that allows users to store information of a model within and can be used as a communication platform between project stakeholders. Likewise, energy simulation is an integral tool for predicting and optimizing a building's performance during design. Creating energy models and running energy simulations can be a time consuming activity due to the large number of parameters and assumptions that must be addressed to achieve reasonably accurate results. However, leveraging information imbedded within Building Information Models (BIMs) has the potential to increase accuracy and reduce the amount of time required to run energy simulations and can facilitate continuous energy simulations throughout the design process, thus optimizing building performance. Although some literature exists on how design stakeholders perceive the benefits associated with leveraging BIM for energy simulation, little is known about how perceptions associated with leveraging BIM for energy simulation differ between various green design stakeholder user groups. Through an e-survey instrument, this study seeks to determine how perceptions of using BIMs to inform energy simulation differ among distinct design stakeholder groups, which include BIM-only users, energy simulation-only users and BIM and energy simulation users. Additionally, this study seeks to determine what design stakeholders perceive as the main barriers and benefits of implementing BIM-based energy simulation. Results from this study suggest that little to no correlation exists between green design stakeholders' perceptions of the value associated with using

  14. National Infrastructure Simulation and Analysis Center Overview

    SciTech Connect

    Berscheid, Alan P.

    2012-07-30

    National Infrastructure Simulation and Analysis Center (NISAC) mission is to: (1) Improve the understanding, preparation, and mitigation of the consequences of infrastructure disruption; (2) Provide a common, comprehensive view of U.S. infrastructure and its response to disruptions - Scale & resolution appropriate to the issues and All threats; and (3) Built an operations-tested DHS capability to respond quickly to urgent infrastructure protection issues.

  15. Exchange interaction energy in magnetic recording simulation

    SciTech Connect

    Igarashi, Masukazu Tonooka, Shun; Katada, Hiroyuki; Maeda, Maki; Hara, Miki; Wood, Roger

    2015-05-07

    Based on a phenomenological theory, micromagnetic simulations and experiments are used to evaluate an improved function for the exchange interaction between magnetic particles in perpendicular recording media. Assuming diluted spin layers in the particle boundary and a gradual rather than abrupt rotation of magnetization between grain cores, the exchange energy is better described by an even power series of θ, rather than a cosine function. The conventional cosine function does not have a restoring torque near θ = π and adjacent grains tend to align strictly antiparallel. In contrast, using a power series of θ, adjacent grains tend to align at a small angle away from θ = π. This gives rise to a small in-plane magnetization component and therefore a distinct peak in in-plane susceptibility is observed around H = 0. From magnetization measurements of a real medium, a peak is observed around H = 0, which matches with an assumption of 2 or 3 spin layers. In some situations, the exchange interaction between discretized cells for numerical calculation is better described by a power series rather than a cosine function.

  16. Building Energy Monitoring and Analysis

    SciTech Connect

    Hong, Tianzhen; Feng, Wei; Lu, Alison; Xia, Jianjun; Yang, Le; Shen, Qi; Im, Piljae; Bhandari, Mahabir

    2013-06-01

    This project aimed to develop a standard methodology for building energy data definition, collection, presentation, and analysis; apply the developed methods to a standardized energy monitoring platform, including hardware and software, to collect and analyze building energy use data; and compile offline statistical data and online real-time data in both countries for fully understanding the current status of building energy use. This helps decode the driving forces behind the discrepancy of building energy use between the two countries; identify gaps and deficiencies of current building energy monitoring, data collection, and analysis; and create knowledge and tools to collect and analyze good building energy data to provide valuable and actionable information for key stakeholders.

  17. Simulating drought impacts on energy balance in an Amazonian rainforest

    NASA Astrophysics Data System (ADS)

    Imbuzeiro, H. A.; Costa, M. H.; Galbraith, D.; Christoffersen, B. O.; Powell, T.; Harper, A. B.; Levine, N. M.; Rowland, L.; Moorcroft, P. R.; Benezoli, V. H.; Meir, P.; da Costa, A. C. L.; Brando, P. M.; Malhi, Y.; Saleska, S. R.; Williams, M. D.

    2014-12-01

    The studies of the interaction between vegetation and climate change in the Amazon Basin indicate that up to half of the region's forests may be displaced by savanna vegetation by the end of the century. Additional analyses suggest that complex interactions among land use, fire-frequency, and episodic drought are driving an even more rapid process of the forest impoverishment and displacement referred here as "savannization". But it is not clear whether surface/ecosystem models are suitable to analyze extreme events like a drought. Long-term simulations of throughfall exclusion experiments has provided unique insights into the energy dynamics of Amazonian rainforests during drought conditions. In this study, we evaluate how well six surface/ecosystem models quantify the energy dynamics from two Amazonian throughfall exclusion experiments. All models were run for the Tapajós and Caxiuanã sites with one control plot using normal precipitation (i.e. do not impose a drought) and then the drought manipulation was imposed for several drought treatments (10 to 90% rainfall exclusion). The sap flow, net radiation (Rn), sensible (H), latent (LE) and ground (G) heat flux are used to analyze if the models are able to capture the dynamics of water stress and what the implications for the energy dynamics are. With respect to the model validation, when we compare the sap flow observed and transpiration simulated, models are more accurate to simulate control plots than drought treatments (50% rainfall exclusion). The results show that the models overestimate the sap flow data during the drought conditions, but they were able to capture the changes in the main energy balance components for different drought treatments. The Rn and LE decreased and H increased with more intensity of drought. The models sensitivity analysis indicate that models are more sensitive to drought when rainfall is excluded for more than 60% and when this reduction occurs during the dry season.

  18. NANA Strategic Energy Plan & Energy Options Analysis

    SciTech Connect

    Jay Hermanson; Brian Yanity

    2008-12-31

    Biomass Feasibility analysis in the upper Kobuk; • Run of the river hydroelectric development for the Upper Kobuk; • Solar photovoltaic (PV) power demonstration projects for Noatak, Ambler, Selawik, Kiana, and Noorvik; • Heat Recovery for several communities; In September 2008, the NRC team participated at the Alaska Rural Energy Conference in Girdwood, Alaska In November 2008, the NRC team gave a presentation on the NANA regional energy plans at a DOE Tribal Energy Program conference in Denver, Colorado. In January 2009, the final SEP report was submitted to NRC.

  19. Computer simulations of glasses: the potential energy landscape

    NASA Astrophysics Data System (ADS)

    Raza, Zamaan; Alling, Björn; Abrikosov, Igor A.

    2015-07-01

    We review the current state of research on glasses, discussing the theoretical background and computational models employed to describe them. This article focuses on the use of the potential energy landscape (PEL) paradigm to account for the phenomenology of glassy systems, and the way in which it can be applied in simulations and the interpretation of their results. This article provides a broad overview of the rich phenomenology of glasses, followed by a summary of the theoretical frameworks developed to describe this phenomonology. We discuss the background of the PEL in detail, the onerous task of how to generate computer models of glasses, various methods of analysing numerical simulations, and the literature on the most commonly used model systems. Finally, we tackle the problem of how to distinguish a good glass former from a good crystal former from an analysis of the PEL. In summarising the state of the potential energy landscape picture, we develop the foundations for new theoretical methods that allow the ab initio prediction of the glass-forming ability of new materials by analysis of the PEL.

  20. Computer simulations of glasses: the potential energy landscape.

    PubMed

    Raza, Zamaan; Alling, Björn; Abrikosov, Igor A

    2015-07-29

    We review the current state of research on glasses, discussing the theoretical background and computational models employed to describe them. This article focuses on the use of the potential energy landscape (PEL) paradigm to account for the phenomenology of glassy systems, and the way in which it can be applied in simulations and the interpretation of their results. This article provides a broad overview of the rich phenomenology of glasses, followed by a summary of the theoretical frameworks developed to describe this phenomonology. We discuss the background of the PEL in detail, the onerous task of how to generate computer models of glasses, various methods of analysing numerical simulations, and the literature on the most commonly used model systems. Finally, we tackle the problem of how to distinguish a good glass former from a good crystal former from an analysis of the PEL. In summarising the state of the potential energy landscape picture, we develop the foundations for new theoretical methods that allow the ab initio prediction of the glass-forming ability of new materials by analysis of the PEL. PMID:26139691

  1. Uncertainty Analysis of Simulated Hydraulic Fracturing

    NASA Astrophysics Data System (ADS)

    Chen, M.; Sun, Y.; Fu, P.; Carrigan, C. R.; Lu, Z.

    2012-12-01

    among input parameters and objective functions. In addition, reduced-order emulation models resulting from this analysis can be used for optimal control of hydraulic fracturing. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  2. Discrete Kinetic Models from Funneled Energy Landscape Simulations

    PubMed Central

    Burger, Anat; Craig, Patricio O.; Komives, Elizabeth A.; Wolynes, Peter G.

    2012-01-01

    A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK). In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an “inside-out”, nucleation-propagation like character. PMID:23251375

  3. Building Energy Monitoring and Analysis

    SciTech Connect

    Hong, Tianzhen; Feng, Wei; Lu, Alison; Xia, Jianjun; Yang, Le; Shen, Qi; Im, Piljae; Bhandari, Mahabir

    2013-06-01

    U.S. and China are the world’s top two economics. Together they consumed one-third of the world’s primary energy. It is an unprecedented opportunity and challenge for governments, researchers and industries in both countries to join together to address energy issues and global climate change. Such joint collaboration has huge potential in creating new jobs in energy technologies and services. Buildings in the US and China consumed about 40% and 25% of the primary energy in both countries in 2010 respectively. Worldwide, the building sector is the largest contributor to the greenhouse gas emission. Better understanding and improving the energy performance of buildings is a critical step towards sustainable development and mitigation of global climate change. This project aimed to develop a standard methodology for building energy data definition, collection, presentation, and analysis; apply the developed methods to a standardized energy monitoring platform, including hardware and software, to collect and analyze building energy use data; and compile offline statistical data and online real-time data in both countries for fully understanding the current status of building energy use. This helps decode the driving forces behind the discrepancy of building energy use between the two countries; identify gaps and deficiencies of current building energy monitoring, data collection, and analysis; and create knowledge and tools to collect and analyze good building energy data to provide valuable and actionable information for key stakeholders.

  4. Observationally-Motivated Analysis of Simulated Galaxies

    NASA Astrophysics Data System (ADS)

    Miranda, M. S.; Macfarlane, B. A.; Gibson, B. K.

    The spatial and temporal relationships between stellar age, kinematics, and chemistry are a fundamental tool for uncovering the physics driving galaxy formation and evolution. Observationally, these trends are derived using carefully selected samples isolated via the application of appropriate magnitude, colour, and gravity selection functions of individual stars; conversely, the analysis of chemodynamical simulations of galaxies has traditionally been restricted to the age, metallicity, and kinematics of 'composite' stellar particles comprised of open cluster-mass simple stellar populations. As we enter the Gaia era, it is crucial that this approach changes, with simulations confronting data in a manner which better mimics the methodology employed by observers. Here, we use the SynCMD synthetic stellar populations tool to analyse the metallicity distribution function of a Milky Way-like simulated galaxy, employing an apparent magnitude plus gravity selection function similar to that employed by the RAdial Velocity Experiment (RAVE); we compare such an observationally-motivated approach with that traditionally adopted - i.e., spatial cuts alone - in order to illustrate the point that how one analyses a simulation can be, in some cases, just as important as the underlying sub-grid physics employed.

  5. Multiscale DSA simulations for efficient hotspot analysis

    NASA Astrophysics Data System (ADS)

    Hori, Yoshihiro; Yoshimoto, Kenji; Taniguchi, Takashi; Ohshima, Masahiro

    2014-03-01

    In this study, we have investigated how to link "large-scale simulations with the simplified models" to "mesoscale simulations with the detailed models." For the simplified model, we have applied so-called the generalized Ohta-Kawasaki (gOK) model. Our simulation flow was implemented by two steps: 1) parallel computations of block copolymer annealing with the simplified model, 2) detailed analysis of the defects with the SCFT. The local volumetric densities of block copolymers calculated by the simplified models were used as an input for the SCFT. Then the SCFT simulations were performed under the constraints in which the density field was driven to be the one obtained from the simplified model. Using the resultant partition functions, we were able to obtain spatial distributions of the free chain ends and the connection points of the blocks. Note that the chain conformation of block copolymer is an important, but missing component of the simplified models; this multi-scale approach is expected to be useful for further understanding the origin and stability of DSA defects.

  6. Isentropic Analysis of a Simulated Hurricane

    NASA Technical Reports Server (NTRS)

    Mrowiec, Agnieszka A.; Pauluis, Olivier; Zhang, Fuqing

    2016-01-01

    Hurricanes, like many other atmospheric flows, are associated with turbulent motions over a wide range of scales. Here the authors adapt a new technique based on the isentropic analysis of convective motions to study the thermodynamic structure of the overturning circulation in hurricane simulations. This approach separates the vertical mass transport in terms of the equivalent potential temperature of air parcels. In doing so, one separates the rising air parcels at high entropy from the subsiding air at low entropy. This technique filters out oscillatory motions associated with gravity waves and separates convective overturning from the secondary circulation. This approach is applied here to study the flow of an idealized hurricane simulation with the Weather Research and Forecasting (WRF) Model. The isentropic circulation for a hurricane exhibits similar characteristics to that of moist convection, with a maximum mass transport near the surface associated with a shallow convection and entrainment. There are also important differences. For instance, ascent in the eyewall can be readily identified in the isentropic analysis as an upward mass flux of air with unusually high equivalent potential temperature. The isentropic circulation is further compared here to the Eulerian secondary circulation of the simulated hurricane to show that the mass transport in the isentropic circulation is much larger than the one in secondary circulation. This difference can be directly attributed to the mass transport by convection in the outer rainband and confirms that, even for a strongly organized flow like a hurricane, most of the atmospheric overturning is tied to the smaller scales.

  7. Numerical analysis of applied magnetic field dependence in Malmberg-Penning Trap for compact simulator of energy driver in heavy ion fusion

    NASA Astrophysics Data System (ADS)

    Sato, T.; Park, Y.; Soga, Y.; Takahashi, K.; Sasaki, T.; Kikuchi, T.; Harada, Nob

    2016-05-01

    To simulate a pulse compression process of space charge dominated beams in heavy ion fusion, we have demonstrated a multi-particle numerical simulation as an equivalent beam using the Malmberg-Penning trap device. The results show that both transverse and longitudinal velocities as a function of external magnetic field strength are increasing during the longitudinal compression. The influence of space-charge effect, which is related to the external magnetic field, was observed as the increase of high velocity particles at the weak external magnetic field.

