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 PAGES

    Sharma, Ms. Ketki; Kim, Yong-Ha; Yiacoumi, Sotira; ...

    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. Analysis and Simulation of a Blue Energy Cycle

    SciTech Connect

    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. Neutron 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.

  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. Simulation and analysis chain for acoustic ultra-high energy neutrino detectors in water

    NASA Astrophysics Data System (ADS)

    Neff, M.; Anton, G.; Enzenhöfer, A.; Graf, K.; Hößl, J.; Katz, U.; Lahmann, R.; Sieger, C.

    2013-05-01

    Acoustic neutrino detection is a promising approach for large-scale ultra-high energy neutrino detectors in water. In this article, a Monte Carlo simulation chain for acoustic neutrino detection devices in water will be presented. The simulation chain covers the generation of the acoustic pulse produced by a neutrino interaction and its propagation to the sensors within the detector. Currently, ambient and transient noise models for the Mediterranean Sea and simulations of the data acquisition hardware, equivalent to the one used in ANTARES/AMADEUS, are implemented. A pre-selection scheme for neutrino-like signals based on matched filtering is employed, as it is used for on-line filtering. To simulate the whole processing chain for experimental data, signal classification and acoustic source reconstruction algorithms are integrated in an analysis chain. An overview of design and capabilities of the simulation and analysis chain will be presented and preliminary studies will be discussed.

  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. 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.

  10. 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.

  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. 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.

  13. 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

  14. Dark Energy simulations

    NASA Astrophysics Data System (ADS)

    Baldi, Marco

    2012-11-01

    Cosmology is presently facing the deep mystery of the origin of the observed accelerated expansion of the Universe. Be it a cosmological constant, a homogeneous scalar field, or a more complex inhomogeneous field possibly inducing effective modifications of the laws of gravity, such elusive physical entity is indicated with the general term of “Dark Energy”. The growing role played by numerical N-body simulations in cosmological studies as a fundamental connection between theoretical modeling and direct observations has led to impressive advancements also in the development and application of specific algorithms designed to probe a wide range of Dark Energy scenarios. Over the last decade, a large number of independent and complementary investigations have been carried out in the field of Dark Energy N-body simulations, starting from the simplest case of homogeneous Dark Energy models up to the recent development of highly sophisticated iterative solvers for a variety of Modified Gravity theories. In this review -which is meant to be complementary to the general Review by Kuhlen et al. (2012) [1] published in this Volume - I will discuss the range of scenarios for the cosmic acceleration that have been successfully investigated by means of dedicated N-body simulations, and I will provide a broad summary of the main results that have been obtained in this rather new research field. I will focus the discussion on a few selected studies that have led to particularly significant advancements in the field, and I will provide a comprehensive list of references for a larger number of related works. Due to the vastness of the topic, the discussion will not enter into the finest details of the different implementations and will mainly focus on the outcomes of the various simulations studies. Although quite recent, the field of Dark Energy simulations has witnessed huge developments in the last few years, and presently stands as a reliable approach to the investigation

  15. 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.

  16. 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

  17. Stochastic analysis and simulation of hydrometeorological processes for optimizing hybrid renewable energy systems

    NASA Astrophysics Data System (ADS)

    Tsekouras, Georgios; Ioannou, Christos; Efstratiadis, Andreas; Koutsoyiannis, Demetris

    2013-04-01

    The drawbacks of conventional energy sources including their negative environmental impacts emphasize the need to integrate renewable energy sources into energy balance. However, the renewable sources strongly depend on time varying and uncertain hydrometeorological processes, including wind speed, sunshine duration and solar radiation. To study the design and management of hybrid energy systems we investigate the stochastic properties of these natural processes, including possible long-term persistence. We use wind speed and sunshine duration time series retrieved from a European database of daily records and we estimate representative values of the Hurst coefficient for both variables. We conduct simultaneous generation of synthetic time series of wind speed and sunshine duration, on yearly, monthly and daily scale. To this we use the Castalia software system which performs multivariate stochastic simulation. Using these time series as input, we perform stochastic simulation of an autonomous hypothetical hybrid renewable energy system and optimize its performance using genetic algorithms. For the system design we optimize the sizing of the system in order to satisfy the energy demand with high reliability also minimizing the cost. While the simulation scale is the daily, a simple method allows utilizing the subdaily distribution of the produced wind power. Various scenarios are assumed in order to examine the influence of input parameters, such as the Hurst coefficient, and design parameters such as the photovoltaic panel angle.

  18. Using Process/CFD Co-Simulation for the Design and Analysis of Advanced Energy Systems

    SciTech Connect

    Zitney, S.E.

    2007-04-01

    In this presentation we describe the major features and capabilities of NETL’s Advanced Process Engineering Co-Simulator (APECS) and highlight its application to advanced energy systems, ranging from small fuel cell systems to commercial-scale power plants including the coal-fired, gasification-based electricity and hydrogen plant in the DOE’s $1 billion, 10-year FutureGen demonstration project. APECS is an integrated software suite which allows the process and energy industries to optimize overall plant performance with respect to complex thermal and fluid flow phenomena by combining process simulation (e.g., Aspen Plus®) with high-fidelity equipment simulations based on computational fluid dynamics (CFD) models (e.g., FLUENT®).

  19. 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.

  20. Contribution of energy values to the analysis of global searching molecular dynamics simulations of transmembrane helical bundles.

    PubMed Central

    Torres, Jaume; Briggs, John A G; Arkin, Isaiah T

    2002-01-01

    Molecular interactions between transmembrane alpha-helices can be explored using global searching molecular dynamics simulations (GSMDS), a method that produces a group of probable low energy structures. We have shown previously that the correct model in various homooligomers is always located at the bottom of one of various possible energy basins. Unfortunately, the correct model is not necessarily the one with the lowest energy according to the computational protocol, which has resulted in overlooking of this parameter in favor of experimental data. In an attempt to use energetic considerations in the aforementioned analysis, we used global searching molecular dynamics simulations on three homooligomers of different sizes, the structures of which are known. As expected, our results show that even when the conformational space searched includes the correct structure, taking together simulations using both left and right handedness, the correct model does not necessarily have the lowest energy. However, for the models derived from the simulation that uses the correct handedness, the lowest energy model is always at, or very close to, the correct orientation. We hypothesize that this should also be true when simulations are performed using homologous sequences, and consequently lowest energy models with the right handedness should produce a cluster around a certain orientation. In contrast, using the wrong handedness the lowest energy structures for each sequence should appear at many different orientations. The rationale behind this is that, although more than one energy basin may exist, basins that do not contain the correct model will shift or disappear because they will be destabilized by at least one conservative (i.e. silent) mutation, whereas the basin containing the correct model will remain. This not only allows one to point to the possible handedness of the bundle, but can be used to overcome ambiguities arising from the use of homologous sequences in the

  1. 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.

  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. 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

  4. 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.

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

    PubMed

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

    2005-10-15

    We present an n-fold way kinetic Monte Carlo simulation of the hopping motion of Li+ ions in polyethylene on a grid of mesh 0.36 A 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.

  6. An Energy-Environment Simulator.

    ERIC Educational Resources Information Center

    Dunlop, David L.

    1979-01-01

    The article describes a study of the effects of experience with an energy-environment simulator on the attitudes of its users. The study concludes that tools like the energy simulator appear to provide an important way to help educators take a leadership role in solving energy problems. (RE)

  7. An Energy-Environment Simulator.

    ERIC Educational Resources Information Center

    Dunlop, David L.

    1979-01-01

    The article describes a study of the effects of experience with an energy-environment simulator on the attitudes of its users. The study concludes that tools like the energy simulator appear to provide an important way to help educators take a leadership role in solving energy problems. (RE)

  8. Comparison of tropical cyclogenesis processes in climate model and cloud-resolving model simulations using moist static energy budget analysis

    NASA Astrophysics Data System (ADS)

    Wing, Allison; Camargo, Suzana; Sobel, Adam; Kim, Daehyun; Murakami, Hiroyuki; Reed, Kevin; Vecchi, Gabriel; Wehner, Michael; Zarzycki, Colin; Zhao, Ming

    2017-04-01

    In recent years, climate models have improved such that high-resolution simulations are able to reproduce the climatology of tropical cyclone activity with some fidelity and show some skill in seasonal forecasting. However biases remain in many models, motivating a better understanding of what factors control the representation of tropical cyclone activity in climate models. We explore the tropical cyclogenesis processes in five high-resolution climate models, including both coupled and uncoupled configurations. Our analysis framework focuses on how convection, moisture, clouds and related processes are coupled and employs budgets of column moist static energy and the spatial variance of column moist static energy. The latter was originally developed to study the mechanisms of tropical convective organization in idealized cloud-resolving models, and allows us to quantify the different feedback processes responsible for the amplification of moist static energy anomalies associated with the organization of convection and cyclogenesis. We track the formation and evolution of tropical cyclones in the climate model simulations and apply our analysis both along the individual tracks and composited over many tropical cyclones. We then compare the genesis processes; in particular, the role of cloud-radiation interactions, to those of spontaneous tropical cyclogenesis in idealized cloud-resolving model simulations.

  9. 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

  10. Molecular dynamics simulations of individual alpha-helices of bacteriorhodopsin in dimyristoylphosphatidylcholine. II. Interaction energy analysis.

    PubMed Central

    Woolf, T B

    1998-01-01

    The concepts of hydrophobicity and hydrophobic moments have been applied in attempts to predict membrane protein secondary and tertiary structure. The current paper uses molecular dynamics computer calculations of individual bacteriorhodopsin helices in explicit dimyristoylphosphatidylcholine bilayers to examine the atomic basis of these approaches. The results suggest that the types of interactions between a particular amino acid and the surrounding bilayer depend on the position and type of the amino acid. In particular, aromatic residues are seen to interact favorably at the interface region. Analysis of the trajectories in terms of hydrophobic moments suggests the presence of a particular face that prefers lipid. The results of these simulations may be used to improve secondary structure prediction methods and to provide further insights into the two-stage model of protein folding. PMID:9449316

  11. 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)

  12. 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)

  13. 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

  14. 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.

  15. Molecular dynamics simulation of tryptophan hydroxylase-1: binding modes and free energy analysis to phenylalanine derivative inhibitors.

    PubMed

    Zhong, Hao; Huang, Wei; He, Gu; Peng, Cheng; Wu, Fengbo; Ouyang, Liang

    2013-05-10

    Serotonin is a neurotransmitter that modulates many central and peripheral functions. Tryptophan hydroxylase-1 (TPH1) is a key enzyme of serotonin synthesis. In the current study, the interaction mechanism of phenylalanine derivative TPH1 inhibitors was investigated using molecular dynamics (MD) simulations, free energy calculations, free energy decomposition analysis and computational alanine scanning. The predicted binding free energies of these complexes are consistent with the experimental data. The analysis of the individual energy terms indicates that although the van der Waals and electrostatics interaction contributions are important in distinguishing the binding affinities of these inhibitors, the electrostatic contribution plays a more crucial role in that. Moreover, it is observed that different configurations of the naphthalene substituent could form different binding patterns with protein, yet lead to similar inhibitory potency. The combination of different molecular modeling techniques is an efficient way to interpret the interaction mechanism of inhibitors and our work could provide valuable information for the TPH1 inhibitor design in the future.

  16. Förster resonance energy transfer and trapping in selected systems: analysis by Monte-Carlo simulation.

    PubMed

    Bojarski, P; Synak, A; Kułak, L; Rangelowa-Jankowska, S; Kubicki, A; Grobelna, B

    2012-01-01

    Monte-Carlo simulation method is described and applied as an efficient tool to analyze experimental data in the presence of energy transfer in selected systems, where the use of analytical approaches is limited or even impossible. Several numerical and physical problems accompanying Monte-Carlo simulation are addressed. It is shown that the Monte-Carlo simulation enables to obtain orientation factor in partly ordered systems and other important energy transfer parameters unavailable directly from experiments. It is shown how Monte-Carlo simulation can predict some important features of energy transport like its directional character in ordered media.

  17. Monte Carlo simulation and analysis of proton energy-deposition patterns in the Bragg peak

    NASA Astrophysics Data System (ADS)

    González-Muñoz, Gloria; Tilly, Nina; Fernández-Varea, José M.; Ahnesjö, Anders

    2008-06-01

    The spatial pattern of energy depositions is crucial for understanding the mechanisms that modify the relative biological effectiveness of different radiation qualities. In this paper, we present data on energy-deposition properties of mono-energetic protons (1-20 MeV) and their secondary electrons in liquid water. Proton-impact ionization was described by means of the Hansen-Kocbach-Stolterfoht doubly differential cross section (DDCS), thus modelling both the initial energy and angle of the emitted electron. Excitation by proton impact was included to account for the contribution of this interaction channel to the electronic stopping power of the projectile. Proton transport was implemented assuming track-segment conditions, whereas electrons were followed down to 50 eV by the Monte Carlo code PENELOPE. Electron intra-track energy-deposition properties, such as slowing-down and energy-imparted spectra of electrons, were calculated. Furthermore, the use of DDCSs enabled the scoring of electron inter-track properties. We present novel results for 1, 5 and 20 MeV single-proton-track frequencies of distances between the nearest inter- (e--e-, e--H+) and intra-track (e--e-, e--H+, H+-H+) energy-deposition events. By setting a threshold energy of 17.5 eV, commonly employed as a surrogate to discriminate for elementary damage in the DNA, the variation in these frequencies was studied as well. The energy deposited directly by the proton represents a large amount of the total energy deposited along the track, but when an energy threshold is adopted the relative contribution of the secondary electrons becomes larger for increasing energy of the projectile. We found that the frequencies of closest energy-deposition events per nanometre decrease with proton energy, i.e. for lower proton energies a denser ionization occurs, following the trend of the characteristic LET curves. In conclusion, considering the energy depositions due to the delta electrons and at the core of the

  18. Monte Carlo simulation and analysis of proton energy-deposition patterns in the Bragg peak.

    PubMed

    González-Muñoz, Gloria; Tilly, Nina; Fernández-Varea, José M; Ahnesjö, Anders

    2008-06-07

    The spatial pattern of energy depositions is crucial for understanding the mechanisms that modify the relative biological effectiveness of different radiation qualities. In this paper, we present data on energy-deposition properties of mono-energetic protons (1-20 MeV) and their secondary electrons in liquid water. Proton-impact ionization was described by means of the Hansen-Kocbach-Stolterfoht doubly differential cross section (DDCS), thus modelling both the initial energy and angle of the emitted electron. Excitation by proton impact was included to account for the contribution of this interaction channel to the electronic stopping power of the projectile. Proton transport was implemented assuming track-segment conditions, whereas electrons were followed down to 50 eV by the Monte Carlo code PENELOPE. Electron intra-track energy-deposition properties, such as slowing-down and energy-imparted spectra of electrons, were calculated. Furthermore, the use of DDCSs enabled the scoring of electron inter-track properties. We present novel results for 1, 5 and 20 MeV single-proton-track frequencies of distances between the nearest inter- (e(-)-e(-), e(-)-H+) and intra-track (e(-)-e(-), e(-)-H+, H+-H+) energy-deposition events. By setting a threshold energy of 17.5 eV, commonly employed as a surrogate to discriminate for elementary damage in the DNA, the variation in these frequencies was studied as well. The energy deposited directly by the proton represents a large amount of the total energy deposited along the track, but when an energy threshold is adopted the relative contribution of the secondary electrons becomes larger for increasing energy of the projectile. We found that the frequencies of closest energy-deposition events per nanometre decrease with proton energy, i.e. for lower proton energies a denser ionization occurs, following the trend of the characteristic LET curves. In conclusion, considering the energy depositions due to the delta electrons and at the

  19. Building Energy Consumption Analysis

    SciTech Connect

    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, cooling and electricity (PLANT), and to compute the cost of energy and building operation based on utility rate schedule and economic parameters (ECONOMICS).

  20. Identification of potential CCR5 inhibitors through pharmacophore-based virtual screening, molecular dynamics simulation and binding free energy analysis.

    PubMed

    Wang, Juan; Shu, Mao; Wang, Yuanqiang; Hu, Yong; Wang, Yuanliang; Luo, Yanfeng; Lin, Zhihua

    2016-10-18

    CC chemokine receptor 5 (CCR5), a member of G protein-coupled receptors (GPCRs), plays a vital role in inflammatory responses to infection. Alterations in the expression of CCR5 have been correlated with disease progression in many types of cancers. The idea of using CCR5 as a target for therapeutic intervention has been demonstrated to prevent disease progression. To date, only a few compounds have been reported as CCR5 inhibitors. In this study, a series of CCR5 antagonists were used to construct pharmacophore models. Then the optimal model was utilized as a 3D query to identify novel chemical entities from structural databases. After refinement by molecular docking, drug-likeness analysis, molecular dynamics simulations (MDS) and binding free energy analysis, three potential inhibitors (25, 29 and 45) were identified. MD simulations suggested that the screened compounds retained the important common binding mode known for CCR5 inhibitors (maraviroc and nifeviroc), which occupied the bottom of a pocket and stabilized the conformation of CCR5. During the binding process, van der Waals interactions provided the substantial driving force. The most favorable contributions were from Tyr37, Trp86, Tyr89, Tyr108, Phe109, Phe112, Gln194, Thr195, Ile198, Trp248, Tyr251, Leu255, Thr259, Met279, Glu283 and Met287. The above results suggest that the hybrid strategy would provide a basis for rational drug design.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. Beading instability in soft cylindrical gels with capillary energy: Weakly non-linear analysis and numerical simulations

    NASA Astrophysics Data System (ADS)

    Taffetani, M.; Ciarletta, P.