  8. Strategic Energy Analysis (Fact Sheet)

    SciTech Connect

    Not Available

    2014-02-01

    NREL complements its scientific research with high-quality, credible, technology-neutral, objective analysis that informs policy and investment decisions as renewable energy and energy efficiency technologies move from innovation through integration. This sheet highlights NREL's analytical capabilities and achievements.

  9. Simulation for analysis and control of superplastic forming. Final report

    SciTech Connect

    Zacharia, T.; Aramayo, G.A.; Simunovic, S.; Ludtka, G.M.; Khaleel, M.; Johnson, K.I.; Smith, M.T.; Van Arsdale, G.L.; Lavender, C.A.

    1996-08-01

    A joint study was conducted by Oak Ridge National Laboratory (ORNL) and the Pacific Northwest Laboratory (PNL) for the U.S. Department of Energy-Lightweight Materials (DOE-LWM) Program. the purpose of the study was to assess and benchmark the current modeling capabilities with respect to accuracy of predictions and simulation time. Two modeling capabilities with respect to accuracy of predictions and simulation time. Two simulation platforms were considered in this study, which included the LS-DYNA3D code installed on ORNL`s high- performance computers and the finite element code MARC used at PNL. both ORNL and PNL performed superplastic forming (SPF) analysis on a standard butter-tray geometry, which was defined by PNL, to better understand the capabilities of the respective models. The specific geometry was selected and formed at PNL, and the experimental results, such as forming time and thickness at specific locations, were provided for comparisons with numerical predictions. Furthermore, comparisons between the ORNL simulation results, using elasto-plastic analysis, and PNL`s results, using rigid-plastic flow analysis, were performed.

  10. Simulated Patient Studies: An Ethical Analysis

    PubMed Central

    Rhodes, Karin V; Miller, Franklin G

    2012-01-01

    Context In connection with health care reform, the U.S. Department of Health and Human Services commissioned a “mystery shopper,” or simulated patient study, to measure access to primary care. But the study was shelved because of public controversy over “government spying” on doctors. Opponents of the study also raised ethical concerns about the use of deception with human subjects without soliciting their informed consent. Methods We undertook an ethical analysis of the use of simulated patient techniques in health services research, with a particular focus on research measuring access to care. Using a case study, we explored relevant methodological considerations and ethical principles relating to deceptive research without informed consent, as well as U.S. federal regulations permitting exceptions to consent. Findings Several relevant considerations both favor and oppose soliciting consent for simulated patient studies. Making research participation conditional on informed consent protects the autonomy of research subjects and shields them from unreasonable exposure to research risks. However, scientific validity is also an important ethical principle of human subjects research, as the net risks to subjects must be justified by the value to society of the knowledge to be gained. The use of simulated patients to monitor access is a naturalistic and scientifically sound experimental design that can answer important policy-relevant questions, with minimal risks to human subjects. As interaction between researchers and subjects increases, however, so does the need for consent. Conclusions As long as adequate protections of confidentiality of research data are in place, minimally intrusive simulated patient research that gathers policy-relevant data on the health system without the consent of individuals working in that system can be ethically justified when the risks and burdens to research subjects are minimal and the research has the potential to generate

  11. Sample Analysis at Mars Instrument Simulator

    NASA Technical Reports Server (NTRS)

    Benna, Mehdi; Nolan, Tom

    2013-01-01

    The Sample Analysis at Mars Instrument Simulator (SAMSIM) is a numerical model dedicated to plan and validate operations of the Sample Analysis at Mars (SAM) instrument on the surface of Mars. The SAM instrument suite, currently operating on the Mars Science Laboratory (MSL), is an analytical laboratory designed to investigate the chemical and isotopic composition of the atmosphere and volatiles extracted from solid samples. SAMSIM was developed using Matlab and Simulink libraries of MathWorks Inc. to provide MSL mission planners with accurate predictions of the instrument electrical, thermal, mechanical, and fluid responses to scripted commands. This tool is a first example of a multi-purpose, full-scale numerical modeling of a flight instrument with the purpose of supplementing or even eliminating entirely the need for a hardware engineer model during instrument development and operation. SAMSIM simulates the complex interactions that occur between the instrument Command and Data Handling unit (C&DH) and all subsystems during the execution of experiment sequences. A typical SAM experiment takes many hours to complete and involves hundreds of components. During the simulation, the electrical, mechanical, thermal, and gas dynamics states of each hardware component are accurately modeled and propagated within the simulation environment at faster than real time. This allows the simulation, in just a few minutes, of experiment sequences that takes many hours to execute on the real instrument. The SAMSIM model is divided into five distinct but interacting modules: software, mechanical, thermal, gas flow, and electrical modules. The software module simulates the instrument C&DH by executing a customized version of the instrument flight software in a Matlab environment. The inputs and outputs to this synthetic C&DH are mapped to virtual sensors and command lines that mimic in their structure and connectivity the layout of the instrument harnesses. This module executes

  12. Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA)

    National Institute of Standards and Technology Data Gateway

    SRD 100 Database for Simulation of Electron Spectra for Surface Analysis (SESSA)Database for Simulation of Electron Spectra for Surface Analysis (SESSA) (PC database for purchase)   This database has been designed to facilitate quantitative interpretation of Auger-electron and X-ray photoelectron spectra and to improve the accuracy of quantitation in routine analysis. The database contains all physical data needed to perform quantitative interpretation of an electron spectrum for a thin-film specimen of given composition. A simulation module provides an estimate of peak intensities as well as the energy and angular distributions of the emitted electron flux.

  13. Acquisition of building geometry in the simulation of energy performance

    SciTech Connect

    Bazjanac, Vladimir

    2001-06-28

    Building geometry is essential to any simulation of building performance. This paper examines the importing of building geometry into simulation of energy performance from the users' point of view. It lists performance requirements for graphic user interfaces that input building geometry, and discusses the basic options in moving from two- to three-dimensional definition of geometry and the ways to import that geometry into energy simulation. The obvious answer lies in software interoperability. With the BLIS group of interoperable software one can interactively import building geometry from CAD into EnergyPlus and dramatically reduce the effort otherwise needed for manual input.The resulting savings may greatly increase the value obtained from simulation, the number of projects in which energy performance simulation is used, and expedite decision making in the design process.

  14. Simulation model for Vuilleumier cycle machines and analysis of characteristics

    NASA Astrophysics Data System (ADS)

    Sekiya, Hiroshi; Terada, Fusao

    1992-11-01

    Numerical analysis using the computer is useful in predicting and evaluating the performance of the Vuilleumier (VM) cycle machine in research and development. The 3rd-order method must be employed particularly in the case of detailed analysis of performance and design optimization. This paper describes our simulation model for the VM machine, which is based on that method. The working space is divided into thirty-eight control volumes for the VM heat pump test machine, and the fundamental equations are derived rigorously by applying the conservative equations of mass, momentum, and energy to each control volume, using staggered mesh. These equations are solved simultaneously by the Adams-Moulton method. Then, the test machine is investigated in terms of the pressure and temperature fluctuations of the working gas, the energy flow, and the performance at each speed of revolution. The calculated results are examined in comparison with the experimental ones.

  15. Energy simulation and optimization for a small commercial building through Modelica

    NASA Astrophysics Data System (ADS)

    Rivas, Bryan

    Small commercial buildings make up the majority of buildings in the United States. Energy consumed by these buildings is expected to drastically increase in the next few decades, with a large percentage of the energy consumed attributed to cooling systems. This work presents the simulation and optimization of a thermostat schedule to minimize energy consumption in a small commercial building test bed during the cooling season. The simulation occurs through the use of the multi-engineering domain Dymola environment based on the Modelica open source programming language and is optimized with the Java based optimization program GenOpt. The simulation uses both physically based modeling utilizing heat transfer principles for the building and regression analysis for energy consumption. GenOpt is dynamically coupled to Dymola through various interface files. There are very few studies that have coupled GenOpt to a building simulation program and even fewer studies have used Dymola for building simulation as extensively as the work presented here. The work presented proves Dymola as a viable alternative to other building simulation programs such as EnergyPlus and MatLab. The model developed is used to simulate the energy consumption of a test bed, a commissioned real world small commercial building, while maintaining indoor thermal comfort. Potential applications include smart or intelligent building systems, predictive simulation of small commercial buildings, and building diagnostics.

  16. Institutional analysis for energy policy

    SciTech Connect

    Morris, F.A.; Cole, R.J.

    1980-07-01

    This report summarizes principles, techniques, and other information for doing institutional analyses in the area of energy policy. The report was prepared to support DOE's Regional Issues Identification and Assessment (RIIA) program. RIIA identifies environmental, health, safety, socioeconomic, and institutional issues that could accompany hypothetical future scenarios for energy consumption and production on a regional basis. Chapter 1 provides some theoretical grounding in institutional analysis. Chapter 2 provides information on constructing institutional maps of the processes for bringing on line energy technologies and facilities contemplated in RIIA scenarios. Chapter 3 assesses the institutional constraints, opportunities, and impacts that affect whether these technologies and facilities would in fact be developed. Chapters 4 and 5 show how institutional analysis can support use of exercises such as RIIA in planning institutional change and making energy policy choices.

  17. Design, modeling, simulation and evaluation of a distributed energy system

    NASA Astrophysics Data System (ADS)

    Cultura, Ambrosio B., II

    This dissertation presents the design, modeling, simulation and evaluation of distributed energy resources (DER) consisting of photovoltaics (PV), wind turbines, batteries, a PEM fuel cell and supercapacitors. The distributed energy resources installed at UMass Lowell consist of the following: 2.5kW PV, 44kWhr lead acid batteries and 1500W, 500W & 300W wind turbines, which were installed before year 2000. Recently added to that are the following: 10.56 kW PV array, 2.4 kW wind turbine, 29 kWhr Lead acid batteries, a 1.2 kW PEM fuel cell and 4-140F supercapacitors. Each newly added energy resource has been designed, modeled, simulated and evaluated before its integration into the existing PV/Wind grid-connected system. The Mathematical and Simulink model of each system was derived and validated by comparing the simulated and experimental results. The Simulated results of energy generated from a 10.56kW PV system are in good agreement with the experimental results. A detailed electrical model of a 2.4kW wind turbine system equipped with a permanent magnet generator, diode rectifier, boost converter and inverter is presented. The analysis of the results demonstrates the effectiveness of the constructed simulink model, and can be used to predict the performance of the wind turbine. It was observed that a PEM fuel cell has a very fast response to load changes. Moreover, the model has validated the actual operation of the PEM fuel cell, showing that the simulated results in Matlab Simulink are consistent with the experimental results. The equivalent mathematical equation, derived from an electrical model of the supercapacitor, is used to simulate its voltage response. The model is completely capable of simulating its voltage behavior, and can predict the charge time and discharge time of voltages on the supercapacitor. The bi-directional dc-dc converter was designed in order to connect the 48V battery bank storage to the 24V battery bank storage. This connection was

  18. Guidelines for the analysis of free energy calculations.

    PubMed

    Klimovich, Pavel V; Shirts, Michael R; Mobley, David L

    2015-05-01

    Free energy calculations based on molecular dynamics simulations show considerable promise for applications ranging from drug discovery to prediction of physical properties and structure-function studies. But these calculations are still difficult and tedious to analyze, and best practices for analysis are not well defined or propagated. Essentially, each group analyzing these calculations needs to decide how to conduct the analysis and, usually, develop its own analysis tools. Here, we review and recommend best practices for analysis yielding reliable free energies from molecular simulations. Additionally, we provide a Python tool, alchemical-analysis.py, freely available on GitHub as part of the pymbar package (located at http://github.com/choderalab/pymbar), that implements the analysis practices reviewed here for several reference simulation packages, which can be adapted to handle data from other packages. Both this review and the tool covers analysis of alchemical calculations generally, including free energy estimates via both thermodynamic integration and free energy perturbation-based estimators. Our Python tool also handles output from multiple types of free energy calculations, including expanded ensemble and Hamiltonian replica exchange, as well as standard fixed ensemble calculations. We also survey a range of statistical and graphical ways of assessing the quality of the data and free energy estimates, and provide prototypes of these in our tool. We hope this tool and discussion will serve as a foundation for more standardization of and agreement on best practices for analysis of free energy calculations. PMID:25808134

  19. Guidelines for the analysis of free energy calculations

    PubMed Central

    Klimovich, Pavel V.; Shirts, Michael R.; Mobley, David L.

    2015-01-01

    Free energy calculations based on molecular dynamics (MD) simulations show considerable promise for applications ranging from drug discovery to prediction of physical properties and structure-function studies. But these calculations are still difficult and tedious to analyze, and best practices for analysis are not well defined or propagated. Essentially, each group analyzing these calculations needs to decide how to conduct the analysis and, usually, develop its own analysis tools. Here, we review and recommend best practices for analysis yielding reliable free energies from molecular simulations. Additionally, we provide a Python tool, alchemical–analysis.py, freely available on GitHub at https://github.com/choderalab/pymbar–examples, that implements the analysis practices reviewed here for several reference simulation packages, which can be adapted to handle data from other packages. Both this review and the tool covers analysis of alchemical calculations generally, including free energy estimates via both thermodynamic integration and free energy perturbation-based estimators. Our Python tool also handles output from multiple types of free energy calculations, including expanded ensemble and Hamiltonian replica exchange, as well as standard fixed ensemble calculations. We also survey a range of statistical and graphical ways of assessing the quality of the data and free energy estimates, and provide prototypes of these in our tool. We hope these tools and discussion will serve as a foundation for more standardization of and agreement on best practices for analysis of free energy calculations. PMID:25808134

  20. Simulaid: a simulation facilitator and analysis program.

    PubMed

    Mezei, Mihaly

    2010-11-15

    Simulaid performs a large number of simulation-related tasks: interconversion and modification of structure and trajectory files, optimization of orientation, and a large variety of analysis functions. The program can handle structures in PDB (Berman et al., Nucleic Acids Res 2000, 28, 235), Charmm (Brooks et al., J Comput Chem 4, 187) CRD, Amber (Case et al.), Macromodel (Mohamadi et al., J Comput Chem 1990, 11, 440), Gromos/Gromacs (Hess et al.), InsightII (InsightII. Accelrys Inc.: San Diego, 2005), Grasp (Nicholls et al., Proteins: Struct Funct Genet 1991, 11, 281) .crg, Tripos (Tripos International, S. H. R., St. Louis, MO) .mol2 (input only), and in the MMC (Mezei, M.; MMC: Monte Carlo program for molecular assemblies. Available at: http://inka.mssm.edu/~mezei/mmc) formats; and trajectories in the formats of Charmm, Amber, Macromodel, and MMC. Analysis features include (but are not limited to): (1) simple distance calculations and hydrogen-bond analysis, (2) calculation of 2-D RMSD maps (produced both as text file with the data and as a color-coded matrix) and cross RMSD maps between trajectories, (3) clustering based on RMSD maps, (4) analysis of torsion angles, Ramachandran (Ramachandran and Sasiskharan, Adv Protein Chem 1968, 23, 283) angles, proline kink (Visiers et al., Protein Eng 2000, 13, 603) angles, pseudorotational (Altona and Sundaralingam, J Am Chem Soc 1972, 94, 8205; Cremer and Pople, J Am Chem Soc 1975, 97, 1354) angles, and (5) analysis based on circular variance (Mezei, J Mol Graphics Model 2003, 21, 463). Torsion angle evolutions are presented in dial plots (Ravishanker et al., J Biomol Struct Dyn 1989, 6, 669). Several of these features are unique to Simulaid. PMID:20740566

  1. Thermal analysis of simulated Pantex pit storage

    SciTech Connect

    Aceves, S.M., Kornblum, B.T.