    2015-08-01

    Soft cylindrical gels can develop a long-wavelength peristaltic pattern driven by a competition between surface tension and bulk elastic energy. In contrast to the Rayleigh-Plateau instability for viscous fluids, the macroscopic shape in soft solids evolves toward a stable beading, which strongly differs from the buckling arising in compressed elastic cylinders. This work proposes a novel theoretical and numerical approach for studying the onset and the non-linear development of the elasto-capillary beading in soft cylinders, made of neo-Hookean hyperelastic material with capillary energy at the free surface, subjected to axial stretch. Both a theoretical study, deriving the linear and the weakly non-linear stability analyses for the problem, and numerical simulations, investigating the fully non-linear evolution of the beaded morphology, are performed. The theoretical results prove that an axial elongation can not only favour the onset of beading, but also determine the nature of the elastic bifurcation. The fully non-linear phase diagrams of the beading are also derived from finite element numerical simulations, showing two peculiar morphological transitions when varying either the axial stretch or the material properties of the gel. Since the bifurcation is found to be subcritical for very slender cylinders, an imperfection sensitivity analysis is finally performed. In this case, it is shown that a surface sinusoidal imperfection can resonate with the corresponding marginally stable solution, thus selecting the emerging beading wavelength. In conclusion, the results of this study provide novel guidelines for controlling the beaded morphology in different experimental conditions, with important applications in micro-fabrication techniques, such as electrospun fibres.

  6. 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.

  7. Carbohydrate-protein recognition: molecular dynamics simulations and free energy analysis of oligosaccharide binding to concanavalin A.

    PubMed Central

    Bryce, R A; Hillier, I H; Naismith, J H

    2001-01-01

    Carbohydrate ligands are important mediators of biomolecular recognition. Microcalorimetry has found the complex-type N-linked glycan core pentasaccharide beta-GlcNAc-(1-->2)-alpha-Man-(1-->3)-[beta-GlcNAc-(1-->2)-alpha-Man-(1-->6)]-Man to bind to the lectin, Concanavalin A, with almost the same affinity as the trimannoside, Man-alpha-(1-->6)-[Man-alpha-(1-->3)]-Man. Recent determination of the structure of the pentasaccharide complex found a glycosidic linkage psi torsion angle to be distorted by 50 degrees from the NMR solution value and perturbation of some key mannose-protein interactions observed in the structures of the mono- and trimannoside complexes. To unravel the free energy contributions to binding and to determine the structural basis for this degeneracy, we present the results of a series of nanosecond molecular dynamics simulations, coupled to analysis via the recently developed MM-GB/SA approach (Srinivasan et al., J. Am. Chem. Soc. 1998, 120:9401-9409). These calculations indicate that the strength of key mannose-protein interactions at the monosaccharide site is preserved in both the oligosaccharides. Although distortion of the pentasaccharide is significant, the principal factor in reduced binding is incomplete offset of ligand and protein desolvation due to poorly matched polar interactions. This analysis implies that, although Concanavalin A tolerates the additional 6 arm GlcNAc present in the pentasaccharide, it does not serve as a key recognition determinant. PMID:11509352

  8. Building Energy Consumption Analysis

    SciTech Connect

    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, 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.

  9. 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.

  10. 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.

  11. Analysis of laser energy characteristics of laser guided weapons based on the hardware-in-the-loop simulation system

    NASA Astrophysics Data System (ADS)

    Zhu, Yawen; Cui, Xiaohong; Wang, Qianqian; Tong, Qiujie; Cui, Xutai; Li, Chenyu; Zhang, Le; Peng, Zhong

    2016-11-01

    The hardware-in-the-loop simulation system, which provides a precise, controllable and repeatable test conditions, is an important part of the development of the semi-active laser (SAL) guided weapons. In this paper, laser energy chain characteristics were studied, which provides a theoretical foundation for the SAL guidance technology and the hardware-in-the-loop simulation system. Firstly, a simplified equation was proposed to adjust the radar equation according to the principles of the hardware-in-the-loop simulation system. Secondly, a theoretical model and calculation method were given about the energy chain characteristics based on the hardware-in-the-loop simulation system. We then studied the reflection characteristics of target and the distance between the missile and target with major factors such as the weather factors. Finally, the accuracy of modeling was verified by experiment as the values measured experimentally generally follow the theoretical results from the model. And experimental results revealed that ratio of attenuation of the laser energy exhibited a non-linear change vs. pulse number, which were in accord with the actual condition.

  12. 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

  13. Large Eddy Simulations Analysis of the Energy Spectrum Without Mutual Friction in Superfluid 4 He: HVBK Model

    NASA Astrophysics Data System (ADS)

    Bakhtaoui, M.; Merahi, L.

    2017-01-01

    The reliability of the filtered on the Hall-Vinen-Bekarevich-Khalatnikov (HVBK) model without mutual friction force is now investigated via some large eddy simulations of freely decaying isotropic superfluid turbulence. The filtered HVBK model is solved using a fully pseudo-spectral method, which is an extension of the classical Rogallo's method to the two-fluid model. Furthermore, in this paper, we analyze the evolution of various terms constituting the HVBK momentum equations using the balance equation for the energy-spectrum function. Our results are presented in both cases with and without mutual friction force. LES predictions have shown that this mutual friction decreases the energy dissipation of the normal part and the energy transfer is more significant when this force is taken into account.

  14. 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.

  15. 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.

  16. 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.

  17. Water Quality Analysis Simulation

    EPA Pesticide Factsheets

    The Water Quality analysis simulation Program, an enhancement of the original WASP. This model helps users interpret and predict water quality responses to natural phenomena and man-made pollution for variious pollution management decisions.

  18. RunMC—an object-oriented analysis framework for Monte Carlo simulation of high-energy particle collisions

    NASA Astrophysics Data System (ADS)

    Chekanov, S.

    2005-12-01

    RunMC is an object-oriented framework aimed to generate and to analyse high-energy collisions of elementary particles using Monte Carlo simulations. This package, being based on C++ adopted by CERN as the main programming language for the LHC experiments, provides a common interface to different Monte Carlo models using modern physics libraries. Physics calculations (projects) can easily be loaded and saved as external modules. This simplifies the development of complicated calculations for high-energy physics in large collaborations. This desktop program is open-source licensed and is available on the LINUX and Windows/Cygwin platforms. Program summaryTitle of program: RunMC version 3.3 Catalogue identifier: ADWH Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADWH Program obtainable from:CPC Program Library, Queen's University of Belfast, N. Ireland Computer: x86, SGI, Sun Microsystems Operating system: Linux, Windows/Cygwin Memory required: 32 Mbytes No. of bits in a word: 32 No. of processors used: 1 Parallelized?: No No of lines in distributed program, including test data, etc.:≈1000000 No of bytes in distributed program, including test data, etc.: 22 464 383 Distribution format: tar.gz Typical running time: 0.004-0.01 s per event Programming language used: C/C++, Fortran, Java, bash Program requirements: g77, g++, make, X11, Java JRE1.4 and higher Nature of the physical problem: Simulation of high-energy collisions of elementary particles Method of solution: Monte Carlo method External libraries: CLHEP, ROOT, CERNLIB with PDFLIB References:http://hepforge.cedar.ac.uk/runmc/, http://www.hep.anl.gov/chakanau/runmc/

  19. Hierarchy of simulation models in predicting molecular recognition mechanisms from the binding energy landscapes: structural analysis of the peptide complexes with SH2 domains.

    PubMed

    Verkhivker, G M; Bouzida, D; Gehlhaar, D K; Rejto, P A; Schaffer, L; Arthurs, S; Colson, A B; Freer, S T; Larson, V; Luty, B A; Marrone, T; Rose, P W

    2001-12-01

    Computer simulations using the simplified energy function and simulated tempering dynamics have accurately determined the native structure of the pYVPML, SVLpYTAVQPNE, and SPGEpYVNIEF peptides in the complexes with SH2 domains. Structural and equilibrium aspects of the peptide binding with SH2 domains have been studied by generating temperature-dependent binding free energy landscapes. Once some native peptide-SH2 domain contacts are constrained, the underlying binding free energy profile has the funnel-like shape that leads to a rapid and consistent acquisition of the native structure. The dominant native topology of the peptide-SH2 domain complexes represents an extended peptide conformation with strong specific interactions in the phosphotyrosine pocket and hydrophobic interactions of the peptide residues C-terminal to the pTyr group. The topological features of the peptide-protein interface are primarily determined by the thermodynamically stable phosphotyrosyl group. A diversity of structurally different binding orientations has been observed for the amino-terminal residues to the phosphotyrosine. The dominant native topology for the peptide residues carboxy-terminal to the phosphotyrosine is tolerant to flexibility in this region of the peptide-SH2 domain interface observed in equilibrium simulations. The energy landscape analysis has revealed a broad, entropically favorable topology of the native binding mode for the bound peptides, which is robust to structural perturbations. This could provide an additional positive mechanism underlying tolerance of the SH2 domains to hydrophobic conservative substitutions in the peptide specificity region.

  20. 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.

  1. 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.

  2. The Jacobian factor in free energy simulations

    NASA Astrophysics Data System (ADS)

    Boresch, Stefan; Karplus, Martin

    1996-09-01

    The role of Jacobian factors in free energy simulations is described. They provide a simple interpretation of ``moment of inertia correction'' and ``dynamic stretch free energy'' terms in such simulations. Since the relevant Jacobian factors can often be evaluated analytically by use of the configurational partition function of a polyatomic molecule, it is possible to subtract them from the simulation results when they make unphysical contributions. An important case arises in alchemical simulations that use a single topology method and introduce dummy particles to have the same number of atoms in the initial and final state. The more general utility of the Jacobian factors for simulations of complex systems is briefly discussed.

  3. 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

  4. Structural and thermodynamic investigations on the aggregation and folding of acylphosphatase by molecular dynamics simulations and solvation free energy analysis.

    PubMed

    Chong, Song-Ho; Lee, Chewook; Kang, Guipeun; Park, Mirae; Ham, Sihyun

    2011-05-11

    Protein engineering method to study the mutation effects on muscle acylphosphatase (AcP) has been actively applied to describe kinetics and thermodynamics associated with AcP aggregation as well as folding processes. Despite the extensive mutation experiments, the molecular origin and the structural motifs for aggregation and folding kinetics as well as thermodynamics of AcP have not been rationalized at the atomic resolution. To this end, we have investigated the mutation effects on the structures and thermodynamics for the aggregation and folding of AcP by using the combination of fully atomistic, explicit-water molecular dynamics simulations, and three-dimensional reference interaction site model theory. The results indicate that the A30G mutant with the fastest experimental aggregation rate displays considerably decreased α1-helical contents as well as disrupted hydrophobic core compared to the wild-type AcP. Increased solvation free energy as well as hydrophobicity upon A30G mutation is achieved due to the dehydration of hydrophilic side chains in the disrupted α1-helix region of A30G. In contrast, the Y91Q mutant with the slowest aggregation rate shows a non-native H-bonding network spanning the mutation site to hydrophobic core and α1-helix region, which rigidifies the native state protein conformation with the enhanced α1-helicity. Furthermore, Y91Q exhibits decreased solvation free energy and hydrophobicity compared to wild type due to more exposed and solvated hydrophilic side chains in the α1-region. On the other hand, the experimentally observed slower folding rates in both mutants are accompanied by decreased helicity in α2-helix upon mutation. We here provide the atomic-level structures and thermodynamic quantities of AcP mutants and rationalize the structural origin for the changes that occur upon introduction of those mutations along the AcP aggregation and folding processes.

  5. Energy analysis of porous water ice under space-simulated conditions: results from the KOSI-8 experiment

    NASA Astrophysics Data System (ADS)

    Benkhoff, J.; Seidensticker, K. J.; Seiferlin, K.; Spohn, T.

    1995-02-01

    A sublimation experiment (KOSI-8) was performed on a pure, porous water ice sample under conditions of low pressure and temperature and insolation by an artificial sun. Temperatures within the sample, gas flux from the surface, mass loss of the sample during the experiment and the irradiation input were measured for a detailed analysis of energy flow. A main feature of the analysis was the development of a convex temperature profile along the middle axis of the sample as a consequence of heat transfer by water vapor flow. The amount of the energy transport by the water was about 40% of the total heat flux available for heating the sample. To interpret the unusually high temperatures measured a few millimeters below the surface, it is assumed that the radiative energy input penetrates about 3 mm into the sample (solid-state greenhouse effect). To trace the flow of water vapor during the experiment, the top 10 mm of the ice was enriched with 10% HDO. Ice samples for isotopic analyses were taken from the post-insolation surface and from various depths. Isotopic enrichment was observed only at the surface, corresponding to a 2.3% admixture of recondensed vapor from the initially 10-mm-thick surface layer, to a depth of 19 mm below the original surface. No isotopic enrichment could be detected below a crust that had formed, i.e. 57 mm below the original surface. During the experiment an average of about 16 mm of the ice eroded from the surface. The weight of the sample was continuously monitored and a total mass loss of 1.75 ± 0.05 kg was measured between start and end of insolation. A comparison of the power balance of a pure, porous ice sample and an ice/dust sample shows that in either case the net flux of energy available for sublimation and warming of the sample is less than 20% of the insolation. In the case of a pure ice sample, most of the irradiation is reflected due to the high albedo; in the case of an ice/dust sample, thermal reradiation of the sample is

  6. Febrifugine analogues as Leishmania donovani trypanothione reductase inhibitors: binding energy analysis assisted by molecular docking, ADMET and molecular dynamics simulation.

    PubMed

    Pandey, Rajan Kumar; Kumbhar, Bajarang Vasant; Srivastava, Shubham; Malik, Ruchi; Sundar, Shyam; Kunwar, Ambarish; Prajapati, Vijay Kumar

    2017-01-01

    Visceral leishmaniasis affects people from 70 countries worldwide, mostly from Indian, African and south American continent. The increasing resistance to antimonial, miltefosine and frequent toxicity of amphotericin B drives an urgent need to develop an antileishmanial drug with excellent efficacy and safety profile. In this study we have docked series of febrifugine analogues (n = 8813) against trypanothione reductase in three sequential docking modes. Extra precision docking resulted into 108 ligands showing better docking score as compared to two reference ligand. Furthermore, 108 febrifugine analogues and reference inhibitor clomipramine were subjected to ADMET, QikProp and molecular mechanics, the generalized born model and solvent accessibility study to ensure the toxicity caused by compounds and binding-free energy, respectively. Two best ligands (FFG7 and FFG2) qualifying above screening parameters were further subjected to molecular dynamics simulation. Conducting these studies, here we confirmed that 6-chloro-3-[3-(3-hydroxy-2-piperidyl)-2-oxo-propyl]-7-(4-pyridyl) quinazolin-4-one can be potential drug candidate to fight against Leishmania donovani parasites.

  7. Using system-of-systems simulation modeling and analysis to measure energy KPP impacts for brigade combat team missions.

    SciTech Connect

    Lawton, Craig R.; Welch, Kimberly M.; Kerper, Jessica

    2010-06-01

    The Department of Defense's (DoD) Energy Posture identified dependence of the US Military on fossil fuel energy as a key issue facing the military. Inefficient energy consumption leads to increased costs, effects operational performance and warfighter protection through large and vulnerable logistics support infrastructures. Military's use of energy is a critical national security problem. DoD's proposed metrics Fully Burdened Cost of Fuel and Energy Efficiency Key Performance Parameter (FBCF and Energy KPP) are a positive step to force energy use accountability onto Military programs. The ability to measure impacts of sustainment are required to fully measure Energy KPP. Sandia's work with Army demonstrates the capability to measure performance which includes energy constraint.

  8. 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)

  9. 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.

  10. 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.

  11. 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.

  12. Energy Policy: A Decision-Making Simulation.

    ERIC Educational Resources Information Center

    Curow, Fred C., Jr.

    1985-01-01

    This simulation can be used to help secondary students examine the national and global energy issue. Students role-play various groups, including the Departments of Energy and Transportation, the U.S. Automobile Manufacturer's Association, oil lobby groups, conservation groups, citizen groups, a solar lobbying organization, and a nuclear power…

  13. 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.

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

    DOE PAGES

    Ally, Moonis Raza; Munk, Jeffrey D.; Baxter, Van D.; ...

    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

  15. 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.

  16. Energy and cost analysis of a solar-hydrogen combined heat and power system for remote power supply using a computer simulation

    SciTech Connect

    Shabani, Bahman; Andrews, John; Watkins, Simon

    2010-01-15

    A simulation program, based on Visual Pascal, for sizing and techno-economic analysis of the performance of solar-hydrogen combined heat and power systems for remote applications is described. The accuracy of the submodels is checked by comparing the real performances of the system's components obtained from experimental measurements with model outputs. The use of the heat generated by the PEM fuel cell, and any unused excess hydrogen, is investigated for hot water production or space heating while the solar-hydrogen system is supplying electricity. A 5 kWh daily demand profile and the solar radiation profile of Melbourne have been used in a case study to investigate the typical techno-economic characteristics of the system to supply a remote household. The simulation shows that by harnessing both thermal load and excess hydrogen it is possible to increase the average yearly energy efficiency of the fuel cell in the solar-hydrogen system from just below 40% up to about 80% in both heat and power generation (based on the high heating value of hydrogen). The fuel cell in the system is conventionally sized to meet the peak of the demand profile. However, an economic optimisation analysis illustrates that installing a larger fuel cell could lead to up to a 15% reduction in the unit cost of the electricity to an average of just below 90 c/kWh over the assessment period of 30 years. Further, for an economically optimal size of the fuel cell, nearly a half the yearly energy demand for hot water of the remote household could be supplied by heat recovery from the fuel cell and utilising unused hydrogen in the exit stream. Such a system could then complement a conventional solar water heating system by providing the boosting energy (usually in the order of 40% of the total) normally obtained from gas or electricity. (author)

  17. Binding Analysis of Some Classical Acetylcholinesterase Inhibitors: Insights for a Rational Design Using Free Energy Perturbation Method Calculations with QM/MM MD Simulations.

    PubMed

    Nascimento, Érica C M; Oliva, Mónica; Świderek, Katarzyna; Martins, João B L; Andrés, Juan

    2017-04-24

    In the present study, the binding free energy of some classical inhibitors (DMT, DNP, GNT, HUP, THA) with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation (FEP) method based on hybrid quantum mechanics and molecular mechanics (QM/MM) potentials. The results highlight the key role of the van der Waals interaction for the inhibition process, since the contribution of this term to the binding free energy is almost as decisive as the electrostatic one. The analysis of the geometrical parameters and the interaction energy per residue along the QM/MM molecular dynamics (MD) simulations highlights the most relevant interactions in the different AChE-ligand systems, showing that the charged residues with a more prominent contribution to the interaction energy are Asp72 and Glu199, although the relative importance depends on the molecular size of the ligand. A correlation between the binding free energy and the number of cation-π interactions present in the systems has been established, DMT being the most potent inhibitor, capable of forming four cation-π interactions. A layer of water molecules surrounding the inhibitors has been observed, which act as bridges along a network formed by the ligands and the residues of the gorge and also between different residues. Although several hydrogen bonds between ligands and AChE do appear, no significant values of BIEs have been recorded. This behavior can be accounted for by the special features of AChE, such as the presence of several subsites of different natures in the gorge or the existence of several water molecules that act as bridges in the electrostatic interactions.

  18. 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.

  19. 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.

  20. 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

  1. Energies and 2'-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations.

    PubMed

    Mládek, Arnošt; Banáš, Pavel; Jurečka, Petr; Otyepka, Michal; Zgarbová, Marie; Šponer, Jiří

    2014-01-14

    Sugar-phosphate backbone is an electronically complex molecular segment imparting RNA molecules high flexibility and architectonic heterogeneity necessary for their biological functions. The structural variability of RNA molecules is amplified by the presence of the 2'-hydroxyl group, capable of forming multitude of intra- and intermolecular interactions. Bioinformatics studies based on X-ray structure database revealed that RNA backbone samples at least 46 substates known as rotameric families. The present study provides a comprehensive analysis of RNA backbone conformational preferences and 2'-hydroxyl group orientations. First, we create a benchmark database of estimated CCSD(T)/CBS relative energies of all rotameric families and test performance of dispersion-corrected DFT-D3 methods and molecular mechanics in vacuum and in continuum solvent. The performance of the DFT-D3 methods is in general quite satisfactory. The B-LYP-D3 method provides the best trade-off between accuracy and computational demands. B3-LYP-D3 slightly outperforms the new PW6B95-D3 and MPW1B95-D3 and is the second most accurate density functional of the study. The best agreement with CCSD(T)/CBS is provided by DSD-B-LYP-D3 double-hybrid functional, although its large-scale applications may be limited by high computational costs. Molecular mechanics does not reproduce the fine energy differences between the RNA backbone substates. We also demonstrate that the differences in the magnitude of the hyperconjugation effect do not correlate with the energy ranking of the backbone conformations. Further, we investigated the 2'-hydroxyl group orientation preferences. For all families, we conducted a QM and MM hydroxyl group rigid scan in gas phase and solvent. We then carried out set of explicit solvent MD simulations of folded RNAs and analyze 2'-hydroxyl group orientations of different backbone families in MD. The solvent energy profiles determined primarily by the sugar pucker match well with the

  2. 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.

  3. 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.

  4. Simulating evolution of technology: An aid to energy policy analysis. A case study of strategies to control greenhouse gases in Canada

    NASA Astrophysics Data System (ADS)

    Nyboer, John

    Issues related to the reduction of greenhouse gases are encumbered with uncertainties for decision makers. Unfortunately, conventional analytical tools generate widely divergent forecasts of the effects of actions designed to mitigate these emissions. "Bottom-up" models show the costs of reducing emissions attained through the penetration of efficient technologies to be low or negative. In contrast, more aggregate "top-down" models show costs of reduction to be high. The methodological approaches of the different models used to simulate energy consumption generate, in part, the divergence found in model outputs. To address this uncertainty and bring convergence, I use a technology-explicit model that simulates turnover of equipment stock as a function of detailed data on equipment costs and stock characteristics and of verified behavioural data related to equipment acquisition and retrofitting. Such detail can inform the decision maker of the effects of actions to reduce greenhouse gases due to changes in (1) technology stocks, (2) products or services, or (3) the mix of fuels used. This thesis involves two main components: (1) the development of a quantitative model to analyse energy demand and (2) the application of this tool to a policy issue, abatement of COsb2 emissions. The analysis covers all of Canada by sector (8 industrial subsectors, residential commercial) and region. An electricity supply model to provide local electricity prices supplemented the quantitative model. Forecasts of growth and structural change were provided by national macroeconomic models. Seven different simulations were applied to each sector in each region including a base case run and three runs simulating emissions charges of 75/tonne, 150/tonne and 225/tonne CO sb2. The analysis reveals that there is significant variation in the costs and quantity of emissions reduction by sector and region. Aggregated results show that Canada can meet both stabilisation targets (1990 levels of

  5. 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.

  6. Comparison of Building Loads Analysis and System Thermodynamics (BLAST) Computer Program Simulations and Measured Energy Use for Army Buildings.

    DTIC Science & Technology

    1981-08-01

    PERFORMING ORGANIZATION NAME AND ADDRESS 10. PROGRAM ELEMENT, PROJECT, TASK U. S.ARMYAREA & WORK UNIT NUMBERS If. CONTROLLING OFFICE NAME AND ADDRESS APR Af /1...ftIon Dat Entered) r• . FOREWORD This work was performed for the Directorate of Military Programs, Office of the Chief of Engineers (OCE), under Project...4A762731AT41,"Design, Con- struction, and Operation and Technology for Military Facilities" Technical Area G, "Military Energy Technology" Work

  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. 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.

  9. Effect of the R119G mutation on human P5CR structure and its interactions with NAD: Insights derived from molecular dynamics simulation and free energy analysis.

    PubMed

    Sang, Peng; Xie, Yue-Hui; Li, Lin-Hua; Ye, Yu-Jia; Hu, Wei; Wang, Jing; Wan, Wen; Li, Rui; Li, Long-Jun; Ma, Lin-Ling; Li, Zhi; Liu, Shu-Qun; Meng, Zhao-Hui

    2017-04-01

    Pyrroline-5-carboxylate reductase (P5CR), an enzyme with conserved housekeeping roles, is involved in the etiology of cutis laxa. While previous work has shown that the R119G point mutation in the P5CR protein is involved, the structural mechanism behind the pathology remains to be elucidated. In order to probe the role of the R119G mutation in cutis laxa, we performed molecular dynamics (MD) simulations, essential dynamics (ED) analysis, and Molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) binding free energy calculations on wild type (WT) and mutant P5CR-NAD complex. These MD simulations and ED analyses suggest that the R119G mutation decreases the flexibility of P5CR, specifically in the substrate binding pocket, which could decrease the kinetics of the cofactor entrance and egress. Furthermore, the MM-PBSA calculations suggest the R119G mutant has a lower cofactor binding affinity for NAD than WT. Our study provides insight into the possible role of the R119G mutation during interactions between P5CR and NAD, thus bettering our understanding of how the mutation promotes cutis laxa.

  10. THE Antarctic Atmospheric Energy Budget: Observations and Model Simulations

    NASA Astrophysics Data System (ADS)

    Previdi, M. J.; Smith, K. L.; Polvani, L. M.

    2014-12-01

    We present a new, observationally-based estimate of the atmospheric energy budget for the Antarctic polar cap (the region poleward of 70°S). This energy budget is constructed using state-of-the-art reanalysis products from ECMWF [the ECMWF Interim Re-Analysis (ERA-Interim)] and Clouds and the Earth's Radiant Energy System (CERES) top-of-atmosphere (TOA) radiative fluxes. We find that the climatological mean Antarctic energy budget is characterized by an approximate balance between the TOA net outgoing radiation and the horizontal convergence of atmospheric energy transport, with the net surface energy flux and atmospheric energy storage generally being small in comparison. We compare these observationally-based results with coupled atmosphere-ocean general circulation model simulations that have been made available as part of the Coupled Model Intercomparison Project, phase 5 (CMIP5). While CMIP5 models generally perform well in simulating the observed climatological mean energy budget, some notable model biases are apparent. These biases are most pronounced during the austral summer and fall seasons, with the largest biases (approaching 30 W m-2 for some models) occurring for the TOA net incoming shortwave radiation during summer. Finally, we examine the causes of model biases (e.g., deficiencies in the simulated cloud cover and sea ice), as well as their relationship to the simulated twenty-first century trends in the energy budget. We find a statistically significant inverse correlation across the CMIP5 models between the present-day biases in atmospheric energy transport into the polar cap, and the simulated future changes in energy transport over the twenty-first century. Possible reasons for this relationship are discussed.

  11. Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis

    PubMed Central

    Chen, Jianzhong; Wang, Jinan; Zhu, Weiliang

    2016-01-01

    More and more researchers are interested in and focused on how a limited repertoire of antibodies can bind and correspondingly protect against an almost limitless diversity of invading antigens. In this work, a series of 200-ns molecular dynamics (MD) simulations followed by principal component (PC) analysis and free energy calculations were performed to probe potential mechanism of conformational diversity of antibody SPE7. The results show that the motion direction of loops H3 and L3 is different relative to each other, implying that a big structural difference exists between these two loops. The calculated energy landscapes suggest that the changes in the backbone angles ψ and φ of H-Y101 and H-Y105 provide significant contributions to the conformational diversity of SPE7. The dihedral angle analyses based on MD trajectories show that the side-chain conformational changes of several key residues H-W33, H-Y105, L-Y34 and L-W93 around binding site of SPE7 play a key role in the conformational diversity of SPE7, which gives a reasonable explanation for potential mechanism of cross-reactivity of single antibody toward multiple antigens. PMID:27830740

  12. Molecular Mechanism and Energy Basis of Conformational Diversity of Antibody SPE7 Revealed by Molecular Dynamics Simulation and Principal Component Analysis

    NASA Astrophysics Data System (ADS)

    Chen, Jianzhong; Wang, Jinan; Zhu, Weiliang

    2016-11-01

    More and more researchers are interested in and focused on how a limited repertoire of antibodies can bind and correspondingly protect against an almost limitless diversity of invading antigens. In this work, a series of 200-ns molecular dynamics (MD) simulations followed by principal component (PC) analysis and free energy calculations were performed to probe potential mechanism of conformational diversity of antibody SPE7. The results show that the motion direction of loops H3 and L3 is different relative to each other, implying that a big structural difference exists between these two loops. The calculated energy landscapes suggest that the changes in the backbone angles ψ and φ of H-Y101 and H-Y105 provide significant contributions to the conformational diversity of SPE7. The dihedral angle analyses based on MD trajectories show that the side-chain conformational changes of several key residues H-W33, H-Y105, L-Y34 and L-W93 around binding site of SPE7 play a key role in the conformational diversity of SPE7, which gives a reasonable explanation for potential mechanism of cross-reactivity of single antibody toward multiple antigens.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. Dark Energy Studies with LSST Image Simulations, Final Report

    SciTech Connect

    Peterson, John Russell

    2016-07-26

    This grant funded the development and dissemination of the Photon Simulator (PhoSim) for the purpose of studying dark energy at high precision with the upcoming Large Synoptic Survey Telescope (LSST) astronomical survey. The work was in collaboration with the LSST Dark Energy Science Collaboration (DESC). Several detailed physics improvements were made in the optics, atmosphere, and sensor, a number of validation studies were performed, and a significant number of usability features were implemented. Future work in DESC will use PhoSim as the image simulation tool for data challenges used by the analysis groups.

  19. 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.

  20. 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.

  1. Simulation of Spheromak Evolution and Energy Confinement

    SciTech Connect

    Cohen, B; Hooper, E; Cohen, R; Hill, D; McLean, H; Wood, R; Woodruff, S; Sovinec, C; Cone, G

    2004-11-09

    Simulation results are presented that illustrate the formation and decay of a spheromak plasma driven by a coaxial electrostatic plasma gun, and that model the energy confinement of the plasma. The physics of magnetic reconnection during spheromak formation is also illuminated. The simulations are performed with the three-dimensional, time-dependent, resistive magnetohydrodynamic NIMROD code. The simulation results are compared to data from the SSPX spheromak experiment at the Lawrence Livermore National Laboratory. The simulation results are tracking the experiment with increasing fidelity (e.g., improved agreement with measurements of the magnetic field, fluctuation amplitudes, and electron temperature) as the simulation has been improved in its representations of the geometry of the experiment (plasma gun and flux conserver), the magnetic bias coils, and the detailed time dependence of the current source driving the plasma gun, and uses realistic parameters. The simulations are providing a better understanding of the dominant physics in SSPX, including when the flux surfaces close and the mechanisms limiting the efficiency of electrostatic drive.

  2. Simulation of Spheromak Evolution and Energy Confinement

    SciTech Connect

    Cohen, B; Hooper, E; Cohen, R; Hill, D; McLean, H; Wood, R; Woodruff, S

    2004-11-12

    Simulation results are presented that illustrate the formation and decay of a spheromak plasma driven by a coaxial electrostatic plasma gun, and that model the energy confinement of the plasma. The physics of magnetic reconnection during spheromak formation is also illuminated. The simulations are performed with the three-dimensional, time-dependent, resistive magnetohydrodynamic NIMROD code. The dimensional, simulation results are compared to data from the SSPX spheromak experiment at the Lawrence Livermore National Laboratory. The simulation results are tracking the experiment with increasing fidelity (e.g., improved agreement with measurements of the magnetic field, fluctuation amplitudes, and electron temperature) as the simulation has been improved in its representations of the geometry of the experiment (plasma gun and flux conserver), the magnetic bias coils, and the detailed time dependence of the current source driving the plasma gun, and uses realistic parameters. The simulations are providing a better understanding of the dominant physics in SSPX, including when the flux surfaces close and the mechanisms limiting the efficiency of electrostatic drive.

  3. 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.

  4. 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

  5. Towards a Net Zero Building Cluster Energy Systems Analysis for US Army Installations

    DTIC Science & Technology

    2011-05-01

    energy optimization process described to this point includes analysis of building energy efficiency improvements and optimization of energy generation... energy efficiency measures for each simulated building type. 3. Simulate the Energy Efficiency Cases – simulate the energy efficiency scenarios and...type identified in the building characterization step from the inventory. 2. Energy Efficiency Measures (EEM) – determine the appropriate building

  6. Mechanical Energy Budgets for Regional Numerical Simulations

    NASA Astrophysics Data System (ADS)

    MacCready, P.

    2016-02-01

    Kinetic Energy and Available Potential Energy (KE and APE) budgets are potentially a useful way to describe the function of fluid systems. However a difficulty of using energy is that it can be hard to form closed budgets. To address this, a method is presented for calculating nearly closed energy budgets using output from ROMS. We focus on a realistic simulation of a regional coastal-estuarine domain in the NE Pacific. Another difficulty for energy budgets in regional domains such as this is the treatment of fluxes through the open boundary. For the our domain we demonstrate that these fluxes can be handled in a reasonable way by using the definition of "local" APE from Holliday and McIntyre (1981). We are able to form meaningful volume-integrated budgets over specific sub-regions, such as the continental shelf and the Salish Sea estuary. The APE may be partitioned into that due to parcels which are displaced up or down from the flattened rest state. It is found that wind-driven upwelling has a clear seasonal cycle of up-APE. In contrast, the down-APE which dominates the estuarine system has little seasonal cycle. Dividing the size of the estuarine APE reservoir by the rate at which APE is lost to advection gives a timescale of 11 months, consistent with the small seasonal variation of APE.

  7. Multiscale Simulations of Energy Storage in Polymers

    NASA Astrophysics Data System (ADS)

    Ranjan, V.; van Duin, A.; Buongiorno Nardelli, M.; Bernholc, J.

    2012-02-01

    Polypropelene is the most used capacitor dielectric for high energy density storage. However, exotic materials such as copolymerized PVDF and, more recently, polythiourea, could potentially lead to an order of magnitude increase in the stored energy density [1,2]. In our previous investigations we demonstrated that PVDF-CTFE possesses non-linear dielectric properties under applied electric field. These are characterized by transitions from non-polar to polar phases that lead enhanced energy density. Recent experiments [3] have also suggested that polythiourea may be another potential system with high energy-density storage and low loss. However, the characteristics of this emerging material are not yet understood and even its preferred crystalline phases are not known. We have developed a multiscale approach to predicting polymer self-organization using the REAX force field and molecular dynamics simulations. We find that polythiourea chains tend to coalesce in nanoribbon-type structures and prefer an anti-polar interchain ordering similar to PVDF. These results suggest a possible role of topological phase transitions in shaping energy storage in this system.[4pt] [1] B. Chu et al, Science 313, 334 (2006).[0pt] [2] V. Ranjan et al., PRL 99, 047801 (2007).[0pt] [3] Q. Zhang, private communication

  8. 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.

  9. Simulating granular materials by energy minimization

    NASA Astrophysics Data System (ADS)

    Krijgsman, D.; Luding, S.

    2016-11-01

    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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Pyrotechnic Shock Analysis Using Statistical Energy Analysis

    DTIC Science & Technology

    2015-10-23

    29th Aerospace Testing Seminar, October 2015 Pyrotechnic Shock Analysis Using Statistical Energy Analysis James Ho-Jin Hwang Engineering...maximum structural response due to a pyrotechnic shock input using Statistical Energy Analysis (SEA). It had been previously understood that since the...pyrotechnic shock, shock response spectrum, Statistical Energy Analysis . SYMBOLS g = gravitational constant, 9.81 m/s2 gpk = temporal peak

  15. 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.

  16. 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.

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

    ERIC Educational Resources Information Center

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

    1981-01-01

    Energy-Environment Simulators, provided by the U.S. Department of Energy, can be used to help individuals experience the effects of unbridled energy consumption for the next century on a national or worldwide scale. The simulator described is a specially designed analog computer which models the real-world energy situation. (MP)

  18. 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)

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

    ERIC Educational Resources Information Center

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

    1981-01-01

    Energy-Environment Simulators, provided by the U.S. Department of Energy, can be used to help individuals experience the effects of unbridled energy consumption for the next century on a national or worldwide scale. The simulator described is a specially designed analog computer which models the real-world energy situation. (MP)

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. Numerical simulations and theoretical analysis of High Energy Density experiments at the next generation of ion beam facilities at Darmstadt: The HEDgeHOB collaboration

    NASA Astrophysics Data System (ADS)

    Tahir, N. A.; Shutov, A.; Lomonosov, I. V.; Piriz, A. R.; Wouchuk, G.; Deutsch, C.; Hoffmann, D. H. H.; Fortov, V. E.