    1996-10-01

    This report investigates potential pit storage configurations that could be used at the Mason and Hanger Pantex Plant. The study utilizes data from a thermal test series performed at Lawrence Livermore National Laboratory (LLNL) that simulated these storage configurations. The heat output values used in the LLNL test series do not represent actual pits but are rounded numbers that were chosen for convenience to allow parameter excursions. Specifically in this project, we are modeling the heat transfer and air flow around cylindrical storage containers in Pantex magazines in order to predict container temperatures. This difficult problem in thermal- fluid mechanics involves transient, three-dimensional (3-D) natural convection and thermal radiation around interacting containers with various heat generation rates. Our approach is to link together two computational methods in order to synthesize a modeling procedure for a large array of pit storage containers. The approach employs a finite element analysis of a few containers, followed by a lumped- parameter model of an array of containers. The modeling procedure we developed was applied in the simulation of a recent experiment where temperatures of pit storage containers were monitored in a steady- state, controlled environment. Our calculated pit container temperatures are comparable with data from that experiment. We found it absolutely necessary to include thermal radiation between containers in order to predict temperatures accurately, although the assumption of black-body radiation appears to be sufficient. When radiation is neglected the calculated temperatures are 4 to 6 {degrees}C higher than temperature data from the experiment. We also investigated our model`s sensitivity to variations in the natural convection heat transfer coefficient and found that with a 50% drop in the coefficient, calculated temperatures are approximately I {degree}C higher. Finally, with a modified lumped-parameter model, we

  2. Simulation and Non-Simulation Based Human Reliability Analysis Approaches

    SciTech Connect

    Boring, Ronald Laurids; Shirley, Rachel Elizabeth; Joe, Jeffrey Clark; Mandelli, Diego

    2014-12-01

    Part of the U.S. Department of Energy’s Light Water Reactor Sustainability (LWRS) Program, the Risk-Informed Safety Margin Characterization (RISMC) Pathway develops approaches to estimating and managing safety margins. RISMC simulations pair deterministic plant physics models with probabilistic risk models. As human interactions are an essential element of plant risk, it is necessary to integrate human actions into the RISMC risk model. In this report, we review simulation-based and non-simulation-based human reliability assessment (HRA) methods. Chapter 2 surveys non-simulation-based HRA methods. Conventional HRA methods target static Probabilistic Risk Assessments for Level 1 events. These methods would require significant modification for use in dynamic simulation of Level 2 and Level 3 events. Chapter 3 is a review of human performance models. A variety of methods and models simulate dynamic human performance; however, most of these human performance models were developed outside the risk domain and have not been used for HRA. The exception is the ADS-IDAC model, which can be thought of as a virtual operator program. This model is resource-intensive but provides a detailed model of every operator action in a given scenario, along with models of numerous factors that can influence operator performance. Finally, Chapter 4 reviews the treatment of timing of operator actions in HRA methods. This chapter is an example of one of the critical gaps between existing HRA methods and the needs of dynamic HRA. This report summarizes the foundational information needed to develop a feasible approach to modeling human interactions in the RISMC simulations.

  3. Kinetic energy of rainfall simulation nozzles

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Different spray nozzles are used frequently to simulate natural rain for soil erosion and chemical transport, particularly phosphorous (P), studies. Oscillating VeeJet nozzles are used mostly in soil erosion research while constant spray FullJet nozzles are commonly used for P transport. Several ch...

  4. An energy balance simulation tool for TOMS-EP

    SciTech Connect

    Mackowski, M.J.; Martin, D.K.

    1996-12-31

    A computer analysis tool has been developed to perform energy balance simulations of a spacecraft power subsystem. The purpose of the tool is to predict the battery state-of-charge as a function of time for different mission scenarios, particularly during the first few orbits. The load profile (power use versus time) and the solar array power available for charging the battery were both time-varying functions that were different for each scenario. Therefore an analysis tool was needed that could easily make changes to the load profile and select different levels of solar array power. This was accomplished by developing a simple spreadsheet that defined the load profiles, which would then be imported into another spreadsheet that performed the energy balance calculations, including the adjustments to the solar array output. The development of these relatively simple spreadsheets replaced a laborious manual process of defining the load profiles which were then sued in a less sophisticated spreadsheet.The improved version also added a capability to include loads prior to satellite separation from the launch vehicle. A more elaborate simulation program had also been used in the past, but it was inconvenient to use and was not as precise as the new spreadsheet. In summary, the new tool made it easy to quickly develop and evaluate many different operational scenarios. This process has been used to evaluate responses to various failure modes and to develop contingency plans for the first few orbits of the Total Ozone Mapping Spectrometer--Earth Probe (TOMS-EP) mission.

  5. Teaching a Model-based Climatology Using Energy Balance Simulation.

    ERIC Educational Resources Information Center

    Unwin, David

    1981-01-01

    After outlining the difficulties of teaching climatology within an undergraduate geography curriculum, the author describes and evaluates the use of a computer assisted simulation to model surface energy balance and the effects of land use changes on local climate. (AM)

  6. Molecular dynamics simulation of threshold displacement energies in zircon

    SciTech Connect

    Moreira, Pedro A.; Devanathan, Ramaswami; Yu, Jianguo; Weber, William J.

    2009-10-15

    Molecular-dynamics simulations were used to examine the displacement threshold energy (Ed) surface for Zr, Si and O in zircon using two different interatomic potentials. For each sublattice, the simulation was repeated from different initial conditions to estimate the uncertainty in the calculated value of Ed. The displacement threshold energies vary considerably with crystallographic direction and sublattice. The average displacement energy calculated with a recently developed transferable potential is about 120 and 60 eV for cations and anions, respectively. The oxygen displacement energy shows good agreement with experimental estimates in ceramics.

  7. Visual cavity analysis in molecular simulations

    PubMed Central

    2013-01-01

    Molecular surfaces provide a useful mean for analyzing interactions between biomolecules; such as identification and characterization of ligand binding sites to a host macromolecule. We present a novel technique, which extracts potential binding sites, represented by cavities, and characterize them by 3D graphs and by amino acids. The binding sites are extracted using an implicit function sampling and graph algorithms. We propose an advanced cavity exploration technique based on the graph parameters and associated amino acids. Additionally, we interactively visualize the graphs in the context of the molecular surface. We apply our method to the analysis of MD simulations of Proteinase 3, where we verify the previously described cavities and suggest a new potential cavity to be studied. PMID:24564409

  8. Simulation and Analysis of Launch Teams (SALT)

    NASA Technical Reports Server (NTRS)

    2008-01-01

    A SALT effort was initiated in late 2005 with seed funding from the Office of Safety and Mission Assurance Human Factors organization. Its objectives included demonstrating human behavior and performance modeling and simulation technologies for launch team analysis, training, and evaluation. The goal of the research is to improve future NASA operations and training. The project employed an iterative approach, with the first iteration focusing on the last 70 minutes of a nominal-case Space Shuttle countdown, the second iteration focusing on aborts and launch commit criteria violations, the third iteration focusing on Ares I-X communications, and the fourth iteration focusing on Ares I-X Firing Room configurations. SALT applied new commercial off-the-shelf technologies from industry and the Department of Defense in the spaceport domain.

  9. An Energy Crisis Management Simulation for the State of California

    NASA Astrophysics Data System (ADS)

    Thomas, M. A.

    1982-08-01

    The Rand Corporation hosted an energy crisis management workshop on January 27-29, 1982. The workshop was sponsored by the California Energy Commission and was designed to give participants experience in managing an energy emergency. The vehicle for providing this experience was a gaming exercise that simulated an international energy emergency. The structure of the game used in the workshop and the game results are documented.

  10. Simulation Toolkit for Renewable Energy Advanced Materials Modeling

    Energy Science and Technology Software Center (ESTSC)

    2013-11-13

    STREAMM is a collection of python classes and scripts that enables and eases the setup of input files and configuration files for simulations of advanced energy materials. The core STREAMM python classes provide a general framework for storing, manipulating and analyzing atomic/molecular coordinates to be used in quantum chemistry and classical molecular dynamics simulations of soft materials systems. The design focuses on enabling the interoperability of materials simulation codes such as GROMACS, LAMMPS and Gaussian.

  11. Evaluation on Influence of Unstable Primary-Energy Price in a Deregulated Electric Power Market—Analysis based on a simulation model approach—

    NASA Astrophysics Data System (ADS)

    Maitani, Tatsuyuki; Tezuka, Tetsuo

    The electric power market of Japan has been locally monopolized for a long time. But, like many countries, Japan is moving forward with the deregulation of its electric power industry so that any power generation company could sell electric power in the market. The power price, however, will fluctuate inevitably to balance the power supply and demand. A new appropriate market design is indispensable when introducing new market mechanisms in the electric power market to avoid undesirable results of the market. The first stage of deregulation will be the competition between an existing large-scaled power utility and a new power generation company. In this paper we have investigated the wholesale market with competition of these two power companies based on a simulation model approach. Under the competitive situation the effects of exogenous disturbance may bring serious results and we estimated the influence on the market when the price of fossil fuel rises. The conclusion of this study is that several types of Nash equilibriums have been found in the market: the larger the new power generation company becomes, the higher the electricity price under the Nash equilibriums rises. Because of the difference in their structure of generation capacity, the existing large-scaled power utility gets more profit while the new power generation company loses its profit when the price of fossil fuel rises.

  12. DOE-2 Building Energy Analysis Program

    SciTech Connect

    Curtis, R.B.; Birdsall, B.; Buhl, W.F.; Erdem, E.; Eto, J.; Hirsch, J.J.; Olson, K.H.; Winkelmann, F.C.

    1984-04-01

    The DOE-2 Building Energy Analysis Program was designed to allow engineers and architects to perform design studies of whole-building energy use under actual weather conditions. Its development was guided by several objectives: (1) that the description of the building entered by the user be readily understood by non-computer scientists, (2) that, when available, the calculations be based upon well established algorithms, (3) that it permit the simulation of commonly available heating, ventilating, and air-conditioning (HVAC) equipment, (4) that the computer costs of the program be minimal, and (5) that the predicted energy use of a building be acceptably close to measured values. These objectives have been met. An overview of the program upon completion of the DOE-2.1C edition is given.

  13. NREL Improves Building Energy Simulation Programs Through Diagnostic Testing (Fact Sheet)

    SciTech Connect

    Not Available

    2012-01-01

    This technical highlight describes NREL research to develop Building Energy Simulation Test for Existing Homes (BESTEST-EX) to increase the quality and accuracy of energy analysis tools for the building retrofit market. Researchers at the National Renewable Energy Laboratory (NREL) have developed a new test procedure to increase the quality and accuracy of energy analysis tools for the building retrofit market. The Building Energy Simulation Test for Existing Homes (BESTEST-EX) is a test procedure that enables software developers to evaluate the performance of their audit tools in modeling energy use and savings in existing homes when utility bills are available for model calibration. Similar to NREL's previous energy analysis tests, such as HERS BESTEST and other BESTEST suites included in ANSI/ASHRAE Standard 140, BESTEST-EX compares software simulation findings to reference results generated with state-of-the-art simulation tools such as EnergyPlus, SUNREL, and DOE-2.1E. The BESTEST-EX methodology: (1) Tests software predictions of retrofit energy savings in existing homes; (2) Ensures building physics calculations and utility bill calibration procedures perform to a minimum standard; and (3) Quantifies impacts of uncertainties in input audit data and occupant behavior. BESTEST-EX includes building physics and utility bill calibration test cases. The diagram illustrates the utility bill calibration test cases. Participants are given input ranges and synthetic utility bills. Software tools use the utility bills to calibrate key model inputs and predict energy savings for the retrofit cases. Participant energy savings predictions using calibrated models are compared to NREL predictions using state-of-the-art building energy simulation programs.

  14. Simulating the Value of Concentrating Solar Power with Thermal Energy Storage in a Production Cost Model

    SciTech Connect

    Denholm, P.; Hummon, M.

    2012-11-01

    Concentrating solar power (CSP) deployed with thermal energy storage (TES) provides a dispatchable source of renewable energy. The value of CSP with TES, as with other potential generation resources, needs to be established using traditional utility planning tools. Production cost models, which simulate the operation of grid, are often used to estimate the operational value of different generation mixes. CSP with TES has historically had limited analysis in commercial production simulations. This document describes the implementation of CSP with TES in a commercial production cost model. It also describes the simulation of grid operations with CSP in a test system consisting of two balancing areas located primarily in Colorado.

  15. North energy system risk analysis features

    NASA Astrophysics Data System (ADS)

    Prokhorov, V. A.; Prokhorov, D. V.

    2015-12-01

    Risk indicator analysis for a decentralized energy system of the North was carried out. Based on analysis of damages caused by accidents at energy systems, their structure is selected, and a North energy system risk determination method was proposed.

  16. Fast Monte Carlo for ion beam analysis simulations

    NASA Astrophysics Data System (ADS)

    Schiettekatte, François

    2008-04-01

    A Monte Carlo program for the simulation of ion beam analysis data is presented. It combines mainly four features: (i) ion slowdown is computed separately from the main scattering/recoil event, which is directed towards the detector. (ii) A virtual detector, that is, a detector larger than the actual one can be used, followed by trajectory correction. (iii) For each collision during ion slowdown, scattering angle components are extracted form tables. (iv) Tables of scattering angle components, stopping power and energy straggling are indexed using the binary representation of floating point numbers, which allows logarithmic distribution of these tables without the computation of logarithms to access them. Tables are sufficiently fine-grained that interpolation is not necessary. Ion slowdown computation thus avoids trigonometric, inverse and transcendental function calls and, as much as possible, divisions. All these improvements make possible the computation of 107 collisions/s on current PCs. Results for transmitted ions of several masses in various substrates are well comparable to those obtained using SRIM-2006 in terms of both angular and energy distributions, as long as a sufficiently large number of collisions is considered for each ion. Examples of simulated spectrum show good agreement with experimental data, although a large detector rather than the virtual detector has to be used to properly simulate background signals that are due to plural collisions. The program, written in standard C, is open-source and distributed under the terms of the GNU General Public License.