    2006-06-01

    This paper presents detailed numerical simulations and theoretical analysis of different possible experimental schemes to study the thermophysical and transport properties of High Energy Density ( HED) matter generated by the interaction of intense heavy ion beams. The considered beam parameters are those which will be available at the future Facility for Antiprotons and Ion Research ( FAIR) at Darmstadt [W.F. Henneing, Nucl. Instrum. Methods, B214, (2004) 211]. This work has shown that an intense heavy ion beam can be used employing two very different configurations to study HED states in matter. In the first scheme, a sample material is uniformly and isochorically heated by the beam and the heated material is subsequently allowed to expand isentropically. Depending on the specific energy deposited in the material, one may access all the interesting physical states, including that of an expanded hot liquid ( EHL), two-phase liquid-gas ( 2PLG) region, critical point ( CP) parameters as well as strongly coupled plasma ( SCP) states during the expansion. This scheme is named HIHEX ( Heavy Ion Heating and EXpansion). We have considered a 1 GeV/u uranium beam with an intensity, N = 10 10-10 12 ions that are delivered in a single bunch, 50 ns long. The particle intensity distribution in the transverse direction is assumed to be Gaussian with a full width at half maximum (FWHM) in the range of 1-4 mm. We note that the estimated critical temperatures for many metals are very high which are very difficult to access using traditional techniques of shock compression of matter. Employing the proposed HIHEX scheme, one can easily achieve the required temperature by depositing corresponding specific energy in the sample. Solid as well as porous targets have been used in our study. In the second scheme, a sample material like frozen hydrogen that is enclosed in a cylindrical shell of a high- Z material like gold or lead, is imploded by the ion beam. This scheme is specially

  5. 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.

  6. Miscible Applied Simulation Techniques for Energy Recovery

    SciTech Connect

    Zeng, Zhengwen; Chang, Shih-Hsien; Grigg, Reid B.

    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 Chang 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.

  7. Numerical simulations of energy transfer in counter-streaming plasmas

    NASA Astrophysics Data System (ADS)

    Davis, S. P.; Capdessus, R.; d'Humières, E.; Jequier, S.; Andriyash, I.; Tikhonchuk, V.

    2013-03-01

    Collisionless shock formation is investigated with large scale fully electromagnetic two-dimensional Particle-in-Cell numerical simulations. Two plasmas are colliding in the center of mass reference frame at sub-relativistic velocities. Their interaction leads to collisionless stochastic electron heating, ion slowing down and formation of a shock front. We focus here on the initial stage of evolution where electron heating is due to the Weibel-like micro-instability driven by the high-speed ion flow. A two stage process is described in the detailed analysis of our simulation results. Filament generation, followed by turbulent mixing, constitute the dominant mechanism for energy repartition. The global properties are illustrated by examination of single filament evolution in terms of energy/particle density and fields.

  8. Energy analysis program, FY 1979

    NASA Astrophysics Data System (ADS)

    1980-04-01

    Energy analysis attempts to understand the volitional choices of energy use and supply available to human society, and the multi-faceted consequences of choosing any one of them. Topics deal with economic impacts; assessments of regional issues and impacts; air quality evaluation; institutional and political issues in California power plant siting; assessment of environmental standards; water issues; characterization of aquatic systems dissolved oxygen profiles; modeling; computer-generated interactive graphics; energy assessment in Hawaii; solar energy in communities; utilities solar financial data; population impacts of geothermal development; energy conservation in colleges and residential sectors; energy policy; decision making; building energy performance standards; standards for residential appliances; and impact of energy performance standards on demand for peak electrical energy.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. Energy cost and energy sources during a simulated firefighting activity.

    PubMed

    Perroni, Fabrizio; Tessitore, Antonio; Cortis, Cristina; Lupo, Corrado; D'artibale, Emanuele; Cignitti, Lamberto; Capranica, Laura

    2010-12-01

    This study aimed to 1) analyze the energy requirement (VO2eq) and the contribution of the aerobic (VO2ex), anaerobic alactic (VO2al), and anaerobic lactic (VO2la-) energy sources of a simulated intervention; 2) ascertain differences in mean VO2 and heart rate (HR) during firefighting tasks; and 3) verify the relationship between time of job completion and the fitness level of firefighters. Twenty Italian firefighters (age = 32 ± 6 yr, VO2peak = 43.1 ± 4.9 mL·kg·min) performed 4 consecutive tasks (i.e., child rescue; 250-m run; find an exit; 250-m run) that required a VO2eq of 406.26 ± 73.91 mL·kg (VO2ex = 86 ± 5%; VO2al = 9 ± 3%; VO2la- = 5 ± 3%). After 30 minutes, the recovery HR (108 ± 15 beats·min) and VO2 (8.86±2.67mL·kg·min) were higher (p < 0.0001) than basal values (HR = 66 ± 8 beats·min; VO2 = 4.57 ± 1.07 mL·kg·min), indicating that passive recovery is insufficient in reducing the cardiovascular and thermoregulatory strain of the previous workload. Differences (p < 0.001) between tasks emerged for mean VO2 and HR, with a lack of significant correlation between the time of job completion and the firefighters' aerobic fitness. These findings indicate that unpredictable working conditions highly challenge expert firefighters who need adequate fitness levels to meet the requirements of their work. Practically, to enhance the fitness level of firefighters, specific interval training programs should include a wide variety of tasks requiring different intensities and decision-making strategies.

  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. 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.

  16. 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

  17. 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.

  18. 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

  19. 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

  20. CALIBRATED ULTRA FAST IMAGE SIMULATIONS FOR THE DARK ENERGY SURVEY

    SciTech Connect

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

    2016-01-20

    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.

  1. Understanding the interactions of human follicle stimulating hormone with single-walled carbon nanotubes by molecular dynamics simulation and free energy analysis.

    PubMed

    Mahmoodi, Yasaman; Mehrnejad, Faramarz; Khalifeh, Khosrow

    2017-06-15

    Interactions of carbon nanotubes (CNTs) and blood proteins are of interest for nanotoxicology and nanomedicine. It is believed that the interactions of blood proteins and glycoproteins with CNTs may have important biological effects. In spite of many experimental studies of single-walled carbon nanotubes (SWCNT) and glycoproteins with different methods, little is known about the atomistic details of their association process or of structural alterations occurring in adsorbed glycoproteins. In this study, we have applied molecular dynamics simulation to investigate the interaction of follicle stimulating hormone (hFSH) with SWCNT. The aim of this work is to investigate possible mechanisms of nanotoxicity at a molecular level. We present details of the molecular dynamics, structure, and free energy of binding of hFSH on the surface of SWCNT. We find that hFSH in aqueous solution strongly adsorbs onto SWCNT via their concave surface as evidenced by high binding free energies for residues in both protein subunits. It was found that hydrophobic, π-cation, and π-π stacking interactions are the main driving forces for the adsorption of the protein at the nanotube surface.

  2. 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

  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. 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.

  5. Simulation with synergy and community energy.

    PubMed

    Cates, Leigh Ann; Armentrout, Debra

    2013-04-01

    Neonatal nurse practitioners (NNPs) have a crucial role in the management and care of critically ill newborns and infants in the neonatal intensive care unit. Their role responsibilities range from daily management of care, oversight of unit and bedside education, execution of advanced procedures, and attendance at high-risk deliveries. During their educational program, there is a mix of didactic and clinical training. To ensure that their graduates are able to competently care for neonatal patients in the ever-advancing neonatal world, the NNP program at the University of Texas Medical Branch-Galveston (UTMB), has implemented simulation-based training into every clinical course. This article describes the history of simulation in the NNP program at UTMB, discusses the current use of simulation at UTMB, explores the synergistic use of undergraduate students in simulations at UTMB, and details the use of professional volunteers from the local medical community to execute the simulations and debriefing process.

  6. 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.

  7. Monte Carlo simulations of the peptide recognition at the consensus binding site of the constant fragment of human immunoglobulin G: the energy landscape analysis of a hot spot at the intermolecular interface.

    PubMed

    Verkhivker, Gennady M; Bouzida, Djamal; Gehlhaar, Daniel K; Rejto, Paul A; Freer, Stephan T; Rose, Peter W

    2002-08-15

    Monte Carlo simulations of molecular recognition at the consensus binding site of the constant fragment (Fc) of human immunoglobulin G (Ig) protein have been performed to analyze structural and thermodynamic aspects of binding for the 13-residue cyclic peptide DCAWHLGELVWCT. The energy landscape analysis of a hot spot at the intermolecular interface using alanine scanning and equilibrium-simulated tempering dynamics with the simplified, knowledge-based energy function has enabled the role of the protein hot spot residues in providing the thermodynamic stability of the native structure to be determined. We have found that hydrophobic interactions between the peptide and the Met-252, Ile-253, His-433, and His-435 protein residues are critical to guarantee the thermodynamic stability of the crystallographic binding mode of the complex. Binding free energy calculations, using a molecular mechanics force field and a solvation energy model, combined with alanine scanning have been conducted to determine the energetic contribution of the protein hot spot residues in binding affinity. The conserved Asn-434, Ser-254, and Tyr-436 protein residues contribute significantly to the binding affinity of the peptide-protein complex, serving as an energetic hot spot at the intermolecular interface. The results suggest that evolutionary conserved hot spot protein residues at the intermolecular interface may be partitioned in fulfilling thermodynamic stability of the native binding mode and contributing to the binding affinity of the complex.

  8. Estimating Continental Energy Storage from CMIP5 Simulations

    NASA Astrophysics Data System (ADS)

    Cuesta-Valero, F. J.; García-García, A.; Smerdon, J. E.; Beltrami, H.

    2015-12-01

    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 energy stored in the continental subsurface is important because climate feedback processes such as thawing permafrost and soil carbon stability depend on the energy stored in the ground. We use 32 General Circulation Models (GCMs) from the Fifth Phase of the Coupled Model Intercomparison Project (CMIP5) to assess the ability of the current generation of GCMs to account for the energy storage in the continental subsurface. The estimated heat from the ground temperatures in each GCM indicates an underestimation of the simulated heat stored in the continental subsurface in comparison with estimations from borehole temperature profiles for the period 1950-2000. The CMIP5 GCMs present a broad spectrum of results with maximum values of 6×1021 J, while the borehole estimations range from 6×1021 J to 8×1021 J in the same spatial domain. Using a one-dimensional purely conductive model we asses the effect of the near-surface climate on the heat storage estimates of each GCM, as wellas expand the depth of the models to 500 m depth. The analysis of all results shows that the main cause of the underestimation of the stored energy in the subsurface by the CMIP5 GCMs may be due to the shallow depth of the land surface models and the nature of the bottom boundary condition that they apply. These underestimates of continental energy storage have important implications for the modelling of climatedependent near-surface processes.

  9. 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.

  10. 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.

  11. 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.; hide

    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.

  12. 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.

  13. Parallel calculations between the TC 4. 7 simplified energy calculation procedure and seven comprehensive hourly simulation energy calculation procedures

    SciTech Connect

    Kusuda, T

    1980-10-31

    The TC 4.7 simplified energy calculation method is a bin method used by the REAP procedure of the Carrier Corporation, except for the load estimating calculations. The simplified procedure was compared with hourly simulation procedures for an office building in Washington, DC. The comparison studied the extent as well as the reasons for agreement and discrepancies due to these two different types of annual energy analysis (bin method and hourly simulation methods). Results of the parallel calculations are discussed and the major reasons of discrepancies between the hourly simulation technique and the simplified TC 4.7 method are identified. Data resulting from the calculation methods are tabulated. (MCW)

  14. Energy savings analysis for energy monitoring and control systems

    NASA Astrophysics Data System (ADS)

    Flagg, Ken; Pierpoint, William

    1995-01-01

    The energy savings analysis report and software was developed to calculate savings when implementing typical energy conservation strategies. The analysis is based on ASHRAE Bin methods. Strategies include: scheduled start/stop, optimized start/stop, and temperature reset.

  15. Exergy Analysis and Operational Efficiency of a Horizontal Ground Source Heat Pump System Operated in a Low-Energy Test House under Simulated Occupancy Conditions

    SciTech Connect

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

    2012-01-01

    This paper presents data, analyses, measures of performance, and conclusions for a ground-source heat pump (GSHP) providing space conditioning to a 345m2 house whose envelope is made of structural insulated panels (SIP). The entire thermal load of this SIP house with RSI-3.7 (RUS-21) walls, triple pane windows with a U-factor of 1.64 W/m2 K (0.29 Btu/h ft2 oF) and solar heat gain coefficient (SHGC) of 0.25, a roof assembly with overall thermal resistance of about RSI-8.8 (RUS-50) and low leakage rates of 0.74 ACH at 50Pa was satisfied with a 2.16-Ton (7.56 kW) GSHP unit consuming negligible (9.83kWh) auxiliary heat during peak winter season. The highest and lowest heating COP achieved was 4.90 (October) and 3.44 (February), respectively. The highest and lowest cooling COP achieved was 6.09 (April) and 3.88 (August). These COPs are calculated on the basis of the total power input (including duct, ground loop, and control power losses ). The second Law (Exergy) analysis provides deep insight into how systemic inefficiencies are distributed among the various GSHP components. Opportunities for design and further performance improvements are identified. Through Exergy analysis we provide a true measure of how closely actual performance approaches the ideal, and it unequivocally identifies, better than energy analysis does, the sources and causes of lost work, the root cause of system inefficiencies.

  16. Kinetic energy of rainfall simulation nozzles

    USDA-ARS?s Scientific Manuscript database

    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...

  17. 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.

  18. 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.

  19. 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.

  20. Entropy in statistical energy analysis.

    PubMed

    Le Bot, Alain

    2009-03-01

    In this paper, the second principle of thermodynamics is discussed in the framework of statistical energy analysis (SEA). It is shown that the "vibrational entropy" and the "vibrational temperature" of sub-systems only depend on the vibrational energy and the number of resonant modes. A SEA system can be described as a thermodynamic system slightly out of equilibrium. In steady-state condition, the entropy exchanged with exterior by sources and dissipation exactly balances the production of entropy by irreversible processes at interface between SEA sub-systems.

  1. 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)

  2. Computational Simulation of High Energy Density Plasmas

    DTIC Science & Technology

    2009-10-30

    flow. NumerEx used MACH2 to simulate the flow using compressible, inviscid hydrodynamics with the SESAME equations of state . The depth of the...Figure 1 shows the liner state versus the radius of a collapsing 10 cm tall lithium liner driven by an RLC circuit model of Shiva Star. This work...the coaxial gun section, and Figure 4 shows the physical state of the plasma just prior to pinch. Figure 5 shows neutron yield reaching 1014 in this

  3. 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

  4. Simulation Toolkit for Renewable Energy Advanced Materials Modeling

    SciTech Connect

    Sides, Scott; Kemper, Travis; Larsen, Ross; Graf, Peter

    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.

  5. 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.

  6. Image simulation for electron energy loss spectroscopy

    DOE PAGES

    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

  7. 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.

  8. Simulation of Energy Savings in Automotive Coatings Processes

    NASA Astrophysics Data System (ADS)

    Gerini Romagnoli, Marco

    Recently, the automakers have become more and more aware of the environmental and economic impact of their manufacturing processes. The paint shop is the largest energy user in a vehicle manufacturing plant, and one way to reduce costs and energy usage is the optimization of this area. This project aims at providing a tool to model and simulate a paint shop, in order to run and analyze some scenarios and case studies, helping to take strategic decisions. Analytical computations and real data were merged to build a tool that can be used by FCA for their Sterling Heights plant. Convection and conduction heat losses were modeled for the dip processes and the ovens. Thermal balances were used to compute the consumptions of booths, decks and ovens, while pump and fan energy consumptions were modeled for each sub-process. The user acts on a calendar, scheduling a year of production, and the model predicts the energy consumption of the paint shop. Five scenarios were run to test different conditions and the influence of scheduling on the energy consumption. Two different sets of production schedules have been evaluated, the first one fulfilling the production requirement in one shift of 10 hours, at high rate, the second one using two 7-hour-long shifts at medium production rate. It was found that the unit cost was minimized in the warmest months of spring and fall, and system shutdown was a crucial factor to reduce energy consumption. A fifth hypothetical scenario was run, with a 4 month continuous production and an 8 month total shutdown, which reduced the energy consumption to a half of the best realistic scenario. When the plant was run in a two-shifts configuration, the cost to coat a vehicle was found to be 29 with weekend shutdown, and 39 without. In the one-shift configuration, the cost was slightly higher, but the difference was less than 5%. While the fifth scenario showed a consistent reduction of the unit cost, inventory and logistic expenses deriving from the

  9. 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.

  10. 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.

  11. High energy beam lifetime analysis

    SciTech Connect

    Howell, R.H.; Sterne, P.A.; Hartley, J.; Cowan, T.E.

    1997-05-01

    We have developed a positron lifetime defect analysis capability based on a 3 MeV electrostatic accelerator. The high energy beam lifetime spectrometer is operational with a 60 mCi {sup 22}Na source providing a current of 7 10{sup 5} positrons per second. Lifetime data are derived from a thin plastic transmission detector providing an implantation time and a BaF{sub 2} detector to determine the annihilation time. Positron lifetime analysis is performed with a 3 MeV positron beam on thick sample specimens at counting rates in excess of 2000 per second. The instrument is being used for bulk sample analysis and analysis of samples encapsulated in controlled environments for in situ measurements.