  17. Electromyographic analysis on a windsurfing simulator

    PubMed Central

    Campillo, Philippe; Leszczynski, Barbara; Marthe, Cédric; Hespel, Jean Michel

    2007-01-01

    Recent technical innovations in windsurfing have been concentrated on the evolution of the sails and the board. It is only recently that manufacturers have become interested in the wishbones which have evolved becoming thinner and lighter than in the past. A group of six experienced windsurfers participated in an experiment on a land based windsurfing simulator. The goal of the study was to analyze the muscular force used for different techniques for holding onto the wishbone. The test consisted in recording the global electromyographic activity of several muscles on the forearm using surface electrodes. There were two different wind force conditions possible with the simulator: medium (15 kg) and strong (25 kg). Three different wishbone diameters were tested (28, 30 and 32 mm). Four different hand positions on the wishbone were analyzed: leading hand and/or following hand in pronation and/or supination. The electrical muscular activity obtained varied significantly (p < 0.05) depending on the type of grip and according to the diameter of the wishbone. The position with the two hands in supination on a wishbone of 28 mm in diameter was the most economical in muscular terms, notably the flexions of the forearm. The confirmation of the results should lead windsurfers to reconsider the positioning of the wishbone and the adapted posture to waste the least amount of energy possible. Key pointsFemale athletes landed with increased knee valgus and VGRF which may predispose them to ACL injury.Fatigue elicited a similar response in male and female athletes.The effectiveness of sports injury prevention programs may improve by focusing on teaching females to land softer and with less knee valgus. PMID:24149235

  18. Electromyographic analysis on a windsurfing simulator.

    PubMed

    Campillo, Philippe; Leszczynski, Barbara; Marthe, Cédric; Hespel, Jean Michel

    2007-01-01

    Recent technical innovations in windsurfing have been concentrated on the evolution of the sails and the board. It is only recently that manufacturers have become interested in the wishbones which have evolved becoming thinner and lighter than in the past. A group of six experienced windsurfers participated in an experiment on a land based windsurfing simulator. The goal of the study was to analyze the muscular force used for different techniques for holding onto the wishbone. The test consisted in recording the global electromyographic activity of several muscles on the forearm using surface electrodes. There were two different wind force conditions possible with the simulator: medium (15 kg) and strong (25 kg). Three different wishbone diameters were tested (28, 30 and 32 mm). Four different hand positions on the wishbone were analyzed: leading hand and/or following hand in pronation and/or supination. The electrical muscular activity obtained varied significantly (p < 0.05) depending on the type of grip and according to the diameter of the wishbone. The position with the two hands in supination on a wishbone of 28 mm in diameter was the most economical in muscular terms, notably the flexions of the forearm. The confirmation of the results should lead windsurfers to reconsider the positioning of the wishbone and the adapted posture to waste the least amount of energy possible. Key pointsFemale athletes landed with increased knee valgus and VGRF which may predispose them to ACL injury.Fatigue elicited a similar response in male and female athletes.The effectiveness of sports injury prevention programs may improve by focusing on teaching females to land softer and with less knee valgus. PMID:24149235

  19. The Lorenz energy cycle in simulated rotating annulus flows

    NASA Astrophysics Data System (ADS)

    Young, R. M. B.

    2014-05-01

    Lorenz energy cycles are presented for a series of simulated differentially heated rotating annulus flows, in the axisymmetric, steady, amplitude vacillating, and structurally vacillating flow regimes. The simulation allows contributions to the energy diagnostics to be identified in parts of the fluid that cannot be measured in experiments. These energy diagnostics are compared with laboratory experiments studying amplitude vacillation, and agree well with experimental time series of kinetic and potential energy, as well as conversions between them. Two of the three major energy transfer paradigms of the Lorenz energy cycle are identified—a Hadley-cell overturning circulation, and baroclinic instability. The third, barotropic instability, was never dominant, but increased in strength as rotation rate increased. For structurally vacillating flow, which matches the Earth's thermal Rossby number well, the ratio between energy conversions associated with baroclinic and barotropic instabilities was similar to the measured ratio in the Earth's mid-latitudes.

  20. Advanced Modeling, Simulation and Analysis (AMSA) Capability Roadmap Progress Review

    NASA Technical Reports Server (NTRS)

    Antonsson, Erik; Gombosi, Tamas

    2005-01-01

    Contents include the following: NASA capability roadmap activity. Advanced modeling, simulation, and analysis overview. Scientific modeling and simulation. Operations modeling. Multi-special sensing (UV-gamma). System integration. M and S Environments and Infrastructure.

  1. Analysis of five simulated straw harvest scenarios

    SciTech Connect

    Sokhansanj, Shahabaddine; Turhollow Jr, Anthony F; Stephen, Jamie; Stumborg, Mark; Fenton, James; Mani, Sudhagar

    2008-01-01

    Almost 36 million tonnes (t) of cereal grains are harvested annually on more than 16 million hectares (ha) in Canada. The net straw production varies year by year depending upon weather patterns, crop fertility, soil conservation measures, harvest method, and plant variety. The net yield of straw, after discounting for soil conservation, averages approximately 2.5 dry (d)t ha-1. Efficient equipment is needed to collect and package the material as a feedstock for industrial applications. This paper investigates the costs, energy input, and emissions from power equipment used for harvesting straw. Five scenarios were investigated: (1) large square bales, (2) round bales, (3) large compacted stacks (loafs), (4) dried chops, and (5) wet chops. The baled or loafed biomass is stacked next to the farm. Dry chop is collected in a large pile and wet chop is ensiled. The baling and stacking cost was $21.47 dt-1 (dry tonne), with little difference between round and large square baling. Loafing was the cheapest option at $17.08 dt-1. Dry chop and piling was $23.90 dt-1 and wet chop followed by ensiling was $59.75 dt-1. A significant portion of the wet chop cost was in ensiling. Energy input and emissions were proportional to the costs for each system, except for loafing, which required more energy input than the baling systems. As a fraction of the energy content of biomass (roughly 16 GJ dt-1), the energy input ranged from 1.2% for baling to 3.2% for ensiling. Emissions from the power equipment ranged from 20.3 kg CO2e dt-1 to more than 40 kg CO2e dt-1. A sensitivity analysis on the effect of yield on collection costs showed that a 33% increase in yield reduced the cost by 20%. Similarly a sensitivity analysis on weather conditions showed that a 10oC cooler climate extended the harvest period by 5-10 days whereas a 10oC warmer climate shortened the harvest period by 2-3 days.

  2. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

    DOE PAGESBeta

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping; Lu, Hai -Jiang; Zhu, Peng -Jia; Jiang, Feng -Jian

    2015-07-17

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab. Radiation and ionization energy loss are discussed formore » $$^{12}C$$ elastic scattering simulation. The relative momentum ratio $$\\frac{\\Delta p}{p}$$ and $$^{12}C$$ elastic cross section are compared without and with radiation energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for $$^{12}C$$ elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment.« less

  3. Radiation and ionization energy loss simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab

    SciTech Connect

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping; Lu, Hai -Jiang; Zhu, Peng -Jia; Jiang, Feng -Jian

    2015-07-17

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at Jefferson Lab. Radiation and ionization energy loss are discussed for $^{12}C$ elastic scattering simulation. The relative momentum ratio $\\frac{\\Delta p}{p}$ and $^{12}C$ elastic cross section are compared without and with radiation energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for $^{12}C$ elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment.

  4. Methodology for analysis and simulation of large multidisciplinary problems

    NASA Technical Reports Server (NTRS)

    Russell, William C.; Ikeda, Paul J.; Vos, Robert G.

    1989-01-01

    The Integrated Structural Modeling (ISM) program is being developed for the Air Force Weapons Laboratory and will be available for Air Force work. Its goal is to provide a design, analysis, and simulation tool intended primarily for directed energy weapons (DEW), kinetic energy weapons (KEW), and surveillance applications. The code is designed to run on DEC (VMS and UNIX), IRIS, Alliant, and Cray hosts. Several technical disciplines are included in ISM, namely structures, controls, optics, thermal, and dynamics. Four topics from the broad ISM goal are discussed. The first is project configuration management and includes two major areas: the software and database arrangement and the system model control. The second is interdisciplinary data transfer and refers to exchange of data between various disciplines such as structures and thermal. Third is a discussion of the integration of component models into one system model, i.e., multiple discipline model synthesis. Last is a presentation of work on a distributed processing computing environment.

  5. Sampling errors in free energy simulations of small molecules in lipid bilayers.

    PubMed

    Neale, Chris; Pomès, Régis

    2016-10-01

    Free energy simulations are a powerful tool for evaluating the interactions of molecular solutes with lipid bilayers as mimetics of cellular membranes. However, these simulations are frequently hindered by systematic sampling errors. This review highlights recent progress in computing free energy profiles for inserting molecular solutes into lipid bilayers. Particular emphasis is placed on a systematic analysis of the free energy profiles, identifying the sources of sampling errors that reduce computational efficiency, and highlighting methodological advances that may alleviate sampling deficiencies. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. PMID:26952019

  6. Asymptotic modal analysis and statistical energy analysis

    NASA Technical Reports Server (NTRS)

    Dowell, Earl H.

    1992-01-01

    Asymptotic Modal Analysis (AMA) is a method which is used to model linear dynamical systems with many participating modes. The AMA method was originally developed to show the relationship between statistical energy analysis (SEA) and classical modal analysis (CMA). In the limit of a large number of modes of a vibrating system, the classical modal analysis result can be shown to be equivalent to the statistical energy analysis result. As the CMA result evolves into the SEA result, a number of systematic assumptions are made. Most of these assumptions are based upon the supposition that the number of modes approaches infinity. It is for this reason that the term 'asymptotic' is used. AMA is the asymptotic result of taking the limit of CMA as the number of modes approaches infinity. AMA refers to any of the intermediate results between CMA and SEA, as well as the SEA result which is derived from CMA. The main advantage of the AMA method is that individual modal characteristics are not required in the model or computations. By contrast, CMA requires that each modal parameter be evaluated at each frequency. In the latter, contributions from each mode are computed and the final answer is obtained by summing over all the modes in the particular band of interest. AMA evaluates modal parameters only at their center frequency and does not sum the individual contributions from each mode in order to obtain a final result. The method is similar to SEA in this respect. However, SEA is only capable of obtaining spatial averages or means, as it is a statistical method. Since AMA is systematically derived from CMA, it can obtain local spatial information as well.

  7. First assessment of continental energy storage in CMIP5 simulations

    NASA Astrophysics Data System (ADS)

    Cuesta-Valero, Francisco José; García-García, Almudena; Beltrami, Hugo; Smerdon, Jason E.

    2016-05-01

    Although much of the energy gained by the climate system over the last century has been stored in the oceans, continental energy storage remains important to estimate the Earth's energy imbalance and also because crucial positive climate feedback processes such as soil carbon and permafrost stability depend on continental energy storage. Here for the first time, 32 general circulation model simulations from the fifth phase of the Coupled Model Intercomparison Project (CMIP5) are examined to assess their ability to characterize the continental energy storage. Results display a consistently lower magnitude of continental energy storage in CMIP5 simulations than the estimates from geothermal data. A large range in heat storage is present across the model ensemble, which is largely explained by the substantial differences in the bottom boundary depths used in each land surface component.

  8. Image simulation for electron energy loss spectroscopy

    SciTech Connect

    Oxley, Mark P.; Pennycook, Stephen J.

    2007-10-22

    In this paper, aberration correction of the probe forming optics of the scanning transmission electron microscope has allowed the probe-forming aperture to be increased in size, resulting in probes of the order of 1 Å in diameter. The next generation of correctors promise even smaller probes. Improved spectrometer optics also offers the possibility of larger electron energy loss spectrometry detectors. The localization of images based on core-loss electron energy loss spectroscopy is examined as function of both probe-forming aperture and detector size. The effective ionization is nonlocal in nature, and two common local approximations are compared to full nonlocal calculations. Finally, the affect of the channelling of the electron probe within the sample is also discussed.

  9. Image simulation for electron energy loss spectroscopy

    DOE PAGESBeta

    Oxley, Mark P.; Pennycook, Stephen J.

    2007-10-22

    In this paper, aberration correction of the probe forming optics of the scanning transmission electron microscope has allowed the probe-forming aperture to be increased in size, resulting in probes of the order of 1 Å in diameter. The next generation of correctors promise even smaller probes. Improved spectrometer optics also offers the possibility of larger electron energy loss spectrometry detectors. The localization of images based on core-loss electron energy loss spectroscopy is examined as function of both probe-forming aperture and detector size. The effective ionization is nonlocal in nature, and two common local approximations are compared to full nonlocal calculations.more » Finally, the affect of the channelling of the electron probe within the sample is also discussed.« less

  10. Combustion irreversibilities: Numerical simulation and analysis

    NASA Astrophysics Data System (ADS)

    Silva, Valter; Rouboa, Abel

    2012-08-01

    An exergy analysis was performed considering the combustion of methane and agro-industrial residues produced in Portugal (forest residues and vines pruning). Regarding that the irreversibilities of a thermodynamic process are path dependent, the combustion process was considering as resulting from different hypothetical paths each one characterized by four main sub-processes: reactant mixing, fuel oxidation, internal thermal energy exchange (heat transfer), and product mixing. The exergetic efficiency was computed using a zero dimensional model developed by using a Visual Basic home code. It was concluded that the exergy losses were mainly due to the internal thermal energy exchange sub-process. The exergy losses from this sub-process are higher when the reactants are preheated up to the ignition temperature without previous fuel oxidation. On the other hand, the global exergy destruction can be minored increasing the pressure, the reactants temperature and the oxygen content on the oxidant stream. This methodology allows the identification of the phenomena and processes that have larger exergy losses, the understanding of why these losses occur and how the exergy changes with the parameters associated to each system which is crucial to implement the syngas combustion from biomass products as a competitive technology.

  11. Estimating Continental Energy Storage from CMIP5 Simulations

    NASA Astrophysics Data System (ADS)

    José Cuesta-Valero, Francisco; García-García, Almudena; Beltrami, Hugo; Smerdon, Jason

    2016-04-01

    The Earth's energy imbalance is a critical metric for understanding the current state of the Earth's climate system and its future evolution. Although much of the energy gained by the climate system over the last century has been stored in the oceans, the continental subsurface energy storage remains important because climate feedback processes such as soil carbon and permafrost stability depend on long-term subsurface energy storage. Here, for the first time, thirty two General Circulation Model (GCM) simulations from the fifth phase of the Coupled Model Intercomparison Project (CMIP5) were examined to assess their ability to account for the continental energy storage. The magnitude of the subsurface heat content derived from GCM simulations are consistently lower than the estimates from borehole temperature data for the second half of the 20th century. The estimates of continental heat storage from CMIP5 simulations also display a large range of variability which may be partially due to (1) the different bottom boundary depth of each GCM land surface component, limiting the subsurface heat storage, (2) the different energy exchange parameterizations between the lower atmosphere and the ground within each model, and (3) the different sensitivity of models to external forcings. Our results suggest that a deeper bottom boundary placement in the land surface component could improve the estimates of subsurface energy content within the GCM simulations.

  12. Asymptotic modal analysis and statistical energy analysis

    NASA Technical Reports Server (NTRS)

    Dowell, Earl H.; Peretti, Linda F.

    1990-01-01

    The sound field of a structural-acoustic enclosure was subject to experimental analysis and theoretical description in order to develop an efficient and accurate method for predicting sound pressure levels in enclosures such as aircraft fuselages. Asymptotic Modal Analysis (AMA) is the method under investigation. AMA is derived from classical modal analysis (CMA) by considering the asymptotic limit of the sound pressure level as the number of acoustic and/or structural modes approaches infinity. Using AMA, results identical to those of Statistical Energy Analysis (SEA) were obtained for the spatially-averaged sound pressure levels in the interior. AMA is systematically derived from CMA and therefore the degree of generality of the end result can be adjusted through the choice of appropriate simplifying assumptions. For example, AMA can be used to obtain local sound pressure levels at particular points inside the enclosure, or to include the effects of varying the size and/or location of the sound source. AMA theoretical results were compared with CMA theory and also with experiment for the case where the structural-acoustic enclosure is a rectangular cavity with part of one wall flexible and vibrating, while the rest of the cavity is rigid.

  13. Transport Energy Impact Analysis; NREL (National Renewable Energy Laboratory)

    SciTech Connect

    Gonder, J.

    2015-05-13

    Presented at the Sustainable Transportation Energy Pathways Spring 2015 Symposium on May 13, 2015, this presentation by Jeff Gonder of the National Renewable Energy Laboratory (NREL) provides information about NREL's transportation energy impact analysis of connected and automated vehicles.

  14. Performance of statistical energy analysis

    NASA Technical Reports Server (NTRS)

    Davis, R. F.; Hines, D. E.

    1973-01-01

    Statistical energy analysis (SEA) methods have been developed for high frequency modal analyses on random vibration environments. These SEA methods are evaluated by comparing analytical predictions to test results. Simple test methods are developed for establishing SEA parameter values. Techniques are presented, based on the comparison of the predictions with test values, for estimating SEA accuracy as a function of frequency for a general structure.

  15. Current work in energy analysis

    SciTech Connect

    1998-03-01

    This report describes the work performed at Berkeley Lab most recently. One of the Labs accomplishments is the publication of Scenarios of US Carbon Reductions, an analysis of the potential of energy technologies to reduce carbon emissions in the US. This analysis is described and played a key role in shaping the US position on climate change in the Kyoto Protocol negotiations. The Labs participation in the fundamental characterization of the climate change issue by the IPCC is described. Described also is a study of leaking electricity, which is stimulating an international campaign for a one-watt ceiling for standby electricity losses from appliances. This ceiling has the potential to save two-thirds of the 5% of US residential electricity currently expended on standby losses. The 54 vignettes contained in the report summarize results of research activities ranging in scale from calculating the efficacy of individual lamp ballasts to estimating the cost-effectiveness of the national Energy Star{reg_sign} labeling program, and ranging in location from a scoping study of energy-efficiency market transformation in California to development of an energy-efficiency project in the auto parts industry in Shandong Province, China.

  16. Balancing Accuracy and Cost of Confinement Simulations by Interpolation and Extrapolation of Confinement Energies.

    PubMed

    Villemot, François; Capelli, Riccardo; Colombo, Giorgio; van der Vaart, Arjan

    2016-06-14

    Improvements to the confinement method for the calculation of conformational free energy differences are presented. By taking advantage of phase space overlap between simulations at different frequencies, significant gains in accuracy and speed are reached. The optimal frequency spacing for the simulations is obtained from extrapolations of the confinement energy, and relaxation time analysis is used to determine time steps, simulation lengths, and friction coefficients. At postprocessing, interpolation of confinement energies is used to significantly reduce discretization errors in the calculation of conformational free energies. The efficiency of this protocol is illustrated by applications to alanine n-peptides and lactoferricin. For the alanine-n-peptide, errors were reduced between 2- and 10-fold and sampling times between 8- and 67-fold, while for lactoferricin the long sampling times at low frequencies were reduced 10-100-fold. PMID:27120438

  17. Contribution to solving the energy crisis - Simulating the prospects for low cost energy through silicon solar cells

    NASA Technical Reports Server (NTRS)

    Kran, A.

    1978-01-01

    PECAN (Photovoltaic Energy Conversion Analysis) is a highly interactive decision analysis and support system. It simulates the prospects for widespread use of solar cells for the generation of electrical power. PECAN consists of a set of integrated APL functions for evaluating the potential of terrestrial photovoltaics. Specifically, the system is a deterministic simulator, which translates present and future manufacturing technology into economic and financial terms, using the production unit concept. It guides solar cell development in three areas: tactical decision making, strategic planning, and the formulation of alternative options.

  18. Asymptotic modal analysis and statistical energy analysis

    NASA Technical Reports Server (NTRS)

    Dowell, Earl H.

    1988-01-01

    Statistical Energy Analysis (SEA) is defined by considering the asymptotic limit of Classical Modal Analysis, an approach called Asymptotic Modal Analysis (AMA). The general approach is described for both structural and acoustical systems. The theoretical foundation is presented for structural systems, and experimental verification is presented for a structural plate responding to a random force. Work accomplished subsequent to the grant initiation focusses on the acoustic response of an interior cavity (i.e., an aircraft or spacecraft fuselage) with a portion of the wall vibrating in a large number of structural modes. First results were presented at the ASME Winter Annual Meeting in December, 1987, and accepted for publication in the Journal of Vibration, Acoustics, Stress and Reliability in Design. It is shown that asymptotically as the number of acoustic modes excited becomes large, the pressure level in the cavity becomes uniform except at the cavity boundaries. However, the mean square pressure at the cavity corner, edge and wall is, respectively, 8, 4, and 2 times the value in the cavity interior. Also it is shown that when the portion of the wall which is vibrating is near a cavity corner or edge, the response is significantly higher.

  19. Plasma simulations of emission line regions in high energy environments

    NASA Astrophysics Data System (ADS)

    Richardson, Chris T.

    This dissertation focuses on understanding two different, but in each case extreme, astrophysical environments: the Crab Nebula and emission line galaxies. These relatively local objects are well constrained by observations and are test cases of phenomena seen at high-z where detailed observations are rare. The tool used to study these objects is the plasma simulation code known as Cloudy. The introduction provides a brief summary of relevant physical concepts in nebular astrophysics and presents the basic features and assumptions of Cloudy. The first object investigated with Cloudy, the Crab Nebula, is a nearby supernova remnant that previously has been subject to photoionization modeling to reproduce the ionized emission seen in the nebula's filamentary structure. However, there are still several unanswered questions: (1) What excites the H2 emitting gas? (2) How much mass is in the molecular component? (3) How did the H2 form? (4) What is nature of the dust grains? A large suite of observations including long slit optical and NIR spectra over ionized, neutral and molecular gas in addition to HST and NIR ground based images constrain a particularly bright region of H2 emission, Knot 51, which exhibits a high excitation temperature of ˜3000 K. Simulations of K51 revealed that only a trace amount of H2 is needed to reproduce the observed emission and that H2 forms through an uncommon nebular process known as associative detachment. The final chapters of this dissertation focus on interpreting the narrow line region (NLR) in low-z emission line galaxies selected by a novel technique known as mean field independent component analysis (MFICA). A mixture of starlight and radiation from an AGN excites the gas present in galaxies. MFICA separates galaxies over a wide range of ionization into subsets of pure AGN and pure star forming galaxies allowing simulations to reveal the properties responsible for their observed variation in ionization. Emission line ratios can

  20. On energy and momentum conservation in particle-in-cell plasma simulation

    NASA Astrophysics Data System (ADS)

    Brackbill, J. U.

    2016-07-01

    Particle-in-cell (PIC) plasma simulations are a productive and valued tool for the study of nonlinear plasma phenomena, yet there are basic questions about the simulation methods themselves that remain unanswered. Here we study energy and momentum conservation by PIC. We employ both analysis and simulations of one-dimensional, electrostatic plasmas to understand why PIC simulations are either energy or momentum conserving but not both, what role a numerical stability plays in non-conservation, and how errors in conservation scale with the numerical parameters. Conserving both momentum and energy make it possible to model problems such as Jeans'-type equilibria. Avoiding numerical instability is useful, but so is being able to identify when its effect on the results may be important. Designing simulations to achieve the best possible accuracy with the least expenditure of effort requires results on the scaling of error with the numerical parameters. Our results identify the central role of Gauss' law in conservation of both momentum and energy, and the significant differences in numerical stability and error scaling between energy-conserving and momentum-conserving simulations.

  1. NREL Develops Diagnostic Test Cases to Improve Building Energy Simulation Programs (Fact Sheet)

    SciTech Connect

    Not Available

    2011-12-01

    This technical highlight describes NREL research to develop a set of diagnostic test cases for building energy simulations in order to achieve more accurate energy use and savings predictions. The National Renewable Energy Laboratory (NREL) Residential and Commercial Buildings research groups developed a set of diagnostic test cases for building energy simulations. Eight test cases were developed to test surface conduction heat transfer algorithms of building envelopes in building energy simulation programs. These algorithms are used to predict energy flow through external opaque surfaces such as walls, ceilings, and floors. The test cases consist of analytical and vetted numerical heat transfer solutions that have been available for decades, which increases confidence in test results. NREL researchers adapted these solutions for comparisons with building energy simulation results. Testing the new cases with EnergyPlus identified issues with the conduction finite difference (CondFD) heat transfer algorithm in versions 5 and 6. NREL researchers resolved these issues for EnergyPlus version 7. The new test cases will help users and developers of EnergyPlus and other building energy tools to identify and fix problems associated with solid conduction heat transfer algorithms of building envelopes and their boundary conditions. In the long term, improvements to software algorithms will result in more accurate energy use and savings predictions. NREL researchers plan to document the set of test cases and make them available for future consideration by validation standards such as ASHRAE Standard 140: Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs. EnergyPlus users will also have access to the improved CondFD model in version 7 after its next scheduled release.

  2. Simulating a Nationally Representative Housing Sample Using EnergyPlus

    SciTech Connect

    Hopkins, Asa S.; Lekov, Alex; Lutz, James; Rosenquist, Gregory; Gu, Lixing

    2011-03-04

    This report presents a new simulation tool under development at Lawrence Berkeley National Laboratory (LBNL). This tool uses EnergyPlus to simulate each single-family home in the Residential Energy Consumption Survey (RECS), and generates a calibrated, nationally representative set of simulated homes whose energy use is statistically indistinguishable from the energy use of the single-family homes in the RECS sample. This research builds upon earlier work by Ritchard et al. for the Gas Research Institute and Huang et al. for LBNL. A representative national sample allows us to evaluate the variance in energy use between individual homes, regions, or other subsamples; using this tool, we can also evaluate how that variance affects the impacts of potential policies. The RECS contains information regarding the construction and location of each sampled home, as well as its appliances and other energy-using equipment. We combined this data with the home simulation prototypes developed by Huang et al. to simulate homes that match the RECS sample wherever possible. Where data was not available, we used distributions, calibrated using the RECS energy use data. Each home was assigned a best-fit location for the purposes of weather and some construction characteristics. RECS provides some detail on the type and age of heating, ventilation, and air-conditioning (HVAC) equipment in each home; we developed EnergyPlus models capable of reproducing the variety of technologies and efficiencies represented in the national sample. This includes electric, gas, and oil furnaces, central and window air conditioners, central heat pumps, and baseboard heaters. We also developed a model of duct system performance, based on in-home measurements, and integrated this with fan performance to capture the energy use of single- and variable-speed furnace fans, as well as the interaction of duct and fan performance with the efficiency of heating and cooling equipment. Comparison with RECS revealed

  3. FDTD simulation tools for UWB antenna analysis.

    SciTech Connect

    Brocato, Robert Wesley

    2005-02-01

    This paper describes the development of a set of software tools useful for analyzing ultra-wideband (UWB) antennas and structures. These tools are used to perform finite difference time domain (FDTD) simulation of a conical antenna with continuous wave (CW) and UWB pulsed excitations. The antenna is analyzed using spherical coordinate-based FDTD equations that are derived from first principles. The simulation results for CW excitation are compared to simulation and measured results from published sources; the results for UWB excitation are new.

  4. FDTD simulation tools for UWB antenna analysis.

    SciTech Connect

    Brocato, Robert Wesley

    2004-12-01

    This paper describes the development of a set of software tools useful for analyzing ultra-wideband (UWB) antennas and structures. These tools are used to perform finite difference time domain (FDTD) simulation of a conical antenna with continuous wave (CW) and UWB pulsed excitations. The antenna is analyzed using spherical coordinate-based FDTD equations that are derived from first principles. The simulation results for CW excitation are compared to simulation and measured results from published sources; the results for UWB excitation are new.

  5. SUPERNOVA SIMULATIONS AND STRATEGIES FOR THE DARK ENERGY SURVEY

    SciTech Connect

    Bernstein, J. P.; Kuhlmann, S.; Biswas, R.; Kovacs, E.; Crane, I.; Hufford, T.; Kessler, R.; Frieman, J. A.; Aldering, G.; Kim, A. G.; Nugent, P.; D'Andrea, C. B.; Nichol, R. C.; Finley, D. A.; Marriner, J.; Reis, R. R. R.; Jarvis, M. J.; Mukherjee, P.; Parkinson, D.; Sako, M.; and others

    2012-07-10

    We present an analysis of supernova light curves simulated for the upcoming Dark Energy Survey (DES) supernova search. The simulations employ a code suite that generates and fits realistic light curves in order to obtain distance modulus/redshift pairs that are passed to a cosmology fitter. We investigated several different survey strategies including field selection, supernova selection biases, and photometric redshift measurements. Using the results of this study, we chose a 30 deg{sup 2} search area in the griz filter set. We forecast (1) that this survey will provide a homogeneous sample of up to 4000 Type Ia supernovae in the redshift range 0.05

  6. Simplified building energy analysis tool for architects

    NASA Astrophysics Data System (ADS)

    Chaisuparasmikul, Pongsak

    applicable to the earliest stage of design, where more informed analysis of possible alternatives could yield the most benefit and the greatest cost savings both economic and environmental. This is where computer modeling and simulation can really lead to better and energy efficient buildings. Both apply to internal environment and human comfort, and environmental impact from surroundings.