  12. Guidelines for the analysis of free energy calculations

    NASA Astrophysics Data System (ADS)

    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, http://arxiv.org/abs/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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. QM/MM free energy simulations: recent progress and challenges

    PubMed Central

    Lu, Xiya; Fang, Dong; Ito, Shingo; Okamoto, Yuko; Ovchinnikov, Victor

    2016-01-01

    Due to the higher computational cost relative to pure molecular mechanical (MM) simulations, hybrid quantum mechanical/molecular mechanical (QM/MM) free energy simulations particularly require a careful consideration of balancing computational cost and accuracy. Here we review several recent developments in free energy methods most relevant to QM/MM simulations and discuss several topics motivated by these developments using simple but informative examples that involve processes in water. For chemical reactions, we highlight the value of invoking enhanced sampling technique (e.g., replica-exchange) in umbrella sampling calculations and the value of including collective environmental variables (e.g., hydration level) in metadynamics simulations; we also illustrate the sensitivity of string calculations, especially free energy along the path, to various parameters in the computation. Alchemical free energy simulations with a specific thermodynamic cycle are used to probe the effect of including the first solvation shell into the QM region when computing solvation free energies. For cases where high-level QM/MM potential functions are needed, we analyze two different approaches: the QM/MM-MFEP method of Yang and co-workers and perturbative correction to low-level QM/MM free energy results. For the examples analyzed here, both approaches seem productive although care needs to be exercised when analyzing the perturbative corrections. PMID:27563170

  18. QM/MM free energy simulations: recent progress and challenges.

    PubMed

    Lu, Xiya; Fang, Dong; Ito, Shingo; Okamoto, Yuko; Ovchinnikov, Victor; Cui, Qiang

    Due to the higher computational cost relative to pure molecular mechanical (MM) simulations, hybrid quantum mechanical/molecular mechanical (QM/MM) free energy simulations particularly require a careful consideration of balancing computational cost and accuracy. Here we review several recent developments in free energy methods most relevant to QM/MM simulations and discuss several topics motivated by these developments using simple but informative examples that involve processes in water. For chemical reactions, we highlight the value of invoking enhanced sampling technique (e.g., replica-exchange) in umbrella sampling calculations and the value of including collective environmental variables (e.g., hydration level) in metadynamics simulations; we also illustrate the sensitivity of string calculations, especially free energy along the path, to various parameters in the computation. Alchemical free energy simulations with a specific thermodynamic cycle are used to probe the effect of including the first solvation shell into the QM region when computing solvation free energies. For cases where high-level QM/MM potential functions are needed, we analyze two different approaches: the QM/MM-MFEP method of Yang and co-workers and perturbative correction to low-level QM/MM free energy results. For the examples analyzed here, both approaches seem productive although care needs to be exercised when analyzing the perturbative corrections.

  19. Free energy analysis of cell spreading.

    PubMed

    McEvoy, Eóin; Deshpande, Vikram S; McGarry, Patrick

    2017-10-01

    In this study we present a steady-state adaptation of the thermodynamically motivated stress fiber (SF) model of Vigliotti et al. (2015). We implement this steady-state formulation in a non-local finite element setting where we also consider global conservation of the total number of cytoskeletal proteins within the cell, global conservation of the number of binding integrins on the cell membrane, and adhesion limiting ligand density on the substrate surface. We present a number of simulations of cell spreading in which we consider a limited subset of the possible deformed spread-states assumed by the cell in order to examine the hypothesis that free energy minimization drives the process of cell spreading. Simulations suggest that cell spreading can be viewed as a competition between (i) decreasing cytoskeletal free energy due to strain induced assembly of cytoskeletal proteins into contractile SFs, and (ii) increasing elastic free energy due to stretching of the mechanically passive components of the cell. The computed minimum free energy spread area is shown to be lower for a cell on a compliant substrate than on a rigid substrate. Furthermore, a low substrate ligand density is found to limit cell spreading. The predicted dependence of cell spread area on substrate stiffness and ligand density is in agreement with the experiments of Engler et al. (2003). We also simulate the experiments of Théry et al. (2006), whereby initially circular cells deform and adhere to "V-shaped" and "Y-shaped" ligand patches. Analysis of a number of different spread states reveals that deformed configurations with the lowest free energy exhibit a SF distribution that corresponds to experimental observations, i.e. a high concentration of highly aligned SFs occurs along free edges, with lower SF concentrations in the interior of the cell. In summary, the results of this study suggest that cell spreading is driven by free energy minimization based on a competition between decreasing

  20. Comprehensive energy analysis of a near zero energy home

    NASA Astrophysics Data System (ADS)

    Jannumahanthi, Madhuri

    Buildings consume nearly 40% of the entire energy used in the United States. To reduce the residential energy consumption, the Department of Energy (DOE) in partnership with Building America is evaluating various energy efficient technologies that might be integrated to produce a Zero Energy Home (ZEH). The research presented in this thesis focuses on evaluating the energy use of individual energy saving components and a near ZEH system in Salt Lake City, Utah. A state-of-the-art software tool, DesignBuilder, which employs an EnergyPlus simulation engine, was used to evaluate the performance of the prototype models. The major energy saving features in the house included photovoltaic thermal (PVT) panels; the hybrid solar panels that combine PV and solar thermal panel technology in a single entity; OASys, a new evaporative cooling unit that has a SEER 40+; structural insulated panels (SIPs); and a hydronic furnace. With real time data acquisition, the performance of the individual components and the near ZEH system was studied. PVT performs with nearly 20% greater efficiency than a conventional photovoltaic (PV) system. OASys reduces the cooling energy use by 60% in comparison with a regular vapor compression air conditioning system. Simulation results indicate 30% reduced energy use with SIPs. The hydronic furnace provides comfortable heating with 2% of the total heating energy as preheat to the water heater. The high efficiency water heater has a peak monthly efficiency of 83%. The actual data usage indicates that the energy efficient house has nearly 50% reduced energy use over a simulated model without the energy saving features and 60% fewer carbon dioxide emissions than a regular house.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Energy expenditure during competitive Latin American dancing simulation.

    PubMed

    Massidda, Myosotis; Cugusi, Lucia; Ibba, Maurizio; Tradori, Iosto; Calò, Carla Maria

    2011-12-01

    The aims of this study were to estimate the energy expenditure (EE) and the intensity of physical activity (PA) during a competitive simulation of Latin American dancing and to evaluate the differences in PA and EE values between the sexes, between different dance types, and between the various phases of the competition. Ten Italian dancers (five couples, 5 males and 5 females) competing in Latin American dancing at the international level were examined in this study. The EE (kcal) was measured during the semifinal and final phases of the competition using the SenseWear Pro Armband (SWA). Paired-sample t-tests were used to determine differences in the metabolic equivalent (MET) and EE values between the semifinal and final phases and between each dance. One-way analysis of variance was used to analyze the differences in the MET and EE values between the sexes. The intensity of PA during the dance sequence ranged from moderate (3 to 6 METs) to vigorous (6 to 9 METs). The male dancers had higher EE values than the female dancers during all phases of the simulation. Similar MET values were observed in both sexes. The PA intensity during the finals phase was vigorous for 56% of the time of dance. Of all the dance styles, the rumba had the lowest MET and EE values. Our results demonstrate that competitive Latin American dancing is a heavy exercise and suggest that monitoring variables during normal training can improve training protocols and the dancers' fitness levels.

  7. Simulations of directed energy comet deflection

    NASA Astrophysics Data System (ADS)

    Zhang, Qicheng; Lubin, Philip M.; Hughes, Gary B.

    2016-09-01

    Earth-crossing asteroids and comets pose a long-term hazard to life and property on Earth. Schemes to mitigate the impact threat have been studied extensively but tend to focus on asteroid diversion while neglecting the possibility of a comet threat. Such schemes often demand physically intercepting the target by spacecraft, a task feasible only for targets identified decades in advance in a restricted range of orbits. A threatening comet is unlikely to satisfy these criteria and so necessitates a fundamentally different approach for diversion. Comets are naturally perturbed from purely gravitational trajectories through solar heating of their surfaces which activates sublimation-driven jets. Artificial heating of a comet, such as by a high-powered laser array in Earth orbit, may supplement natural heating by the Sun to purposefully manipulate its path to avoid an impact. The effectiveness of any particular laser array for a given comet depends on the comet's heating response which varies dramatically depending on factors including nucleus size, orbit and dynamical history. These factors are incorporated into a numerical orbital model using established models of nongravitational perturbations to evaluate the effectiveness and feasibility of using high-powered laser arrays in Earth orbit or on the ground to deflect a variety of comets. Simulation results suggest that orbital arrays of 500m and 10GW operating for 10 min=d over 1 yr may be adequate for mitigating impacts by comets up to 500m in diameter. Continuously operating ground-based arrays of 100m and 10GW may be similarly effective when appropriately located.

  8. Water Quality Analysis Simulation Program (WASP)

    EPA Pesticide Factsheets

    The Water Quality Analysis Simulation Program (WASP7) model helps users interpret and predict water quality responses to natural phenomena and manmade pollution for various pollution management decisions.

  9. Hybrid Particle Code Simulations of Mars: The Energy Budget.

    NASA Astrophysics Data System (ADS)

    Brecht, S. H.; Ledvina, S. A.

    2015-12-01

    The results of our latest hybrid particle simulations using the HALFSHEL code are discussed. The presentation will address the energy budget of the solar wind interaction with Mars. The simulations produce loss rates that are very consistent with measured data, Brecht and Ledvina [2014], therefore inspection of the details of the interaction is now warranted. This paper will address the relationship between the energy flowing into the planet and the energy flowing away from the planet. The partition of the energy between fields, and individual ion species will be addressed as well as the amount of energy deposited in the neutral atmosphere by incoming solar wind plasma and during the process of ion loss caused by acceleration via electric fields. Brecht, S.H. and S.A. Ledvina (2014), "The role of the Martian crustal magnetic fields in controlling ionospheric loss," Geophys. Res. Lett., 41, 5340-5346, doi:10.1002/2014GL060841.

  10. Sustain: An experimental test bed for building energy simulation

    SciTech Connect

    Greenberg, Donald; Pratt, Kevin; Hencey, Brandon; Jones, Nathaniel; Schumann, Lars; Dobbs, Justin; Dong, Zhao; Bosworth, David; Walter, Bruce

    2013-03-01

    Current building energy simulation technology requires extensive labor, time and expertise to create building energy models, substantial computational time for accurate simulations, and generates data in formats that make results difficult to interpret. These deficiencies can be ameliorated using modern graphical user interfaces and algorithms which take advantage of modern computer architectures and display capabilities. This paper describes a novel test bed environment which offers an interactive graphical interface, provides access to simulation modules that run at accelerated computational speeds, and presents new graphic visualization methods for the interpretation of simulation results. Its modular structure makes it suitable for use in early stage building design, for use as a research platform for the investigation of new simulation methods, and for use as a tool for teaching concepts of sustainable design. Improvements in the accuracy and execution speed of many of the simulation modules are based on the modification of advanced computer graphics rendering algorithms. Significant performance improvements are illustrated in several computationally expensive energy simulation modules.

  11. 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.

  12. 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.

  13. Materials, Chemistry, and Simulation for Future Energy Technology.

    PubMed

    Aguey-Zinsou, Kondo-Francois; Wang, Da-Wei; Su, Dang-Sheng

    2015-09-07

    Special Issue: The Future of Energy. The science and engineering of clean energy now is becoming a multidisciplinary area, typically when new materials, chemistry, or mechanisms are met. "Trial and error" is the past. Exploration of new concepts for future clean energy can be accomplished through computer-aided materials design and reaction simulation, thanks to innovations in information technologies. This special issue, a fruit of the Energy Future Conference organized by UNSW Australia, has compiled some excellent examples of such approaches. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. 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.

  15. 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.

  16. Simulation of the Radiation Energy Release in Air Showers

    NASA Astrophysics Data System (ADS)

    Glaser, Christian; Erdmann, Martin; Hörandel, Jörg R.; Huege, Tim; Schulz, Johannes

    2017-03-01

    A simulation study of the energy released by extensive air showers in the form of MHz radiation is performed using the CoREAS simulation code. We develop an efficient method to extract this radiation energy from air-shower simulations. We determine the longitudinal profile of the radiation energy release and compare it to the longitudinal profile of the energy deposit by the electromagnetic component of the air shower. We find that the radiation energy corrected for the geometric dependence of the geomagnetic emission scales quadratically with the energy in the electromagnetic component of the air shower with a second order dependency on the atmospheric density at the position of the maximum of the shower development Xmax. In a measurement where Xmax is not accessible, this second order dependence can be approximated using the zenith angle of the incoming direction of the air shower with only a minor deterioration in accuracy. This method results in an intrinsic uncertainty of 4% with respect to the electromagnetic shower energy which is well below current experimental uncertainties.

  17. 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.

  18. Classical simulation of quantum energy flow in biomolecules.

    PubMed

    Stock, Gerhard

    2009-03-20

    Based on a comparison of classical and quantum-mechanical perturbation theory, the validity of classical nonequilibrium molecular dynamics simulations to describe vibrational energy redistribution in biomolecules is studied. Adopting a small model peptide in aqueous solution as an example, the theory correctly predicts quantum correction factors that need to be applied to the results of classical simulations in order to match the correct quantum results.

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

    DOE PAGES

    Yan, Xin -Hu; Ye, Yun -Xiu; Chen, Jian -Ping; ...

    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

  20. 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.

  1. Simulation of the POLAR-observed Geomagnetic Ion Energy Spectrometer

    NASA Astrophysics Data System (ADS)

    Zeng, W.; Horwitz, J. L.; Elliott, H. A.; Moore, T. E.

    2006-12-01

    Observations by polar-orbiting spacecraft of outward streaming ionospheric O+ ions in the polar cap magnetosphere often show decreasing field-aligned streaming energy with antisunward distance from their apparent dayside source, the Cleft Ion Fountain (CIF). In this paper we use the UT Arlington Dynamic Fluid-Kinetic (DyFK) ionospheric plasma transport model to simulate the transport of CIF generated ions along convecting magnetic flux tubes. We compare these simulations to observations by the Thermal Ion Dynamics Experiments (TIDE) on board the Polar spacecraft, for periods when the Polar orbit was aligned parallel to the noon-midnight direction. When the Polar spacecraft traversed from high altitudes on the dayside to lower altitudes on the nightside, the peak O+ streaming energy decreased from above 100 eV to below 5 eV. For the case in which the Polar satellite traveled from the nightside higher altitude to the dayside lower altitude, the O+ energy remained relatively stable, ranging between 20 eV and about 50 eV. Using the DyFK model, we simulate the ionospheric plasma transport and, in particular, the energy spectrometer effects under the geophysical circumstances of the observations, and compare the simulated and observed streaming energies. The results show that the simulated O+-streaming energy variations in the noon-midnight direction were in reasonable agreement with those of the Polar/TIDE observations, independent of whether Polar was moving sunward or antisunward, for realistic choices of geophysical parameters. The altitude and the distance to the CIF are the two primary O+ parameters influencing the O+ energy spectrometer variations, with the antisunward distance from the CIF being the principal controlling parameter.

  2. Descriptive Analysis of Simulated Bird Songs.

    ERIC Educational Resources Information Center

    Heckenlively, Donald B.

    1986-01-01

    Describes use of computer simulation which generates bird songs so that students can analyze song motifs and sequences as an introduction to descriptive analysis of behavior in an animal behavior course. Advantages of the simulation are discussed together with computer hardware/software needed and data presentation, analysis, and generation…

  3. Molecular dynamics algorithm enforcing energy conservation for microcanonical simulations.

    PubMed

    Salueña, Clara; Avalos, Josep Bonet

    2014-05-01

    A reversible algorithm [enforced energy conservation (EEC)] that enforces total energy conservation for microcanonical simulations is presented. The key point is the introduction of the discrete-gradient method to define the forces from the conservative potentials, instead of the direct use of the force field at the actual position of the particle. We have studied the performance and accuracy of the EEC in two cases, namely Lennard-Jones fluid and a simple electrolyte model. Truncated potentials that usually induce inaccuracies in energy conservation are used. In particular, the reaction field approach is used in the latter. The EEC is able to preserve energy conservation for a long time, and, in addition, it performs better than the Verlet algorithm for these kinds of simulations.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Towards Novel Energy Solutions - an Electronic/Atomistic Simulation Approach

    NASA Astrophysics Data System (ADS)

    Dong, Rui

    This thesis focuses on computer modeling and multi-scale simulations of new materials that can potentially be used in novel energy applications, i.e., the dye molecules in dye-sensitizedsolar- cells and polymers for the capacitive energy storage. The aim is to understand physical properties of existing materials and then to find ways to improve them. (Abstract shortened by ProQuest.).

  9. Simulations of solvation free energies and solubilities in supercritical solvents

    NASA Astrophysics Data System (ADS)

    Su, Zemin; Maroncelli, Mark

    2006-04-01

    Computer simulations are used to study solvation free energies and solubilities in supercritical solvents. Solvation free energies are calculated using the particle insertion method. The equilibrium solvent configurations required for these calculations are based on molecular dynamics simulations employing model solvent potentials previously tuned to reproduce liquid-vapor coexistence properties of the fluids Xe, C2H6, CO2, and CHF3. Solutes are represented by all-atom potentials based on ab initio calculations and the OPLS-AA parameter set. Without any tuning of the intermolecular potentials, such calculations are found to reproduce the solvation free energies of a variety of typical solid solutes with an average accuracy of ±2kJ /mol. Further calculations on simple model solutes are also used to explore general aspects of solvation free energies in supercritical solvents. Comparisons of solutes in Lennard-Jones and hard-sphere representations of Xe show that solvation free energies and thus solubilities are not significantly influenced by solvent density fluctuations near the critical point. The solvation enthalpy and entropy do couple to these fluctuations and diverge similarly to solute partial molar volumes. Solvation free energies are also found to be little affected by the local density augmentation characteristic of the compressible regime. In contrast to solute-solvent interaction energies, which often provide a direct measure of local solvent densities, solvation free energies are remarkably insensitive to the presence of local density augmentation.