  7. Aircraft vulnerability analysis by modeling and simulation

    NASA Astrophysics Data System (ADS)

    Willers, Cornelius J.; Willers, Maria S.; de Waal, Alta

    2014-10-01

    Infrared missiles pose a significant threat to civilian and military aviation. ManPADS missiles are especially dangerous in the hands of rogue and undisciplined forces. Yet, not all the launched missiles hit their targets; the miss being either attributable to misuse of the weapon or to missile performance restrictions. This paper analyses some of the factors affecting aircraft vulnerability and demonstrates a structured analysis of the risk and aircraft vulnerability problem. The aircraft-missile engagement is a complex series of events, many of which are only partially understood. Aircraft and missile designers focus on the optimal design and performance of their respective systems, often testing only in a limited set of scenarios. Most missiles react to the contrast intensity, but the variability of the background is rarely considered. Finally, the vulnerability of the aircraft depends jointly on the missile's performance and the doctrine governing the missile's launch. These factors are considered in a holistic investigation. The view direction, altitude, time of day, sun position, latitude/longitude and terrain determine the background against which the aircraft is observed. Especially high gradients in sky radiance occur around the sun and on the horizon. This paper considers uncluttered background scenes (uniform terrain and clear sky) and presents examples of background radiance at all view angles across a sphere around the sensor. A detailed geometrical and spatially distributed radiometric model is used to model the aircraft. This model provides the signature at all possible view angles across the sphere around the aircraft. The signature is determined in absolute terms (no background) and in contrast terms (with background). It is shown that the background significantly affects the contrast signature as observed by the missile sensor. A simplified missile model is constructed by defining the thrust and mass profiles, maximum seeker tracking rate, maximum

  8. Multimodel Simulation of Water Flow: Uncertainty Analysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Simulations of soil water flow require measurements of soil hydraulic properties which are particularly difficult at the field scale. Laboratory measurements provide hydraulic properties at scales finer than the field scale, whereas pedotransfer functions (PTFs) integrate information on hydraulic pr...

  9. Image based SAR product simulation for analysis

    NASA Technical Reports Server (NTRS)

    Domik, G.; Leberl, F.

    1987-01-01

    SAR product simulation serves to predict SAR image gray values for various flight paths. Input typically consists of a digital elevation model and backscatter curves. A new method is described of product simulation that employs also a real SAR input image for image simulation. This can be denoted as 'image-based simulation'. Different methods to perform this SAR prediction are presented and advantages and disadvantages discussed. Ascending and descending orbit images from NASA's SIR-B experiment were used for verification of the concept: input images from ascending orbits were converted into images from a descending orbit; the results are compared to the available real imagery to verify that the prediction technique produces meaningful image data.

  10. Clean Energy Manufacturing Analysis Center (CEMAC)

    SciTech Connect

    2015-12-01

    The U.S. Department of Energy's Clean Energy Manufacturing Analysis Center (CEMAC) provides objective analysis and up-to-date data on global supply chains and manufacturing of clean energy technologies. Policymakers and industry leaders seek CEMAC insights to inform choices to promote economic growth and the transition to a clean energy economy.

  11. SimUGV: a simulator for analyzing energy dynamics and locomotion for unmanned ground vehicles (UGV)

    NASA Astrophysics Data System (ADS)

    Sinha, Aakash K.; Vashishtha, Jyoti

    2006-05-01

    In the area of research on unmanned ground vehicles (UGV), one major problem is limited operating duration of robotics vehicles due to energy losses. There is a need for systematic analysis of locomotion and energy dynamics, which would enable an efficient design of the vehicle. For this purpose, a multifunction simulator tool is required which can read several input variables that describe the vehicle and compute detailed analysis of its energy dynamics. This research presents a generic locomotion simulator for a UGV (SimUGV). SimUGV's goal is to help vehicle designers develop efficient vehicles by optimizing design variables to minimize the energy losses for the vehicle. SimUGV has a powerful GUI interface which allows users to compare multiple test runs and visualize the data in a variety of ways. To illustrate the capabilities of the simulator, we present a case study conducted on the energy dynamics of a skid steering robotic vehicle. Two major constituent components of energy losses/consumption for a skid steering vehicle are - losses in skid steer turning, and losses in rolling. Using SimUGV, we present a detailed energy loss analysis of the vehicle's different turning modes; elastic mode steering, half-slip steering, skid turns, low radius turns, and zero radius turns. Each of the energy loss components is modeled from physics in terms of the design variables. The effect of design variables on the total energy losses/consumption is then studied using simulated data for different types of surfaces i.e. hard surfaces and muddy surfaces. Finally, we make suggestions about efficient vehicle design choices in terms of the design variables.

  12. Complexity analysis of simulations with analytic bond-order potentials

    NASA Astrophysics Data System (ADS)

    Teijeiro, Carlos; Hammerschmidt, Thomas; Seiser, Bernhard; Drautz, Ralf; Sutmann, Godehard

    2016-02-01

    The modeling of materials at the atomistic level with interatomic potentials requires a reliable description of different bonding situations and relevant system properties. For this purpose, analytic bond-order potentials (BOPs) provide a systematic and robust approximation to density functional theory (DFT) and tight binding (TB) calculations at reasonable computational cost. This paper presents a formal analysis of the computational complexity of analytic BOP simulations, based on a detailed assessment of the most computationally intensive parts. Different implementation algorithms are presented alongside with optimizations for efficient numerical processing. The theoretical complexity study is complemented by systematic benchmarks of the scalability of the algorithms with increasing system size and accuracy level of the BOP approximation. Both approaches demonstrate that the computation of atomic forces in analytic BOPs can be performed with a similar scaling as the computation of atomic energies.

  13. Analysis of Boundary Conditions for Crystal Defect Atomistic Simulations

    NASA Astrophysics Data System (ADS)

    Ehrlacher, V.; Ortner, C.; Shapeev, A. V.

    2016-06-01

    Numerical simulations of crystal defects are necessarily restricted to finite computational domains, supplying artificial boundary conditions that emulate the effect of embedding the defect in an effectively infinite crystalline environment. This work develops a rigorous framework within which the accuracy of different types of boundary conditions can be precisely assessed. We formulate the equilibration of crystal defects as variational problems in a discrete energy space and establish qualitatively sharp regularity estimates for minimisers. Using this foundation we then present rigorous error estimates for (i) a truncation method (Dirichlet boundary conditions), (ii) periodic boundary conditions, (iii) boundary conditions from linear elasticity, and (iv) boundary conditions from nonlinear elasticity. Numerical results confirm the sharpness of the analysis.

  14. Practical Integration Approach and Whole Building Energy Simulation of Three Energy Efficient Building Technologies: Preprint

    SciTech Connect

    Miller, J. P.; Zhivov, A.; Heron, D.; Deru, M.; Benne, K.

    2010-08-01

    Three technologies that have potential to save energy and improve sustainability of buildings are dedicated outdoor air systems, radiant heating and cooling systems and tighter building envelopes. To investigate the energy savings potential of these three technologies, whole building energy simulations were performed for a barracks facility and an administration facility in 15 U.S. climate zones and 16 international locations.

  15. Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

    DOE PAGESBeta

    Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; Knott, Brandon C.; Beckham, Gregg T.; Yasuoka, Kenji; Wu, David T.; Amadeu K. Sum

    2015-01-06

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP)more » methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.« less

  16. Nucleation Rate Analysis of Methane Hydrate from Molecular Dynamics Simulations

    SciTech Connect

    Yuhara, Daisuke; Barnes, Brian C.; Suh, Donguk; Knott, Brandon C.; Beckham, Gregg T.; Yasuoka, Kenji; Wu, David T.; Amadeu K. Sum

    2015-01-06

    Clathrate hydrates are solid crystalline structures most commonly formed from solutions that have nucleated to form a mixed solid composed of water and gas. Understanding the mechanism of clathrate hydrate nucleation is essential to grasp the fundamental chemistry of these complex structures and their applications. Molecular dynamics (MD) simulation is an ideal method to study nucleation at the molecular level because the size of the critical nucleus and formation rate occur on the nano scale. Moreover, various analysis methods for nucleation have been developed through MD to analyze nucleation. In particular, the mean first-passage time (MFPT) and survival probability (SP) methods have proven to be effective in procuring the nucleation rate and critical nucleus size for monatomic systems. This study assesses the MFPT and SP methods, previously used for monatomic systems, when applied to analyzing clathrate hydrate nucleation. Because clathrate hydrate nucleation is relatively difficult to observe in MD simulations (due to its high free energy barrier), these methods have yet to be applied to clathrate hydrate systems. In this study, we have analyzed the nucleation rate and critical nucleus size of methane hydrate using MFPT and SP methods from data generated by MD simulations at 255 K and 50 MPa. MFPT was modified for clathrate hydrate from the original version by adding the maximum likelihood estimate and growth effect term. The nucleation rates were calculated by MFPT and SP methods and are within 5%; the critical nucleus size estimated by the MFPT method was 50% higher, than values obtained through other more rigorous but computationally expensive estimates. These methods can also be extended to the analysis of other clathrate hydrates.

  17. Multiphysics Simulation in the Development of Thermoelectric Energy Harvesting Systems

    NASA Astrophysics Data System (ADS)

    Nesarajah, Marco; Frey, Georg

    2016-03-01

    This contribution presents a model-based development process for thermoelectric energy harvesting systems. Such systems convert thermal energy into electrical energy and produce enough energy to supply low-power devices. Realizations require three main challenges to be solved: to guarantee optimal thermal connection of the thermoelectric generators, to find a good design for the energy harvesting system, and to find an optimal electrical connection. Therefore, a development process is presented here. The process is divided into different steps and supports the developer in finding an optimal thermoelectric energy harvesting system for a given heat source and given objectives (technical and economical). During the process, several steps are supported by simulation models. Based on developed model libraries in Modelica®/Dymola®, thermal, thermoelectrical, electrical, and control components can be modeled, integrated into different variants, and verified step by step before the system is physically built and finally validated. The process is illustrated by an example through all the steps.

  18. Computer simulated building energy consumption for verification of energy conservation measures in network facilities

    NASA Technical Reports Server (NTRS)

    Plankey, B.

    1981-01-01

    A computer program called ECPVER (Energy Consumption Program - Verification) was developed to simulate all energy loads for any number of buildings. The program computes simulated daily, monthly, and yearly energy consumption which can be compared with actual meter readings for the same time period. Such comparison can lead to validation of the model under a variety of conditions, which allows it to be used to predict future energy saving due to energy conservation measures. Predicted energy saving can then be compared with actual saving to verify the effectiveness of those energy conservation changes. This verification procedure is planned to be an important advancement in the Deep Space Network Energy Project, which seeks to reduce energy cost and consumption at all DSN Deep Space Stations.

  19. Experimental spectra analysis in THM with the help of simulation based on the Geant4 framework

    NASA Astrophysics Data System (ADS)

    Li, Cheng-Bo; Wen, Qun-Gang; Zhou, Shu-Hua; Jiang, Zong-Jun; Fu, Yuan-Yong; Zhou, Jing; Meng, Qiu-Ying; Wang, Xiao-Lian

    2015-05-01

    The Coulomb barrier and electron screening cause difficulties in directly measuring nuclear reaction cross sections of charged particles at astrophysical energies. The Trojan-horse method (THM) has been introduced to solve the difficulties as a powerful indirect tool. In order to understand experimental spectra better, Geant4 is employed to simulate the method. Validity and reliability of simulation data are examined by comparing the experimental data with simulated results. The Geant4 simulation of THM improves data analysis and is beneficial to the design for future related experiments. Supported by National Natural Science Foundation of China (11075218, 10575132) and Beijing Natural Science Foundation (1122017)

  20. National Geo-Database for Biofuel Simulations and Regional Analysis

    SciTech Connect

    Izaurralde, Roberto C.; Zhang, Xuesong; Sahajpal, Ritvik; Manowitz, David H.

    2012-04-01

    The goal of this project undertaken by GLBRC (Great Lakes Bioenergy Research Center) Area 4 (Sustainability) modelers is to develop a national capability to model feedstock supply, ethanol production, and biogeochemical impacts of cellulosic biofuels. The results of this project contribute to sustainability goals of the GLBRC; i.e. to contribute to developing a sustainable bioenergy economy: one that is profitable to farmers and refiners, acceptable to society, and environmentally sound. A sustainable bioenergy economy will also contribute, in a fundamental way, to meeting national objectives on energy security and climate mitigation. The specific objectives of this study are to: (1) develop a spatially explicit national geodatabase for conducting biofuel simulation studies; (2) model biomass productivity and associated environmental impacts of annual cellulosic feedstocks; (3) simulate production of perennial biomass feedstocks grown on marginal lands; and (4) locate possible sites for the establishment of cellulosic ethanol biorefineries. To address the first objective, we developed SENGBEM (Spatially Explicit National Geodatabase for Biofuel and Environmental Modeling), a 60-m resolution geodatabase of the conterminous USA containing data on: (1) climate, (2) soils, (3) topography, (4) hydrography, (5) land cover/ land use (LCLU), and (6) ancillary data (e.g., road networks, federal and state lands, national and state parks, etc.). A unique feature of SENGBEM is its 2008-2010 crop rotation data, a crucially important component for simulating productivity and biogeochemical cycles as well as land-use changes associated with biofuel cropping. We used the EPIC (Environmental Policy Integrated Climate) model to simulate biomass productivity and environmental impacts of annual and perennial cellulosic feedstocks across much of the USA on both croplands and marginal lands. We used data from LTER and eddy-covariance experiments within the study region to test the

  1. Hybrid Simulation Modeling to Estimate U.S. Energy Elasticities

    NASA Astrophysics Data System (ADS)

    Baylin-Stern, Adam C.

    This paper demonstrates how an U.S. application of CIMS, a technologically explicit and behaviourally realistic energy-economy simulation model which includes macro-economic feedbacks, can be used to derive estimates of elasticity of substitution (ESUB) and autonomous energy efficiency index (AEEI) parameters. The ability of economies to reduce greenhouse gas emissions depends on the potential for households and industry to decrease overall energy usage, and move from higher to lower emissions fuels. Energy economists commonly refer to ESUB estimates to understand the degree of responsiveness of various sectors of an economy, and use estimates to inform computable general equilibrium models used to study climate policies. Using CIMS, I have generated a set of future, 'pseudo-data' based on a series of simulations in which I vary energy and capital input prices over a wide range. I then used this data set to estimate the parameters for transcendental logarithmic production functions using regression techniques. From the production function parameter estimates, I calculated an array of elasticity of substitution values between input pairs. Additionally, this paper demonstrates how CIMS can be used to calculate price-independent changes in energy-efficiency in the form of the AEEI, by comparing energy consumption between technologically frozen and 'business as usual' simulations. The paper concludes with some ideas for model and methodological improvement, and how these might figure into future work in the estimation of ESUBs from CIMS. Keywords: Elasticity of substitution; hybrid energy-economy model; translog; autonomous energy efficiency index; rebound effect; fuel switching.