  10. 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

  11. Energy conservation in molecular dynamics simulations of classical systems.

    PubMed

    Toxvaerd, Søren; Heilmann, Ole J; Dyre, Jeppe C

    2012-06-14

    Classical Newtonian dynamics is analytic and the energy of an isolated system is conserved. The energy of such a system, obtained by the discrete "Verlet" algorithm commonly used in molecular dynamics simulations, fluctuates but is conserved in the mean. This is explained by the existence of a "shadow Hamiltonian" H [S. Toxvaerd, Phys. Rev. E 50, 2271 (1994)], i.e., a Hamiltonian close to the original H with the property that the discrete positions of the Verlet algorithm for H lie on the analytic trajectories of H. The shadow Hamiltonian can be obtained from H by an asymptotic expansion in the time step length. Here we use the first non-trivial term in this expansion to obtain an improved estimate of the discrete values of the energy. The investigation is performed for a representative system with Lennard-Jones pair interactions. The simulations show that inclusion of this term reduces the standard deviation of the energy fluctuations by a factor of 100 for typical values of the time step length. Simulations further show that the energy is conserved for at least one hundred million time steps provided the potential and its first four derivatives are continuous at the cutoff. Finally, we show analytically as well as numerically that energy conservation is not sensitive to round-off errors.

  12. Energy Conservation for the Simulation of Deformable Bodies.

    PubMed

    Su, Jonathan; Sheth, Rahul; Fedkiw, Ronald

    2013-02-01

    We propose a novel technique that allows one to conserve energy using the time integration scheme of one's choice. Traditionally, the time integration methods that deal with energy conservation, such as symplectic, geometric, and variational integrators, have aimed to include damping in a manner independent of the size of the time step, stating that this gives more control over the look and feel of the simulation. Generally speaking, damping adds to the overall aesthetics and appeal of a numerical simulation, especially since it damps out the high frequency oscillations that occur on the level of the discretization mesh. We propose an alternative technique that allows one to use damping as a material parameter to obtain the desired look and feel of a numerical simulation, while still exactly conserving the total energy-in stark contrast to previous methods in which adding damping effects necessarily removes energy from the mesh. This allows, for example, a deformable bouncing ball with aesthetically pleasing damping (and even undergoing collision) to collide with the ground and return to its original height exactly conserving energy, as shown in Fig. 2. Furthermore, since our method works with any time integration scheme, the user can choose their favorite time integration method with regards to aesthetics and simply apply our method as a postprocess to conserve all or as much of the energy as desired.

  13. An Indoor-Outdoor Building Energy Simulator to Study Urban Modification effects on Building Energy Use

    NASA Astrophysics Data System (ADS)

    Yaghoobian, N.; Kleissl, J. P.

    2011-12-01

    While there have been significant advances in energy modeling of individual buildings, reviews of the literature highlight the need for improved understanding of how the interaction between buildings and their surroundings modifies the energy savings obtained through green engineering measures. IOBES (Indoor-Outdoor Building Energy Simulator) is a building-to-canopy model that simulates indoor and outdoor building surface temperatures and associated heat fluxes in an urban area to estimate cooling/heating loads and energy use in buildings. In this model the indoor and outdoor energy balance processes are dynamically coupled taking into account real weather conditions, indoor heat sources, building and urban material properties and composition of the building envelope (e.g. windows, insulation), and HVAC equipment. IOBES is also capable to simulate effects of the waste heat from air-conditioning systems on urban canopy air temperature. IOBES performance in simulating transient heat conduction is validated against an analytical solution of interior wall surface temperature response to a step change in outside air temperature. Also performance of IOBES in simulating cooling and heating loads for specific days validated against well-known models like CBS-MASS, BLAST, and TARP. In addition the annual cooling and heating load of other whole building energy simulators are compared to IOBES. An application of IOBES to study the impact of urban heat island mitigation measures such as reflective pavements is presented.

  14. Analysis of the Free Energy Landscapes for the Opening-Closing Dynamics of the Maltose Transporter ATPase MalK2 Using Enhanced-Sampling Molecular Dynamics Simulation.

    PubMed

    Hsu, Wei-Lin; Furuta, Tadaomi; Sakurai, Minoru

    2015-07-30

    Protein dynamics are considered significant for many physiological processes, such as metabolism, biomolecular recognition, and the regulation of several vital cellular processes. Due to their flexibility, proteins may stay in different substates with or without the existence of the cognate substrates. To describe these phenomena, two models have been proposed: the "induced fit" and the "conformational selection" mechanisms. In this study, we used MalK2, the subunits that mainly include the nucleotide-binding domains (NBDs) of the maltose transporter from Escherichia coli, as a target to understand the NBD dimerization mechanism. Accelerated and conventional molecular dynamics have been performed. The results revealed that Mg-ATP binding to MalK2 led to a significant change in the free energy profile and thus stabilized the closed conformation. On the contrary, when Mg-ATP was removed, the open conformation would be favored. The fact that ligand binding induces a drastic free energy change leads to a significant inference: MalK2 dimerization would occur through the induced-fit mechanism rather than the conformational selection mechanism. This study sheds new light on the NBD dimerization mechanism and would be of wide applicability to other ABC transporters.

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. EnergyPlus Weather Data for use with EnergyPlus Simulation Software

    DOE Data Explorer

    EnergyPlus is simulation software from DOE's Office of Energy Efficiency and Renewable Energy (EE) that models heating, cooling, lighting, ventilating, and other energy flows as well as water in buildings. Because the environment surrounding any building is an important component of the energy choices that go into the building's design and the energy performance of that building thereafter, weather data from all parts of the world are made available through the EnergyPlus web site. The data are collected from more than 2100 locations — 1042 locations in the USA, 71 locations in Canada, and more than 1000 locations in 100 other countries throughout the world. The weather data are arranged by World Meteorological Organization region and Country. In addition to using the weather data via the utility installed automatically with EnergyPlus software, users may view and download EnergyPlus weather data directly using a weather data layer for Google Earth.

  20. 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

  1. Hydration Free Energies of Molecular Ions from Theory and Simulation.

    PubMed

    Misin, Maksim; Fedorov, Maxim V; Palmer, David S

    2016-02-11

    We present a theoretical/computational framework for accurate calculation of hydration free energies of ionized molecular species. The method is based on a molecular theory, 3D-RISM, combined with a recently developed pressure correction (PC+). The 3D-RISM/PC+ model can provide ∼3 kcal/mol hydration free energy accuracy for a large variety of ionic compounds, provided that the Galvani potential of water is taken into account. The results are compared with direct atomistic simulations. Several methodological aspects of hydration free energy calculations for charged species are discussed.

  2. ELECTRON COOLING SIMULATIONS FOR LOW-ENERGY RHIC OPERATION.

    SciTech Connect

    FEDOTOV,A.V.; BEN-ZVI, I.; CHANG, X.; KAYRAN, D.; SATOGATA, T.

    2007-09-10

    Recently, a strong interest emerged in running the Relativistic Heavy Ion Collider (RHIC) at low beam total energies of 2.5-25 GeV/nucleon, substantially lower than the nominal beam total energy of 100 GeV/nucleon. Collisions in this low energy range are motivated by one of the key questions of quantum chromodynamics (QCD) about the existence and location of critical point on the QCD phase diagram. Applying electron cooling directly at these low energies in RHIC would result in significant luminosity increase and long beam stores for physics. Without direct cooling in RHIC at these low energies, beam lifetime and store times are very short, limited by strong transverse and longitudinal intrabeam scattering (IBS). In addition, for the lowest energies of the proposed energy scan, the longitudinal emittance of ions injected from the AGS into RHIC may be too big to fit into the RHIC RF bucket. An improvement in the longitudinal emittance of the ion beam can be provided by an electron cooling system at the AGS injection energy. Simulations of electron cooling both for direct cooling at low energies in RHIC and for injection energy cooling in the AGS were performed and are summarized in this report.

  3. 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.

  4. 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

  5. Energy flow analysis of coupled structures

    NASA Astrophysics Data System (ADS)

    Cho, Phillip Eung-Ho

    1993-01-01

    Energy flow analysis (EFA) is an analytical tool for prediction of the frequency-averaged vibrational response of built-up structures at high audible frequencies. The procedure is based on two developments; firstly, the derivation of the partial differential equations that govern the propagation of energy-related quantities in simple structural elements such as rods, beams, plates, and acoustic cavities; secondly, the derivation of coupling relationships in terms of energy-related quantities that describe the transfer of energy for various joints (e.g., beam-to-beam, plate-to-plate, and structure-to acoustic field couplings). In this investigation, EFA is used to predict the vibrational response of various coupled structures. In the process of predicting the vibrational response of the coupled structures, the energy flow coupling relationships at the joints of these structures are derived. In addition, the finite element formulation of the governing energy equations are developed. Because the energy density is discontinuous at the joint, a special global assembly procedure is developed to assemble the finite element matrix equations into global matrix equations. The global matrix assembly procedure is predicated on the development of joint element matrix equations using energy flow coupling relationships for various structural joints. The results predicted by EFA for a frame structure with a three-dimensional joint, where four wave types propagate in the structure, are shown to be a reasonable approximation of the frequency-averaged 'exact' energetics, which are computed from classical displacement solutions. The accuracy of the results predicted by EFA increased with high mode count and modal overlap factor or high non-dimensional wavenumber band and non-dimensional damped wavenumber band in the frequency band of interest. An experimental investigation of vibrational response of a light truck frame structure was performed to verify the results of EFA when applied

  6. Thermal dynamic simulation of wall for building energy efficiency under varied climate environment

    NASA Astrophysics Data System (ADS)

    Wang, Xuejin; Zhang, Yujin; Hong, Jing

    2017-08-01

    Aiming at different kind of walls in five cities of different zoning for thermal design, using thermal instantaneous response factors method, the author develops software to calculation air conditioning cooling load temperature, thermal response factors, and periodic response factors. On the basis of the data, the author gives the net work analysis about the influence of dynamic thermal of wall on air-conditioning load and thermal environment in building of different zoning for thermal design regional, and put forward the strategy how to design thermal insulation and heat preservation wall base on dynamic thermal characteristic of wall under different zoning for thermal design regional. And then provide the theory basis and the technical references for the further study on the heat preservation with the insulation are in the service of energy saving wall design. All-year thermal dynamic load simulating and energy consumption analysis for new energy-saving building is very important in building environment. This software will provide the referable scientific foundation for all-year new thermal dynamic load simulation, energy consumption analysis, building environment systems control, carrying through farther research on thermal particularity and general particularity evaluation for new energy -saving walls building. Based on which, we will not only expediently design system of building energy, but also analyze building energy consumption and carry through scientific energy management. The study will provide the referable scientific foundation for carrying through farther research on thermal particularity and general particularity evaluation for new energy saving walls building.

  7. Rise time of proton cut-off energy in 2D and 3D PIC simulations

    NASA Astrophysics Data System (ADS)

    Babaei, J.; Gizzi, L. A.; Londrillo, P.; Mirzanejad, S.; Rovelli, T.; Sinigardi, S.; Turchetti, G.

    2017-04-01

    The Target Normal Sheath Acceleration regime for proton acceleration by laser pulses is experimentally consolidated and fairly well understood. However, uncertainties remain in the analysis of particle-in-cell simulation results. The energy spectrum is exponential with a cut-off, but the maximum energy depends on the simulation time, following different laws in two and three dimensional (2D, 3D) PIC simulations so that the determination of an asymptotic value has some arbitrariness. We propose two empirical laws for the rise time of the cut-off energy in 2D and 3D PIC simulations, suggested by a model in which the proton acceleration is due to a surface charge distribution on the target rear side. The kinetic energy of the protons that we obtain follows two distinct laws, which appear to be nicely satisfied by PIC simulations, for a model target given by a uniform foil plus a contaminant layer that is hydrogen-rich. The laws depend on two parameters: the scaling time, at which the energy starts to rise, and the asymptotic cut-off energy. The values of the cut-off energy, obtained by fitting 2D and 3D simulations for the same target and laser pulse configuration, are comparable. This suggests that parametric scans can be performed with 2D simulations since 3D ones are computationally very expensive, delegating their role only to a correspondence check. In this paper, the simulations are carried out with the PIC code ALaDyn by changing the target thickness L and the incidence angle α, with a fixed a0 = 3. A monotonic dependence, on L for normal incidence and on α for fixed L, is found, as in the experimental results for high temporal contrast pulses.

  8. Asymptotic modal analysis and statistical energy analysis

    NASA Astrophysics Data System (ADS)

    Dowell, Earl H.

    1988-07-01

    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.

  9. 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.

  10. Protein Thermostability Calculations Using Alchemical Free Energy Simulations

    PubMed Central

    Seeliger, Daniel; de Groot, Bert L.

    2010-01-01

    Abstract 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

  11. 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.

  12. 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.

  13. Real single ion solvation free energies with quantum mechanical simulation

    DOE PAGES

    Duignan, Timothy TS; Baer, Marcel D.; Schenter, Gregory K.; ...

    2017-09-01

    Single ion solvation free energies are one of the most important properties of electrolyte solution and yet there is ongoing debate about what these values are. Experimental methods can only determine the values for neutral ion pairs. Here, we use DFT interaction potentials with molecular dynamics simulation (DFT-MD) combined with a modified version of the quasi chemical theory (QCT) to calculate these energies for the lithium and fluoride ions. A new method to rigorously correct for the error in the DFT functional is developed and very good agreement with the experimental value for the lithium fluoride pair is obtained. Moreover,more » this method partitions the energies into physically intuitive terms such as surface potential, cavity and charging energies which are amenable to descriptions with reduced models. Our research suggests that lithium’s solvation energy is dominated by the free energetics of a charged hard sphere, whereas fluoride exhibits significant quantum mechanical behavior that cannot be simply described with a reduced model. We would like to thank Thomas Beck, Shawn Kathmann and Sotiris Xantheas for helpful discussions. Computing resources were generously allocated by PNNLs Institutional Computing program. This research also used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. TTD, GKS and CJM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. MDB was supported by MS3 (Materials Synthesis and Simulation Across Scales) Initiative, a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for the U.S. Department of Energy.« less

  14. Real-Time Building Energy Simulation Using EnergyPlus and the Building Controls Test Bed

    SciTech Connect

    Pang, Xiufeng; Bhattachayra, Prajesh; O'Neill, Zheng; Haves, Philip; Wetter, Michael; Bailey, Trevor

    2011-11-01

    Most commercial buildings do not perform as well in practice as intended by the design and their performances often deteriorate over time. Reasons include faulty construction, malfunctioning equipment, incorrectly configured control systems and inappropriate operating procedures (Haves et al., 2001, Lee et al., 2007). To address this problem, the paper presents a simulation-based whole building performance monitoring tool that allows a comparison of building actual performance and expected performance in real time. The tool continuously acquires relevant building model input variables from existing Energy Management and Control System (EMCS). It then reports expected energy consumption as simulated of EnergyPlus. The Building Control Virtual Test Bed (BCVTB) is used as the software platform to provide data linkage between the EMCS, an EnergyPlus model, and a database. This paper describes the integrated real-time simulation environment. A proof-of-concept demonstration is also presented in the paper.

  15. Agent Based Simulation Output Analysis

    DTIC Science & Technology

    2011-12-01

    over long periods of time) not to have a steady state, but apparently does. These simulation models are available free from sigmawiki.com 2.1...are used in computer animations and movies (for example, in the movie Jurassic Park) as well as to look for emergent social behavior in groups

  16. Dynamics Analysis of Wind Energy Production Development

    NASA Astrophysics Data System (ADS)

    Berg, V. I.; Zakirzakov, A. G.; Gordievskaya, E. F.

    2017-01-01

    The paper presents the analysis of the introduction experience and dynamics development of the world wind energy production. Calculated the amount of wind energy sources investments and the production capacity growth dynamics of the wind turbines. The studies have shown that the introduction dynamics of new wind energy sources is higher than any other energy source.

  17. 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.

  18. 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

  19. 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.

  20. Efficient and Robust Optimization for Building Energy Simulation

    PubMed Central

    Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

    2016-01-01

    Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell’s Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell’s method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell’s Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell’s Hybrid method presently used in HVACSIM+. PMID:27325907

  1. Efficient and Robust Optimization for Building Energy Simulation.

    PubMed

    Pourarian, Shokouh; Kearsley, Anthony; Wen, Jin; Pertzborn, Amanda

    2016-06-15

    Efficiently, robustly and accurately solving large sets of structured, non-linear algebraic and differential equations is one of the most computationally expensive steps in the dynamic simulation of building energy systems. Here, the efficiency, robustness and accuracy of two commonly employed solution methods are compared. The comparison is conducted using the HVACSIM+ software package, a component based building system simulation tool. The HVACSIM+ software presently employs Powell's Hybrid method to solve systems of nonlinear algebraic equations that model the dynamics of energy states and interactions within buildings. It is shown here that the Powell's method does not always converge to a solution. Since a myriad of other numerical methods are available, the question arises as to which method is most appropriate for building energy simulation. This paper finds considerable computational benefits result from replacing the Powell's Hybrid method solver in HVACSIM+ with a solver more appropriate for the challenges particular to numerical simulations of buildings. Evidence is provided that a variant of the Levenberg-Marquardt solver has superior accuracy and robustness compared to the Powell's Hybrid method presently used in HVACSIM+.

  2. EnergyPlus Run Time Analysis

    SciTech Connect

    Hong, Tianzhen; Buhl, Fred; Haves, Philip

    2008-09-20

    EnergyPlus is a new generation building performance simulation program offering many new modeling capabilities and more accurate performance calculations integrating building components in sub-hourly time steps. However, EnergyPlus runs much slower than the current generation simulation programs. This has become a major barrier to its widespread adoption by the industry. This paper analyzed EnergyPlus run time from comprehensive perspectives to identify key issues and challenges of speeding up EnergyPlus: studying the historical trends of EnergyPlus run time based on the advancement of computers and code improvements to EnergyPlus, comparing EnergyPlus with DOE-2 to understand and quantify the run time differences, identifying key simulation settings and model features that have significant impacts on run time, and performing code profiling to identify which EnergyPlus subroutines consume the most amount of run time. This paper provides recommendations to improve EnergyPlus run time from the modeler?s perspective and adequate computing platforms. Suggestions of software code and architecture changes to improve EnergyPlus run time based on the code profiling results are also discussed.