  2. Co-Simulation of Building Energy and Control Systems with the Building Controls Virtual Test Bed

    SciTech Connect

    Wetter, Michael

    2010-08-22

    This article describes the implementation of the Building Controls Virtual Test Bed (BCVTB). The BCVTB is a software environment that allows connecting different simulation programs to exchange data during the time integration, and that allows conducting hardware in the loop simulation. The software architecture is a modular design based on Ptolemy II, a software environment for design and analysis of heterogeneous systems. Ptolemy II provides a graphical model building environment, synchronizes the exchanged data and visualizes the system evolution during run-time. The BCVTB provides additions to Ptolemy II that allow the run-time coupling of different simulation programs for data exchange, including EnergyPlus, MATLAB, Simulink and the Modelica modelling and simulation environment Dymola. The additions also allow executing system commands, such as a script that executes a Radiance simulation. In this article, the software architecture is presented and the mathematical model used to implement the co-simulation is discussed. The simulation program interface that the BCVTB provides is explained. The article concludes by presenting applications in which different state of the art simulation programs are linked for run-time data exchange. This link allows the use of the simulation program that is best suited for the particular problem to model building heat transfer, HVAC system dynamics and control algorithms, and to compute a solution to the coupled problem using co-simulation.

  3. Simulated galaxy interactions as probes of merger spectral energy distributions

    SciTech Connect

    Lanz, Lauranne; Zezas, Andreas; Smith, Howard A.; Ashby, Matthew L. N.; Fazio, Giovanni G.; Hernquist, Lars; Hayward, Christopher C.; Brassington, Nicola

    2014-04-10

    We present the first systematic comparison of ultraviolet-millimeter spectral energy distributions (SEDs) of observed and simulated interacting galaxies. Our sample is drawn from the Spitzer Interacting Galaxy Survey and probes a range of galaxy interaction parameters. We use 31 galaxies in 14 systems which have been observed with Herschel, Spitzer, GALEX, and 2MASS. We create a suite of GADGET-3 hydrodynamic simulations of isolated and interacting galaxies with stellar masses comparable to those in our sample of interacting galaxies. Photometry for the simulated systems is then calculated with the SUNRISE radiative transfer code for comparison with the observed systems. For most of the observed systems, one or more of the simulated SEDs match reasonably well. The best matches recover the infrared luminosity and the star formation rate of the observed systems, and the more massive systems preferentially match SEDs from simulations of more massive galaxies. The most morphologically distorted systems in our sample are best matched to the simulated SEDs that are close to coalescence, while less evolved systems match well with the SEDs over a wide range of interaction stages, suggesting that an SED alone is insufficient for identifying the interaction stage except during the most active phases in strongly interacting systems. This result is supported by our finding that the SEDs calculated for simulated systems vary little over the interaction sequence.

  4. Collection and analysis of training simulator data

    SciTech Connect

    Krois, P.A.; Haas, P.M.

    1985-01-01

    The purposes of this paper are: (1) to review the objectives, approach, and results of a series of research experiments performed on nuclear power plant training simulators in support of regulatory and research programs of the US Nuclear Regulatory Commission (NRC), and (2) to identify general research issues that may lead to an improved research methodology using the training simulator as a field setting. Research products consist of a refined field research methodology, a data store on operator performance, and specific results pertinent to NRC regulatory positions. Issues and potential advances in operator performance measurement are discussed.

  5. Parachute system design, analysis, and simulation tool

    SciTech Connect

    Sundberg, W.D.; McBride, D.D.; Gwinn, K.W.; Waye, D.E.; Hailey, C.E.

    1992-01-01

    For over twenty years designers at Sandia National Laboratories have developed various parachute simulation codes to model deployment, inflation, loading, trajectories, aircraft downwash and line sail. In addition to these codes, material property data bases have been acquired. Recently we have initiated project to integrate these codes and data bases into a single software tool entitled SPARSYS (Sandia PARachute SYstem Simulation). We have constructed a graphical user interface as the driver and framework for SPARSYS. In this paper we present a status report on SPARSYS describing progress in developing and incorporating independent modules, in developing an integrated trajectory package, and in developing a materials data base including high-rate-of-strain data.

  6. Simulation and Big Data Challenges in Tuning Building Energy Models

    SciTech Connect

    Sanyal, Jibonananda; New, Joshua Ryan

    2013-01-01

    EnergyPlus is the flagship building energy simulation software used to model whole building energy consumption for residential and commercial establishments. A typical input to the program often has hundreds, sometimes thousands of parameters which are typically tweaked by a buildings expert to get it right . This process can sometimes take months. Autotune is an ongoing research effort employing machine learning techniques to automate the tuning of the input parameters for an EnergyPlus input description of a building. Even with automation, the computational challenge faced to run the tuning simulation ensemble is daunting and requires the use of supercomputers to make it tractable in time. In this proposal, we describe the scope of the problem, the technical challenges faced and overcome, the machine learning techniques developed and employed, and the software infrastructure developed/in development when taking the EnergyPlus engine, which was primarily designed to run on desktops, and scaling it to run on shared memory supercomputers (Nautilus) and distributed memory supercomputers (Frost and Titan). The parametric simulations produce data in the order of tens to a couple of hundred terabytes.We describe the approaches employed to streamline and reduce bottlenecks in the workflow for this data, which is subsequently being made available for the tuning effort as well as made available publicly for open-science.

  7. A New Model to Simulate Energy Performance of VRF Systems

    SciTech Connect

    Hong, Tianzhen; Pang, Xiufeng; Schetrit, Oren; Wang, Liping; Kasahara, Shinichi; Yura, Yoshinori; Hinokuma, Ryohei

    2014-03-30

    This paper presents a new model to simulate energy performance of variable refrigerant flow (VRF) systems in heat pump operation mode (either cooling or heating is provided but not simultaneously). The main improvement of the new model is the introduction of the evaporating and condensing temperature in the indoor and outdoor unit capacity modifier functions. The independent variables in the capacity modifier functions of the existing VRF model in EnergyPlus are mainly room wet-bulb temperature and outdoor dry-bulb temperature in cooling mode and room dry-bulb temperature and outdoor wet-bulb temperature in heating mode. The new approach allows compliance with different specifications of each indoor unit so that the modeling accuracy is improved. The new VRF model was implemented in a custom version of EnergyPlus 7.2. This paper first describes the algorithm for the new VRF model, which is then used to simulate the energy performance of a VRF system in a Prototype House in California that complies with the requirements of Title 24 ? the California Building Energy Efficiency Standards. The VRF system performance is then compared with three other types of HVAC systems: the Title 24-2005 Baseline system, the traditional High Efficiency system, and the EnergyStar Heat Pump system in three typical California climates: Sunnyvale, Pasadena and Fresno. Calculated energy savings from the VRF systems are significant. The HVAC site energy savings range from 51 to 85percent, while the TDV (Time Dependent Valuation) energy savings range from 31 to 66percent compared to the Title 24 Baseline Systems across the three climates. The largest energy savings are in Fresno climate followed by Sunnyvale and Pasadena. The paper discusses various characteristics of the VRF systems contributing to the energy savings. It should be noted that these savings are calculated using the Title 24 prototype House D under standard operating conditions. Actual performance of the VRF systems for real

  8. HEAO-1 analysis of Low Energy Detectors (LED)

    NASA Technical Reports Server (NTRS)

    Nousek, John A.

    1992-01-01

    The activities at Penn State University are described. During the period Oct. 1990 to Dec. 1991 work on HEAO-1 analysis of the Low Energy Detectors (LED) concentrated on using the improved detector spectral simulation model and fitting diffuse x-ray background spectral data. Spectral fitting results, x-ray point sources, and diffuse x-ray sources are described.

  9. Dynamic Process Simulation for Analysis and Design.

    ERIC Educational Resources Information Center

    Nuttall, Herbert E., Jr.; Himmelblau, David M.

    A computer program for the simulation of complex continuous process in real-time in an interactive mode is described. The program is user oriented, flexible, and provides both numerical and graphic output. The program has been used in classroom teaching and computer aided design. Typical input and output are illustrated for a sample problem to…

  10. Energy analysis of wave and tidal power

    NASA Astrophysics Data System (ADS)

    Harrison, R.; Smith, K. G.; Varley, J. S.

    1980-06-01

    Energy requirements for building wave- and tidal-power systems are estimated and the relationship between energy requirements and extraction efficiency is examined for wavepower systems. It is found that a point of maximum net output is reached, beyond which further increases in extraction efficiency result in decreased net energy. In this manner, the energy analysis identifies a limit on the energy which could, in principle, be extracted by a wave-energy system. Finally, it is noted that although similar limits could be identified for other types of energy sources, the tidal power analysis is confined to a brief comparison of energy inputs and outputs.

  11. Self-affine analysis of protein energy

    NASA Astrophysics Data System (ADS)

    Figueirêdo, P. H.; Moret, M. A.; Pascutti, P. G.; Nogueira, E.; Coutinho, S.

    2010-07-01

    We study the time series of the total energy of polypeptides and proteins. These time series were generated by molecular dynamics methods and analyzed by applying detrended fluctuation analysis to estimate the long-range power-law correlation, i.e. to measure scaling exponents α. Such exponents were calculated for all systems and their values follow environment conditions, i.e., they are temperature dependent and also, in a continuum medium approach, vary according to the dielectric constants (we simulated ɛ=2 and ɛ=80). The procedure was applied to investigate polyalanines, and other realistic models of proteins (Insect Defensin A and Hemoglobin). The present findings exhibit results that are consistent with previous ones obtained by other methodologies.

  12. In situ and in-transit analysis of cosmological simulations

    NASA Astrophysics Data System (ADS)

    Friesen, Brian; Almgren, Ann; Lukić, Zarija; Weber, Gunther; Morozov, Dmitriy; Beckner, Vincent; Day, Marcus

    2016-08-01

    Modern cosmological simulations have reached the trillion-element scale, rendering data storage and subsequent analysis formidable tasks. To address this circumstance, we present a new MPI-parallel approach for analysis of simulation data while the simulation runs, as an alternative to the traditional workflow consisting of periodically saving large data sets to disk for subsequent `offline' analysis. We demonstrate this approach in the compressible gasdynamics/ N-body code Nyx, a hybrid MPI+OpenMP code based on the BoxLib framework, used for large-scale cosmological simulations. We have enabled on-the-fly workflows in two different ways: one is a straightforward approach consisting of all MPI processes periodically halting the main simulation and analyzing each component of data that they own (` in situ'). The other consists of partitioning processes into disjoint MPI groups, with one performing the simulation and periodically sending data to the other `sidecar' group, which post-processes it while the simulation continues (`in-transit'). The two groups execute their tasks asynchronously, stopping only to synchronize when a new set of simulation data needs to be analyzed. For both the in situ and in-transit approaches, we experiment with two different analysis suites with distinct performance behavior: one which finds dark matter halos in the simulation using merge trees to calculate the mass contained within iso-density contours, and another which calculates probability distribution functions and power spectra of various fields in the simulation. Both are common analysis tasks for cosmology, and both result in summary statistics significantly smaller than the original data set. We study the behavior of each type of analysis in each workflow in order to determine the optimal configuration for the different data analysis algorithms.

  13. Protein thermostability calculations using alchemical free energy simulations.

    PubMed

    Seeliger, Daniel; de Groot, Bert L

    2010-05-19

    Thermal stability of proteins is crucial for both biotechnological and therapeutic applications. Rational protein engineering therefore frequently aims at increasing thermal stability by introducing stabilizing mutations. The accurate prediction of the thermodynamic consequences caused by mutations, however, is highly challenging as thermal stability changes are caused by alterations in the free energy of folding. Growing computational power, however, increasingly allows us to use alchemical free energy simulations, such as free energy perturbation or thermodynamic integration, to calculate free energy differences with relatively high accuracy. In this article, we present an automated protocol for setting up alchemical free energy calculations for mutations of naturally occurring amino acids (except for proline) that allows an unprecedented, automated screening of large mutant libraries. To validate the developed protocol, we calculated thermodynamic stability differences for 109 mutations in the microbial Ribonuclease Barnase. The obtained quantitative agreement with experimental data illustrates the potential of the approach in protein engineering and design. PMID:20483340

  14. Finecasting for renewable energy with large-eddy simulation

    NASA Astrophysics Data System (ADS)

    Jonker, Harmen; Verzijlbergh, Remco

    2016-04-01

    We present results of a single, continuous Large-Eddy Simulation of actual weather conditions during the timespan of a full year, made possible through recent computational developments (Schalkwijk et al, MWR, 2015). The simulation is coupled to a regional weather model in order to provide an LES dataset that is representative of the daily weather of the year 2012 around Cabauw, the Netherlands. This location is chosen such that LES results can be compared with both the regional weather model and observations from the Cabauw observational supersite. The run was made possible by porting our Large-Eddy Simulation program to run completely on the GPU (Schalkwijk et al, BAMS, 2012). GPU adaptation allows us to reach much improved time-to-solution ratios (i.e. simulation speedup versus real time). As a result, one can perform runs with a much longer timespan than previously feasible. The dataset resulting from the LES run provides many avenues for further study. First, it can provide a more statistical approach to boundary-layer turbulence than the more common case-studies by simulating a diverse but representative set of situations, as well as the transition between situations. This has advantages in designing and evaluating parameterizations. In addition, we discuss the opportunities of high-resolution forecasts for the renewable energy sector, e.g. wind and solar energy production.

  15. Simulation of diurnal thermal energy storage systems: Preliminary results

    NASA Astrophysics Data System (ADS)

    Katipamula, S.; Somasundaram, S.; Williams, H. R.

    1994-12-01

    This report describes the results of a simulation of thermal energy storage (TES) integrated with a simple-cycle gas turbine cogeneration system. Integrating TES with cogeneration can serve the electrical and thermal loads independently while firing all fuel in the gas turbine. The detailed engineering and economic feasibility of diurnal TES systems integrated with cogeneration systems has been described in two previous PNL reports. The objective of this study was to lay the ground work for optimization of the TES system designs using a simulation tool called TRNSYS (TRaNsient SYstem Simulation). TRNSYS is a transient simulation program with a sequential-modular structure developed at the Solar Energy Laboratory, University of Wisconsin-Madison. The two TES systems selected for the base-case simulations were: (1) a one-tank storage model to represent the oil/rock TES system; and (2) a two-tank storage model to represent the molten nitrate salt TES system. Results of the study clearly indicate that an engineering optimization of the TES system using TRNSYS is possible. The one-tank stratified oil/rock storage model described here is a good starting point for parametric studies of a TES system. Further developments to the TRNSYS library of available models (economizer, evaporator, gas turbine, etc.) are recommended so that the phase-change processes is accurately treated.

  16. Structural, Physical, and Compositional Analysis of Lunar Simulants and Regolith

    NASA Technical Reports Server (NTRS)

    Greenberg, Paul; Street, Kenneth W.; Gaier, James

    2008-01-01

    Relative to the prior manned Apollo and unmanned robotic missions, planned Lunar initiatives are comparatively complex and longer in duration. Individual crew rotations are envisioned to span several months, and various surface systems must function in the Lunar environment for periods of years. As a consequence, an increased understanding of the surface environment is required to engineer and test the associated materials, components, and systems necessary to sustain human habitation and surface operations. The effort described here concerns the analysis of existing simulant materials, with application to Lunar return samples. The interplay between these analyses fulfills the objective of ascertaining the critical properties of regolith itself, and the parallel objective of developing suitable stimulant materials for a variety of engineering applications. Presented here are measurements of the basic physical attributes, i.e. particle size distributions and general shape factors. Also discussed are structural and chemical properties, as determined through a variety of techniques, such as optical microscopy, SEM and TEM microscopy, Mossbauer Spectroscopy, X-ray diffraction, Raman microspectroscopy, inductively coupled argon plasma emission spectroscopy and energy dispersive X-ray fluorescence mapping. A comparative description of currently available stimulant materials is discussed, with implications for more detailed analyses, as well as the requirements for continued refinement of methods for simulant production.

  17. Symmetry energy impact in simulations of core-collapse supernovae

    NASA Astrophysics Data System (ADS)

    Fischer, Tobias; Hempel, Matthias; Sagert, Irina; Suwa, Yudai; Schaffner-Bielich, Jürgen

    2014-02-01

    We present a review of a broad selection of nuclear matter equations of state (EOSs) applicable in core-collapse supernova studies. The large variety of nuclear matter properties, such as the symmetry energy, which are covered by these EOSs leads to distinct outcomes in supernova simulations. Many of the currently used EOS models can be ruled out by nuclear experiments, nuclear many-body calculations, and observations of neutron stars. In particular the two classical supernova EOS describe neutron matter poorly. Nevertheless, we explore their impact in supernova simulations since they are commonly used in astrophysics. They serve as extremely soft and stiff representative nuclear models. The corresponding supernova simulations represent two extreme cases, e.g., with respect to the protoneutron star (PNS) compactness and shock evolution. Moreover, in multi-dimensional supernova simulations EOS differences have a strong effect on the explosion dynamics. Because of the extreme behaviors of the classical supernova EOSs we also include DD2, a relativistic mean field EOS with density-dependent couplings, which is in satisfactory agreement with many current nuclear and observational constraints. This is the first time that DD2 is applied to supernova simulations and compared with the classical supernova EOS. We find that the overall behaviour of the latter EOS in supernova simulations lies in between the two extreme classical EOSs. As pointed out in previous studies, we confirm the impact of the symmetry energy on the electron fraction. Furthermore, we find that the symmetry energy becomes less important during the post-bounce evolution, where conversely the symmetric part of the EOS becomes increasingly dominating, which is related to the high temperatures obtained. Moreover, we study the possible impact of quark matter at high densities and light nuclear clusters at low and intermediate densities.

  18. Analysis of DOE s Roof Savings Calculator with Comparison to other Simulation Engines

    SciTech Connect

    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.

  19. Comparative visual analysis of 3D urban wind simulations

    NASA Astrophysics Data System (ADS)

    Röber, Niklas; Salim, Mohamed; Grawe, David; Leitl, Bernd; Böttinger, Michael; Schlünzen, Heinke

    2016-04-01

    Climate simulations are conducted in large quantity for a variety of different applications. Many of these simulations focus on global developments and study the Earth's climate system using a coupled atmosphere ocean model. Other simulations are performed on much smaller regional scales, to study very small fine grained climatic effects. These microscale climate simulations pose similar, yet also different, challenges for the visualization and the analysis of the simulation data. Modern interactive visualization and data analysis techniques are very powerful tools to assist the researcher in answering and communicating complex research questions. This presentation discusses comparative visualization for several different wind simulations, which were created using the microscale climate model MITRAS. The simulations differ in wind direction and speed, but are all centered on the same simulation domain: An area of Hamburg-Wilhelmsburg that hosted the IGA/IBA exhibition in 2013. The experiments contain a scenario case to analyze the effects of single buildings, as well as examine the impact of the Coriolis force within the simulation. The scenario case is additionally compared with real measurements from a wind tunnel experiment to ascertain the accuracy of the simulation and the model itself. We also compare different approaches for tree modeling and evaluate the stability of the model. In this presentation, we describe not only our workflow to efficiently and effectively visualize microscale climate simulation data using common 3D visualization and data analysis techniques, but also discuss how to compare variations of a simulation and how to highlight the subtle differences in between them. For the visualizations we use a range of different 3D tools that feature techniques for statistical data analysis, data selection, as well as linking and brushing.

  20. Geometric Modeling, Radiation Simulation, Rendering, Analysis Package

    Energy Science and Technology Software Center (ESTSC)

    1995-01-17

    RADIANCE is intended to aid lighting designers and architects by predicting the light levels and appearance of a space prior to construction. The package includes programs for modeling and translating scene geometry, luminaire data and material properties, all of which are needed as input to the simulation. The lighting simulation itself uses ray tracing techniques to compute radiance values (ie. the quantity of light passing through a specific point in a specific direction), which aremore » typically arranged to form a photographic quality image. The resulting image may be analyzed, displayed and manipulated within the package, and converted to other popular image file formats for export to other packages, facilitating the production of hard copy output.« less

  1. Status of the MIND simulation and analysis

    SciTech Connect

    Cervera Villanueva, A.; Martin-Albo, J.; Laing, A.; Soler, F. J. P.; Lindroos, L.

    2010-03-30

    A realistic simulation of the Neutrino Factory detectors is required in order to fully understand the sensitivity of such a facility to the remaining parameters and degeneracies of the neutrino mixing matrix. Here described is the status of a modular software framework being developed to accommodate such a study. The results of initial studies of the reconstruction software and expected efficiency curves in the context of the golden channel are given.

  2. Scripted Building Energy Modeling and Analysis (Presentation)

    SciTech Connect

    Macumber, D.

    2012-10-01

    Building energy analysis is often time-intensive, error-prone, and non-reproducible. Entire energy analyses can be scripted end-to-end using the OpenStudio Ruby API. Common tasks within an analysis can be automated using OpenStudio Measures. Graphical user interfaces (GUI's) and component libraries reduce time, decrease errors, and improve repeatability in energy modeling.

  3. Scenario simulation based assessment of subsurface energy storage

    NASA Astrophysics Data System (ADS)

    Beyer, C.; Bauer, S.; Dahmke, A.

    2014-12-01

    Energy production from renewable sources such as solar or wind power is characterized by temporally varying power supply. The politically intended transition towards renewable energies in Germany („Energiewende") hence requires the installation of energy storage technologies to compensate for the fluctuating production. In this context, subsurface energy storage represents a viable option due to large potential storage capacities and the wide prevalence of suited geological formations. Technologies for subsurface energy storage comprise cavern or deep porous media storage of synthetic hydrogen or methane from electrolysis and methanization, or compressed air, as well as heat storage in shallow or moderately deep porous formations. Pressure build-up, fluid displacement or temperature changes induced by such operations may affect local and regional groundwater flow, geomechanical behavior, groundwater geochemistry and microbiology. Moreover, subsurface energy storage may interact and possibly be in conflict with other "uses" like drinking water abstraction or ecological goods and functions. An utilization of the subsurface for energy storage therefore requires an adequate system and process understanding for the evaluation and assessment of possible impacts of specific storage operations on other types of subsurface use, the affected environment and protected entities. This contribution presents the framework of the ANGUS+ project, in which tools and methods are developed for these types of assessments. Synthetic but still realistic scenarios of geological energy storage are derived and parameterized for representative North German storage sites by data acquisition and evaluation, and experimental work. Coupled numerical hydraulic, thermal, mechanical and reactive transport (THMC) simulation tools are developed and applied to simulate the energy storage and subsurface usage scenarios, which are analyzed for an assessment and generalization of the imposed THMC

  4. SYSTEMATIC SENSITIVITY ANALYSIS OF AIR QUALITY SIMULATION MODELS

    EPA Science Inventory

    This report reviews and assesses systematic sensitivity and uncertainty analysis methods for applications to air quality simulation models. The discussion of the candidate methods presents their basic variables, mathematical foundations, user motivations and preferences, computer...

  5. Refined lateral energy correction functions for the KASCADE-Grande experiment based on Geant4 simulations

    NASA Astrophysics Data System (ADS)

    Gherghel-Lascu, A.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Fuchs, B.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.

    2015-02-01

    In previous studies of KASCADE-Grande data, a Monte Carlo simulation code based on the GEANT3 program has been developed to describe the energy deposited by EAS particles in the detector stations. In an attempt to decrease the simulation time and ensure compatibility with the geometry description in standard KASCADE-Grande analysis software, several structural elements have been neglected in the implementation of the Grande station geometry. To improve the agreement between experimental and simulated data, a more accurate simulation of the response of the KASCADE-Grande detector is necessary. A new simulation code has been developed based on the GEANT4 program, including a realistic geometry of the detector station with structural elements that have not been considered in previous studies. The new code is used to study the influence of a realistic detector geometry on the energy deposited in the Grande detector stations by particles from EAS events simulated by CORSIKA. Lateral Energy Correction Functions are determined and compared with previous results based on GEANT3.

  6. San Carlos Apache Tribe - Energy Organizational Analysis

    SciTech Connect

    Rapp, James; Albert, Steve

    2012-04-01

    The San Carlos Apache Tribe (SCAT) was awarded $164,000 in late-2011 by the U.S. Department of Energy (U.S. DOE) Tribal Energy Program's "First Steps Toward Developing Renewable Energy and Energy Efficiency on Tribal Lands" Grant Program. This grant funded:  The analysis and selection of preferred form(s) of tribal energy organization (this Energy Organization Analysis, hereinafter referred to as "EOA").  Start-up staffing and other costs associated with the Phase 1 SCAT energy organization.  An intern program.  Staff training.  Tribal outreach and workshops regarding the new organization and SCAT energy programs and projects, including two annual tribal energy summits (2011 and 2012). This report documents the analysis and selection of preferred form(s) of a tribal energy organization.

  7. Consistency analysis on laser signal in laser guided weapon simulation

    NASA Astrophysics Data System (ADS)

    Yin, Ruiguang; Zhang, Wenpan; Guo, Hao; Gan, Lin

    2015-10-01

    The hardware-in-the-loop simulation is widely used in laser semi-active guidance weapon experiments, the authenticity of the laser guidance signal is the key problem of reliability. In order to evaluate the consistency of the laser guidance signal, this paper analyzes the angle of sight, laser energy density, laser spot size, atmospheric back scattering, sun radiation and SNR by comparing the different working state between actual condition and hardware-in-the-loop simulation. Based on measured data, mathematical simulation and optical simulation result, laser guidance signal effects on laser seeker are determined. By using Monte Carlo method, the laser guided weapon trajectory and impact point distribution are obtained, the influence of the systematic error are analyzed. In conclusion it is pointed out that the difference between simulation system and actual system has little influence in normal guidance, has great effect on laser jamming. The research is helpful to design and evaluation of laser guided weapon simulation.

  8. Merging Energy Policy Decision Support, Education, and Communication: The 'World Energy' Simulation Role-Playing Game

    NASA Astrophysics Data System (ADS)

    Rooney-varga, J. N.; Franck, T.; Jones, A.; Sterman, J.; Sawin, E.

    2013-12-01

    To meet international goals for climate change mitigation and adaptation, as well as energy access and equity, there is an urgent need to explore and define energy policy paths forward. Despite this need, students, citizens, and decision-makers often hold deeply flawed mental models of the energy and climate systems. Here we describe a simulation role-playing game, World Energy, that provides an immersive learning experience in which participants can create their own path forward for global energy policy and learn about the impact of their policy choices on carbon dioxide emissions, temperature rise, energy supply mix, energy prices, and energy demand. The game puts players in the decision-making roles of advisors to the United Nations Sustainable Energy for All Initiative (drawn from international leaders from industry, governments, intergovernmental organizations, and citizens groups) and, using a state-of-the-art decision-support simulator, asks them to negotiate a plan for global energy policy. We use the En-ROADS (Energy Rapid Overview and Decision Support) simulator, which runs on a laptop computer in <0.1 sec. En-ROADS enables users to specify many factors, including R&D-driven cost reductions in fossil fuel-based, renewable, or carbon-neutral energy technologies; taxes and subsidies for different energy sources; performance standards and energy efficiency; emissions prices; policies to address other greenhouse gas emissions (e.g., methane, nitrous oxide, chlorofluorocarbons, etc.); and assumptions about GDP and population. In World Energy, participants must balance climate change mitigation goals with equity, prices and access to energy, and the political feasibility of policies. Initial results indicate participants gain insights into the dynamics of the energy and climate systems and greater understanding of the potential impacts policies.

  9. Modeling and simulation of a transcutaneous energy transmission system used in artificial organ implants.

    PubMed

    Fang, Wan; Liu, Wei; Qian, Jie; Tang, Houjun; Ye, Pengsheng

    2009-12-01

    We present a mathematical model to simulate transcutaneous energy transmission systems. Treating such systems as resonant power electronic converters, we develop the equivalent circuit equations, for which the circuit variables are then expanded as Fourier series and a multi-frequency averaging method was applied. Keeping terms up to first-order, the analysis produces a dynamic and harmonic model describing these energy transmission systems. With appropriate values for the circuit parameters, numerical results are compared with those of the exact time domain model. This comparison verifies that our model can adequately represent to first-order such energy-transmission systems. PMID:19958349

  10. Spacecraft Trajectory Analysis and Mission Planning Simulation (STAMPS) Software

    NASA Technical Reports Server (NTRS)

    Puckett, Nancy; Pettinger, Kris; Hallstrom,John; Brownfield, Dana; Blinn, Eric; Williams, Frank; Wiuff, Kelli; McCarty, Steve; Ramirez, Daniel; Lamotte, Nicole; Vu, Tuan

    2014-01-01

    STAMPS simulates either three- or six-degree-of-freedom cases for all spacecraft flight phases using translated HAL flight software or generic GN&C models. Single or multiple trajectories can be simulated for use in optimization and dispersion analysis. It includes math models for the vehicle and environment, and currently features a "C" version of shuttle onboard flight software. The STAMPS software is used for mission planning and analysis within ascent/descent, rendezvous, proximity operations, and navigation flight design areas.