  3. Holistic Nursing Simulation: A Concept Analysis.

    PubMed

    Cohen, Bonni S; Boni, Rebecca

    2016-11-28

    Simulation as a technology and holistic nursing care as a philosophy are two components within nursing programs that have merged during the process of knowledge and skill acquisition in the care of the patients as whole beings. Simulation provides opportunities to apply knowledge and skill through the use of simulators, standardized patients, and virtual settings. Concerns with simulation have been raised regarding the integration of the nursing process and recognizing the totality of the human being. Though simulation is useful as a technology, the nursing profession places importance on patient care, drawing on knowledge, theories, and expertise to administer patient care. There is a need to promptly and comprehensively define the concept of holistic nursing simulation to provide consistency and a basis for quality application within nursing curricula. This concept analysis uses Walker and Avant's approach to define holistic nursing simulation by defining antecedents, consequences, and empirical referents. The concept of holism and the practice of holistic nursing incorporated into simulation require an analysis of the concept of holistic nursing simulation by developing a language and model to provide direction for educators in design and development of holistic nursing simulation.

  4. Analysis of Ring Wake Simulations

    NASA Astrophysics Data System (ADS)

    Lewis, M. C.; Stewart, G. R.

    1999-09-01

    indent=20pt Collisional N-body simulations at the edge of a perturbed planetary ring are used to model the edges of the Encke gap in Saturn's rings. A small satellite, Pan, orbits inside the Encke gap and excites forced eccentricities and density wakes on both edges of the gap. The simulations use a local cell method to model a narrow ring using particles of the appropriate size for the A-ring at the proper optical depth. In the simulations we see evidence for shear reversal at the wake peaks. Our results imply that the most significant factor in the damping of the wakes is the reduction of the forced eccentricity and not randomization of the phase angles of the particles. The reduction of the forced eccentricity occurs in an orderly fashion with steep drops at each successive wake maximum following the highest density wake peak. indent=20pt At the inner edge (that nearer the perturber) we see phase shifts visible as bending of the line wake maxima. Because the simulations are actually of narrow rings, we also see a number of interesting phenomena at the outer edge. A strong boundary layer forms at that edge, which becomes partially detached from the rest of the ring. The wake patterns persist much further downstream in this boundary layer than they do in the rest of the ring. We also observe that in the less dense region between the main section of the ring and the boundary layer the magnitude of the forced eccentricities reverse their behavior in the main part and increase at each wake maxima. indent=20pt At the talk we will compare our results to the various analytic theories of Borderies, Goldreich, and Tremaine.

  5. Differential thermal analysis of lunar soil simulant

    NASA Technical Reports Server (NTRS)

    Tucker, D.; Setzer, A.

    1991-01-01

    Differential thermal analysis of a lunar soil simulant, 'Minnesota Lunar Simulant-1' (MLS-1) was performed. The MLS-1 was tested in as-received form (in glass form) and with another silica. The silica addition was seen to depress nucleation events which lead to a better glass former.

  6. 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.

  7. 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.

  8. Space radiator simulation system analysis

    NASA Technical Reports Server (NTRS)

    Black, W. Z.; Wulff, W.

    1972-01-01

    A transient heat transfer analysis was carried out on a space radiator heat rejection system exposed to an arbitrarily prescribed combination of aerodynamic heating, solar, albedo, and planetary radiation. A rigorous analysis was carried out for the radiation panel and tubes lying in one plane and an approximate analysis was used to extend the rigorous analysis to the case of a curved panel. The analysis permits the consideration of both gaseous and liquid coolant fluids, including liquid metals, under prescribed, time dependent inlet conditions. The analysis provided a method for predicting: (1) transient and steady-state, two dimensional temperature profiles, (2) local and total heat rejection rates, (3) coolant flow pressure in the flow channel, and (4) total system weight and protection layer thickness.

  9. 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.

  10. Crash Simulation and Nonlinear Structural Analysis

    NASA Technical Reports Server (NTRS)

    Kamat, M. P.

    1984-01-01

    Behavior of structures composed of trusses, frames and membranes modeled. Crash simulation analysis useful in developing understanding of multifaceted relationship between complex structural configuration, such as aircraft, and response during crash. CDC version written in FORTRAN IV.

  11. Development of EnergyPlus Utility to Batch Simulate Building Energy Performance on a National Scale

    SciTech Connect

    Valencia, Jayson F.; Dirks, James A.

    2008-08-29

    EnergyPlus is a simulation program that requires a large number of details to fully define and model a building. Hundreds or even thousands of lines in a text file are needed to run the EnergyPlus simulation depending on the size of the building. To manually create these files is a time consuming process that would not be practical when trying to create input files for thousands of buildings needed to simulate national building energy performance. To streamline the process needed to create the input files for EnergyPlus, two methods were created to work in conjunction with the National Renewable Energy Laboratory (NREL) Preprocessor; this reduced the hundreds of inputs needed to define a building in EnergyPlus to a small set of high-level parameters. The first method uses Java routines to perform all of the preprocessing on a Windows machine while the second method carries out all of the preprocessing on the Linux cluster by using an in-house built utility called Generalized Parametrics (GPARM). A comma delimited (CSV) input file is created to define the high-level parameters for any number of buildings. Each method then takes this CSV file and uses the data entered for each parameter to populate an extensible markup language (XML) file used by the NREL Preprocessor to automatically prepare EnergyPlus input data files (idf) using automatic building routines and macro templates. Using a Linux utility called “make”, the idf files can then be automatically run through the Linux cluster and the desired data from each building can be aggregated into one table to be analyzed. Creating a large number of EnergyPlus input files results in the ability to batch simulate building energy performance and scale the result to national energy consumption estimates.

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

    NASA Technical Reports Server (NTRS)

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

    1975-01-01

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

  13. Simulating energy flow in biomolecules: application to tuna cytochrome c.

    PubMed Central

    Wang, Q; Wong, C F; Rabitz, H

    1998-01-01

    By constructing a continuity equation of energy flow, one can utilize results from a molecular dynamics simulation to calculate the energy flux or flow in different parts of a biomolecule. Such calculations can yield useful insights into the pathways of energy flow in biomolecules. The method was first tested on a small system of a cluster of 13 argon atoms and then applied to the study of the pathways of energy flow after a tuna ferrocytochrome c molecule was oxidized. Initially, energy propagated faster along the direction perpendicular to the heme plane. This was due to an efficient through-bond mechanism, because the heme iron in cytochrome c was covalently bonded to a cysteine and a histidine. For the oxidation of cytochrome c, electrostatic interactions also facilitated a long-range through-space mechanism of energy flow. As a result, polar or charged groups that were further away from the oxidation site could receive energy earlier than nonpolar groups closer to the site. Another bridging mechanism facilitating efficient long-range responses to cytochrome c oxidation involved the coupling of far-off atoms with atoms that were nearer to, and interacted directly with, the oxidation site. The different characteristics of these energy transfer mechanisms defied a simple correlation between the time that the excess energy of the oxidation site first dissipated to an atom and the distance of the atom from the oxidation site. For tuna cytochrome c, all of the atoms of the protein had sensed the effects of the oxidation within approximately 40 fs. For the length scale of energy transfer considered in this study, the speed of the energy propagation in the protein was on the order of 10(5) m/s. PMID:9649368

  14. 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.

  15. 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.

  16. Energy flux simulation in heterogeneous cropland - a two year study

    NASA Astrophysics Data System (ADS)

    Klein, Christian; Thieme, Christoph; Biernath, Christian; Heinlein, Florian; Priesack, Eckart

    2016-04-01

    Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere [Stainforth et al. 2005]. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial heterogeneity of soil and land use types are high, e.g. in Central Europe. The relevance of vegetation (e.g. crops), ground cover, and soil properties to the moisture and energy exchanges between the land surface and the atmosphere is well known [McPherson 2007], but the impact of vegetation growth dynamics on energy fluxes is only partly understood [Gayler et al. 2014]. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N [Biernath et al. 2013] . The aim of this study was to analyze the impact of the characteristics of five managed field plots, planted with winter wheat, potato and maize on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N to an analytical footprint model [Mauder & Foken 2011] . The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). The approach accounts for the temporarily and spatially

  17. Computer Simulation of a Traveling-Wave Direct Energy Converter

    NASA Astrophysics Data System (ADS)

    Katayama, Hideaki; Sato, Kunihiro; Miyawaki, Fujio

    Beam-circuit code is presented to simulate a Traveling-Wave Direct Energy Converter (TWDEC), which recovers the energy of fusion protons escaping from a FRC/D3He fusion reactor. A transmission line loop for propagation of the electrostatic traveling wave is designed using lumped constant elements L.C.R. Electrostatic coupling between proton beam and circuits is treated by directly solving Poisson’s equation. Circuit equations are transformed to temporal finite-difference equations, which are solved following the leap-flog scheme. Simulation results display desirable performance characteristics. Traveling wave with a fixed frequency is excited spontaneously without any external power supply. The wave is kept its equilibrium state under loading, and the wave is stable to variation of the load.

  18. 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.

  19. Simulation based energy-resource efficient manufacturing integrated with in-process virtual management

    NASA Astrophysics Data System (ADS)

    Katchasuwanmanee, Kanet; Cheng, Kai; Bateman, Richard

    2016-09-01

    As energy efficiency is one of the key essentials towards sustainability, the development of an energy-resource efficient manufacturing system is among the great challenges facing the current industry. Meanwhile, the availability of advanced technological innovation has created more complex manufacturing systems that involve a large variety of processes and machines serving different functions. To extend the limited knowledge on energy-efficient scheduling, the research presented in this paper attempts to model the production schedule at an operation process by considering the balance of energy consumption reduction in production, production work flow (productivity) and quality. An innovative systematic approach to manufacturing energy-resource efficiency is proposed with the virtual simulation as a predictive modelling enabler, which provides real-time manufacturing monitoring, virtual displays and decision-makings and consequentially an analytical and multidimensional correlation analysis on interdependent relationships among energy consumption, work flow and quality errors. The regression analysis results demonstrate positive relationships between the work flow and quality errors and the work flow and energy consumption. When production scheduling is controlled through optimization of work flow, quality errors and overall energy consumption, the energy-resource efficiency can be achieved in the production. Together, this proposed multidimensional modelling and analysis approach provides optimal conditions for the production scheduling at the manufacturing system by taking account of production quality, energy consumption and resource efficiency, which can lead to the key competitive advantages and sustainability of the system operations in the industry.

  20. The Simulation of a Passive Solar Energy System.

    DTIC Science & Technology

    1982-12-01

    Simulation Program ( TRNSYS ), (Ref 2), and DOE2 (Ref 3) have been developed recently. These large, complex programs calculate heat flow rates for both active...programs do have drawbacks, however. While versatile, they are large. The 1974 version of TRNSYS consists of almost 5000 FORTRAN statements. Later...Scientific Labora- tory foTrU.S. Department of Energy, January 1980. 2. Engineering Experiment Station Report No. 38-10. TRNSYS Manual. University of

  1. Simulating and validating coastal gradients in wind energy resources

    NASA Astrophysics Data System (ADS)

    Hahmann, Andrea; Floors, Rogier; Karagali, Ioanna; Vasiljevic, Nikola; Lea, Guillaume; Simon, Elliot; Courtney, Michael; Badger, Merete; Peña, Alfredo; Hasager, Charlotte

    2016-04-01

    The experimental campaign of the RUNE (Reducing Uncertainty of Near-shore wind resource Estimates) project took place on the western coast of Denmark during the winter 2015-2016. The campaign used onshore scanning lidar technology combined with ocean and satellite information and produced a unique dataset to study the transition in boundary layer dynamics across the coastal zone. The RUNE project aims at reducing the uncertainty of near-shore wind resource estimates produced by mesoscale modeling. With this in mind, simulations using the Weather Research and Forecasting (WRF) model were performed to identify the sensitivity in the coastal gradients of wind energy resources to various model parameters and model inputs. Among these: model horizontal grid spacing and the planetary boundary layer and surface-layer scheme. We report on the differences amongst these simulations and preliminary results on the comparison of the model simulations with the RUNE observations of lidar and satellite measurements and near coastal tall mast.

  2. The simulation of a passive solar energy system

    NASA Astrophysics Data System (ADS)

    Slate, M. P.

    1982-12-01

    A simple lumped capacitance-resistance model is used to simulate heat flow in a residential size structure heated passively by the sun. The model takes the form of an analogous electrical circuit. A computer program was written to analyse the circuit. By altering the input parameters of the program, the thermal performance of a wide variety of passive solar designs can be investigated for any geographical location. By comparing program generated data to data taken from experimental test cells in Los Alamos, New Mexico, it was found that the simulation program predicted energy use to within 4 percent of measured values. Also, the computer program predicted temperature swings to within 16 percent of measured swings. Correlation with empirical methods of calculating monthly and annual savings in fuel use for heating was poor. Using the simulation calculations as a base, the predictions of annual savings differed by as much as 76 percent.

  3. Energy levels scheme simulation of divalent cobalt doped bismuth germanate

    SciTech Connect

    Andreici, Emiliana-Laura; Petkova, Petya; Avram, Nicolae M.

    2015-12-07

    The aim of this paper is to simulate the energy levels scheme for Bismuth Germanate (BGO) doped with divalent cobalt, in order to give a reliable explanation for spectral experimental data. In the semiempirical crystal field theory we first modeled the Crystal Field Parameters (CFPs) of BGO:Cr{sup 2+} system, in the frame of Exchange Charge Model (ECM), with actually site symmetry of the impurity ions after doping. The values of CFPs depend on the geometry of doped host matrix and by parameter G of ECM. First, we optimized the geometry of undoped BGO host matrix and afterwards, that of doped BGO with divalent cobalt. The charges effect of ligands and covalence bonding between cobalt cations and oxygen anions, in the cluster approach, also were taken into account. With the obtained values of the CFPs we simulate the energy levels scheme of cobalt ions, by diagonalizing the matrix of the doped crystal Hamiltonian. Obviously, energy levels and estimated Racah parameters B and C were compared with the experimental spectroscopic data and discussed. Comparison of obtained results with experimental data shows quite satisfactory, which justify the model and simulation schemes used for the title system.

  4. EXPANDING THE CAPABILITIES OF DOE'S ENERGYPLUS BUILDING ENERGY SIMULATION PROGRAM

    SciTech Connect

    Don B. Shirey, III; Richard A. Raustad

    2004-04-01

    EnergyPlus{trademark} is a new generation analysis tool that is being 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 will also support evaluation and decision making of zero energy building (ZEB) energy efficiency and supply technologies during new building design and existing building retrofits. Version 1.0 of EnergyPlus was released in April 2001, followed by six updated versions over the ensuing three-year period. This report summarizes work performed by the University of Central Florida's Florida Solar Energy Center (UCF/FSEC) to expand the capabilities of EnergyPlus. The project tasks involved implementing, testing, and documenting the following new features: (1) A model for energy recovery ventilation equipment that transfers both sensible (temperature) and latent (moisture) energy between building exhaust air and incoming outdoor ventilation air; (2) A model to account for the degradation of cooling coil dehumidification performance at part-load conditions; (3) A model for cooling coils augmented with air-to-air heat exchangers for improved dehumidification; and (4) A heat transfer coefficient calculator and automatic sizing algorithms for the existing EnergyPlus cooling tower model. UCF/FSEC located existing mathematical models for these features and incorporated them into EnergyPlus. The software models were written using Fortran-90 and were integrated within EnergyPlus in accordance with the EnergyPlus Programming Standard and Module Developer's Guide. Each model/feature was thoroughly tested and identified errors were repaired. Upon completion of each model implementation, the existing EnergyPlus documentation (Input Output Reference and Engineering Document) was updated with information describing the new model/feature.

  5. 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.

  6. Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis

    NASA Astrophysics Data System (ADS)

    Zúñiga, Matías A.; Alderete, Joel B.; Jaña, Gonzalo A.; Jiménez, Verónica A.

    2017-07-01

    Peloruside A (PLA) and Laulimalide (LAU) are novel microtubule-stabilizing agents with promising properties against different cancer types. These ligands share a non-taxoid binding site at the outer surface of β-tubulin and promote microtubule stabilization by bridging two adjacent αβ-tubulin dimers from parallel protofilaments. Recent site-directed mutagenesis experiments confirmed the existence of a unique β-tubulin site mutation (Gln293Met) that specifically increased the activity of PLA and caused resistance to LAU, without affecting the stability of microtubules in the absence of the ligands. In this work, fully atomistic molecular dynamics simulations were carried out to examine the PLA and LAU association with native and mutated αβ-tubulin in the search for structural and energetic evidence to explain the role of Gln293Met mutation on determining the activity of these ligands. Our results revealed that Gln293Met mutation induced the loss of relevant LAU-tubulin contacts but exerted negligible changes in the interaction networks responsible for PLA-tubulin association. Binding free energy calculations (MM/GBSA and MM/PBSA), and weak interaction analysis (aNCI) predicted an increased affinity for PLA, and a weakened association for LAU after mutation, thus suggesting that Gln293Met mutation exerts its action by a modulation of drug-tubulin interactions. These results are valuable to increase understanding about PLA and LAU activity and to assist the future design of novel agents targeting the PLA/LAU binding pocket.

  7. Energy dynamics in a simulation of LAPD turbulence

    SciTech Connect

    Friedman, B.; Carter, T. A.; Schaffner, D.; Umansky, M. V.; Dudson, B.

    2012-10-15

    Energy dynamics calculations in a 3D fluid simulation of drift wave turbulence in the linear Large Plasma Device [W. Gekelman et al., Rev. Sci. Instrum. 62, 2875 (1991)] illuminate processes that drive and dissipate the turbulence. These calculations reveal that a nonlinear instability dominates the injection of energy into the turbulence by overtaking the linear drift wave instability that dominates when fluctuations about the equilibrium are small. The nonlinear instability drives flute-like (k{sub Parallel-To }=0) density fluctuations using free energy from the background density gradient. Through nonlinear axial wavenumber transfer to k{sub Parallel-To }{ne}0 fluctuations, the nonlinear instability accesses the adiabatic response, which provides the requisite energy transfer channel from density to potential fluctuations as well as the phase shift that causes instability. The turbulence characteristics in the simulations agree remarkably well with experiment. When the nonlinear instability is artificially removed from the system through suppressing k{sub Parallel-To }=0 modes, the turbulence develops a coherent frequency spectrum which is inconsistent with experimental data. This indicates the importance of the nonlinear instability in producing experimentally consistent turbulence.

  8. Low Energy Defibrillation in Human Cardiac Tissue: A Simulation Study

    PubMed Central

    Morgan, Stuart W.; Plank, Gernot; Biktasheva, Irina V.; Biktashev, Vadim N.

    2009-01-01

    We aim to assess the effectiveness of feedback-controlled resonant drift pacing as a method for low energy defibrillation. Antitachycardia pacing is the only low energy defibrillation approach to have gained clinical significance, but it is still suboptimal. Low energy defibrillation would avoid adverse side effects associated with high voltage shocks and allow the application of implantable cardioverter defibrillator (ICD) therapy, in cases where such therapy is not tolerated today. We present results of computer simulations of a bidomain model of cardiac tissue with human atrial ionic kinetics. Reentry was initiated and low energy shocks were applied with the same period as the reentry, using feedback to maintain resonance. We demonstrate that such stimulation can move the core of reentrant patterns, in the direction that depends on the location of the electrodes and the time delay in the feedback. Termination of reentry is achieved with shock strength one-order-of-magnitude weaker than in conventional single-shock defibrillation. We conclude that resonant drift pacing can terminate reentry at a fraction of the shock strength currently used for defibrillation and can potentially work where antitachycardia pacing fails, due to the feedback mechanisms. Success depends on a number of details that these numerical simulations have uncovered. PMID:19217854

  9. Comparative Lifecycle Energy Analysis: Theory and Practice.

    ERIC Educational Resources Information Center

    Morris, Jeffrey; Canzoneri, Diana

    1992-01-01

    Explores the position that more energy is conserved through recycling secondary materials than is generated from municipal solid waste incineration. Discusses one component of a lifecycle analysis--a comparison of energy requirements for manufacturing competing products. Includes methodological issues, energy cost estimates, and difficulties…

  10. Comparative Lifecycle Energy Analysis: Theory and Practice.

    ERIC Educational Resources Information Center

    Morris, Jeffrey; Canzoneri, Diana

    1992-01-01

    Explores the position that more energy is conserved through recycling secondary materials than is generated from municipal solid waste incineration. Discusses one component of a lifecycle analysis--a comparison of energy requirements for manufacturing competing products. Includes methodological issues, energy cost estimates, and difficulties…

  11. Energy Analysis Program 1990 annual report

    SciTech Connect

    Not Available

    1992-01-01

    The Energy Analysis Program has played an active role in the analysis and discussion of energy and environmental issues at several levels. (1) at the international level, with programs as developing scenarios for long-term energy demand in developing countries and organizing leading an analytic effort, Energy Efficiency, Developing Countries, and Eastern Europe,'' part of a major effort to increase support for energy efficiency programs worldwide; (2) at national level, the Program has been responsible for assessing energy forecasts and policies affecting energy use (e.g., appliance standards, National Energy Strategy scenarios); and (3) at the state and utility levels, the Program has been a leader in promoting integrated resource utility planning; the collaborative process has led to agreement on a new generation of utility demand-site programs in California, providing an opportunity to use knowledge and analytic techniques of the Program's researchers. We continue to place highest on analyzing energy efficiency, with particular attention given to energy use in buildings. The Program continues its active analysis of international energy issues in Asia (including China), the Soviet Union, South America, and Western Europe. Analyzing the costs and benefits of different levels of standards for residential appliances continues to be the largest single area of research within the Program. The group has developed and applied techniques for forecasting energy demand (or constructing scenarios) for the United States. We have built a new model of industrial energy demand, are in the process of making major changes in our tools for forecasting residential energy demand, have built an extensive and documented energy conservation supply curve of residential energy use, and are beginning an analysis of energy-demand forecasting for commercial buildings.

  12. Energy Analysis Program 1990 annual report

    SciTech Connect

    Not Available

    1992-01-01

    The Energy Analysis Program has played an active role in the analysis and discussion of energy and environmental issues at several levels. (1) at the international level, with programs as developing scenarios for long-term energy demand in developing countries and organizing leading an analytic effort, ``Energy Efficiency, Developing Countries, and Eastern Europe,`` part of a major effort to increase support for energy efficiency programs worldwide; (2) at national level, the Program has been responsible for assessing energy forecasts and policies affecting energy use (e.g., appliance standards, National Energy Strategy scenarios); and (3) at the state and utility levels, the Program has been a leader in promoting integrated resource utility planning; the collaborative process has led to agreement on a new generation of utility demand-site programs in California, providing an opportunity to use knowledge and analytic techniques of the Program`s researchers. We continue to place highest on analyzing energy efficiency, with particular attention given to energy use in buildings. The Program continues its active analysis of international energy issues in Asia (including China), the Soviet Union, South America, and Western Europe. Analyzing the costs and benefits of different levels of standards for residential appliances continues to be the largest single area of research within the Program. The group has developed and applied techniques for forecasting energy demand (or constructing scenarios) for the United States. We have built a new model of industrial energy demand, are in the process of making major changes in our tools for forecasting residential energy demand, have built an extensive and documented energy conservation supply curve of residential energy use, and are beginning an analysis of energy-demand forecasting for commercial buildings.

  13. Simulation of Energy Response of the ATIC Calorimeter

    NASA Technical Reports Server (NTRS)

    Batkov, K. E.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Case, G.; Christl, M.; Chang, J.; Fazely, A. R.; Ganel, O.; Granger, D.; hide

    2002-01-01

    ATIC (Advanced Thin Ionization Calorimeter) is a balloon borne experiment designed to measure the cosmic ray composition for elements from hydrogen to iron and their energy spectra from approx.50 GeV to near 100 TeV. It consists of a Si-matrix detector to determine the charge of a CR particle, a scintillator hodoscope for tracking, carbon interaction targets and a fully active BGO calorimeter. ATIC had its first flight from McMurdo, Antarctica from 28/12/2000 to 13/01/2001. The ATIC flight collected approximately 25 million events. For reconstruction of primary spectra from spectra of energy deposits measured in the experiment, correlations between kinetic energy of a primary particle E(sub kin) and energy deposit in the calorimeter E(sub d) should be known. For this purpose, simulations of energy response of the calorimeter on energy spectra of different nuclei were done. The simulations were performed by GEANT-3.21 code with QGSM generator for nucleus - nucleus interactions. The incident flux was taken as isotropic in the ATIC aperture. Primary spectra power-law by momentum were used as inputs according to standard models of cosmic ray acceleration. These spectra become power-law by kinetic energy at E(sub kin) higher than approx.20Mc(sup 2), where M is primary nucleus mass. It should be noted that energy deposit spectra measured by ATIC illustrate similar behavior. Distributions of ratio E(sub kin)/E(sub d) are presented for different energy deposits and for a set of primaries. For power-law regions of energy spectra at E(sub d)> or equal to 20Mc(sup 2) the obtained mean value of E(sub kin)/E(sub d) increases from approx.2.4 for protons to approx.3.1 for iron, while rms/ decreases from 50% for protons to about 15% for iron. These values were obtained for the spectral index gamma=1.6

  14. Simulation of Energy Response of the ATIC Calorimeter

    NASA Technical Reports Server (NTRS)

    Batkov, K. E.; Adams, J. H., Jr.; Ahn, H. S.; Bashindzhagyan, G. L.; Case, G.; Christl, M.; Chang, J.; Fazely, A. R.; Ganel, O.; Granger, D.; Six, N. Frank (Technical Monitor)

    2002-01-01

    ATIC (Advanced Thin Ionization Calorimeter) is a balloon borne experiment designed to measure the cosmic ray composition for elements from hydrogen to iron and their energy spectra from approx.50 GeV to near 100 TeV. It consists of a Si-matrix detector to determine the charge of a CR particle, a scintillator hodoscope for tracking, carbon interaction targets and a fully active BGO calorimeter. ATIC had its first flight from McMurdo, Antarctica from 28/12/2000 to 13/01/2001. The ATIC flight collected approximately 25 million events. For reconstruction of primary spectra from spectra of energy deposits measured in the experiment, correlations between kinetic energy of a primary particle E(sub kin) and energy deposit in the calorimeter E(sub d) should be known. For this purpose, simulations of energy response of the calorimeter on energy spectra of different nuclei were done. The simulations were performed by GEANT-3.21 code with QGSM generator for nucleus - nucleus interactions. The incident flux was taken as isotropic in the ATIC aperture. Primary spectra power-law by momentum were used as inputs according to standard models of cosmic ray acceleration. These spectra become power-law by kinetic energy at E(sub kin) higher than approx.20Mc(sup 2), where M is primary nucleus mass. It should be noted that energy deposit spectra measured by ATIC illustrate similar behavior. Distributions of ratio E(sub kin)/E(sub d) are presented for different energy deposits and for a set of primaries. For power-law regions of energy spectra at E(sub d)> or equal to 20Mc(sup 2) the obtained mean value of E(sub kin)/E(sub d) increases from approx.2.4 for protons to approx.3.1 for iron, while rms/ decreases from 50% for protons to about 15% for iron. These values were obtained for the spectral index gamma=1.6

  15. 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.

  16. 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.

  17. A multiple perspective modeling and simulation approach for renewable energy policy evaluation

    NASA Astrophysics Data System (ADS)

    Alyamani, Talal M.

    Environmental issues and reliance on fossil fuel sources, including coal, oil, and natural gas, are the two most common energy issues that are currently faced by the United States (U.S.). Incorporation of renewable energy sources, a non-economical option in electricity generation compared to conventional sources that burn fossil fuels, single handedly promises a viable solution for both of these issues. Several energy policies have concordantly been suggested to reduce the financial burden of adopting renewable energy technologies and make such technologies competitive with conventional sources throughout the U.S. This study presents a modeling and analysis approach for comprehensive evaluation of renewable energy policies with respect to their benefits to various related stakeholders--customers, utilities, governmental and environmental agencies--where the debilitating impacts, advantages, and disadvantages of such policies can be assessed and quantified at the state level. In this work, a novel simulation framework is presented to help policymakers promptly assess and evaluate policies from different perspectives of its stakeholders. The proposed framework is composed of four modules: 1) a database that collates the economic, operational, and environmental data; 2) elucidation of policy, which devises the policy for the simulation model; 3) a preliminary analysis, which makes predictions for consumption, supply, and prices; and 4) a simulation model. After the validity of the proposed framework is demonstrated, a series of planned Florida and Texas renewable energy policies are implemented into the presented framework as case studies. Two solar and one energy efficiency programs are selected as part of the Florida case study. A utility rebate and federal tax credit programs are selected as part of the Texas case study. The results obtained from the simulation and conclusions drawn on the assessment of current energy policies are presented with respect to the

  18. 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.

  19. 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.

  20. Simulating electron energy loss spectroscopy with the MNPBEM toolbox

    NASA Astrophysics Data System (ADS)

    Hohenester, Ulrich

    2014-03-01

    Within the MNPBEM toolbox, we show how to simulate electron energy loss spectroscopy (EELS) of plasmonic nanoparticles using a boundary element method approach. The methodology underlying our approach closely follows the concepts developed by García de Abajo and coworkers (Garcia de Abajo, 2010). We introduce two classes eelsret and eelsstat that allow in combination with our recently developed MNPBEM toolbox for a simple, robust, and efficient computation of EEL spectra and maps. The classes are accompanied by a number of demo programs for EELS simulation of metallic nanospheres, nanodisks, and nanotriangles, and for electron trajectories passing by or penetrating through the metallic nanoparticles. We also discuss how to compute electric fields induced by the electron beam and cathodoluminescence. Catalogue identifier: AEKJ_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEKJ_v2_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 38886 No. of bytes in distributed program, including test data, etc.: 1222650 Distribution format: tar.gz Programming language: Matlab 7.11.0 (R2010b). Computer: Any which supports Matlab 7.11.0 (R2010b). Operating system: Any which supports Matlab 7.11.0 (R2010b). RAM:≥1 GB Classification: 18. Catalogue identifier of previous version: AEKJ_v1_0 Journal reference of previous version: Comput. Phys. Comm. 183 (2012) 370 External routines: MESH2D available at www.mathworks.com Does the new version supersede the previous version?: Yes Nature of problem: Simulation of electron energy loss spectroscopy (EELS) for plasmonic nanoparticles. Solution method: Boundary element method using electromagnetic potentials. Reasons for new version: The new version of the toolbox includes two additional classes for the simulation of electron energy

  1. A Large Eddy Simulation Study for upstream wind energy conditioning

    NASA Astrophysics Data System (ADS)

    Sharma, V.; Calaf, M.; Parlange, M. B.

    2013-12-01

    The wind energy industry is increasingly focusing on optimal power extraction strategies based on layout design of wind farms and yaw alignment algorithms. Recent field studies by Mikkelsen et al. (Wind Energy, 2013) have explored the possibility of using wind lidar technology installed at hub height to anticipate incoming wind direction and strength for optimizing yaw alignment. In this work we study the benefits of using remote sensing technology for predicting the incoming flow by using large eddy simulations of a wind farm. The wind turbines are modeled using the classic actuator disk concept with rotation, together with a new algorithm that permits the turbines to adapt to varying flow directions. This allows for simulations of a more realistic atmospheric boundary layer driven by a time-varying geostrophic wind. Various simulations are performed to investigate possible improvement in power generation by utilizing upstream data. Specifically, yaw-correction of the wind-turbine is based on spatio-temporally averaged wind values at selected upstream locations. Velocity and turbulence intensity are also considered at those locations. A base case scenario with the yaw alignment varying according to wind data measured at the wind turbine's hub is also used for comparison. This reproduces the present state of the art where wind vanes and cup anemometers installed behind the rotor blades are used for alignment control.

  2. An efficient time advancing strategy for energy-preserving simulations

    NASA Astrophysics Data System (ADS)

    Capuano, F.; Coppola, G.; de Luca, L.

    2015-08-01

    Energy-conserving numerical methods are widely employed within the broad area of convection-dominated systems. Semi-discrete conservation of energy is usually obtained by adopting the so-called skew-symmetric splitting of the non-linear convective term, defined as a suitable average of the divergence and advective forms. Although generally allowing global conservation of kinetic energy, it has the drawback of being roughly twice as expensive as standard divergence or advective forms alone. In this paper, a general theoretical framework has been developed to derive an efficient time-advancement strategy in the context of explicit Runge-Kutta schemes. The novel technique retains the conservation properties of skew-symmetric-based discretizations at a reduced computational cost. It is found that optimal energy conservation can be achieved by properly constructed Runge-Kutta methods in which only divergence and advective forms for the convective term are used. As a consequence, a considerable improvement in computational efficiency over existing practices is achieved. The overall procedure has proved to be able to produce new schemes with a specified order of accuracy on both solution and energy. The effectiveness of the method as well as the asymptotic behavior of the schemes is demonstrated by numerical simulation of Burgers' equation.

  3. MURR nodal analysis with simple interactive simulation

    NASA Astrophysics Data System (ADS)

    Enani, Mohammad Abdulsamad

    The main goal of this research is to design and produce computer codes that should do a NODAL analysis of the core of Missouri University Research Reactor 'MURR' with a simple neutron transient simulation. These codes should be executed on any of the family of the widely used modern IBM/PC (or IBM/PS) microcomputers (or compatibles). The nodal analysis code should find the power (or flux) distribution inside the reactor core and calculate fuel burnup for each of the fuel elements by using the nodal analysis technique described in chapter 3. The simulator code is a relatively simple, educational aid of MURR reactor kinetics simulation that uses one group point reactor model.

  4. 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.

  5. Analysis of Potential Energy Surfaces.

    ERIC Educational Resources Information Center

    Fernandez, G. M.; And Others

    1988-01-01

    Introduces different methodological strategies in analyzing potential energy surfaces (PES) used in chemical reactivity studies. Discusses the theory of PES and gives examples to be used for student work. Provides procedures for calculating normal coordinates and vibrational properties of an activated complex. (ML)

  6. Analysis of Potential Energy Surfaces.

    ERIC Educational Resources Information Center

    Fernandez, G. M.; And Others

    1988-01-01

    Introduces different methodological strategies in analyzing potential energy surfaces (PES) used in chemical reactivity studies. Discusses the theory of PES and gives examples to be used for student work. Provides procedures for calculating normal coordinates and vibrational properties of an activated complex. (ML)

  7. Applying efficient implicit nongeometric constraints in alchemical free energy simulations.

    PubMed

    Knight, Jennifer L; Brooks, Charles L

    2011-12-01

    Several strategies have been developed for satisfying bond lengths, angle, and other geometric constraints in molecular dynamics simulations. Advanced variations of alchemical free energy perturbation simulations, however, also require nongeometric constraints. In our recently developed multisite λ-dynamics simulation method, the conventional λ parameters that are associated with the progress variables in alchemical transformations are treated as dynamic variables and are constrained such that: 0 ≤ λ(i) ≤ 1 and Σ(i = 1)(N) λ(i) = 1. Here, we present four functional forms of λ that implicitly satisfy these nongeometric constraints, whose values and forces are facile to compute and that yield stable simulations using a 2 fs integration timestep. Using model systems, we present the sampling characteristics of these functional forms and demonstrate the enhanced sampling profiles and improved convergence rates that are achieved by the functional form: λ(i) = e(c sinθ(i))/Σ(j = 1)(N) e(c sinθ(j)) that oscillates between λ(i) = 0 and λ(i) = 1 and has relatively steep transitions between these endpoints.

  8. Direct molecular simulation of nitrogen dissociation based on an ab initio potential energy surface

    SciTech Connect

    Valentini, Paolo Schwartzentruber, Thomas E. Bender, Jason D. Nompelis, Ioannis Candler, Graham V.

    2015-08-15

    The direct molecular simulation (DMS) approach is used to predict the internal energy relaxation and dissociation dynamics of high-temperature nitrogen. An ab initio potential energy surface (PES) is used to calculate the dynamics of two interacting nitrogen molecules by providing forces between the four atoms. In the near-equilibrium limit, it is shown that DMS reproduces the results obtained from well-established quasiclassical trajectory (QCT) analysis, verifying the validity of the approach. DMS is used to predict the vibrational relaxation time constant for N{sub 2}–N{sub 2} collisions and its temperature dependence, which are in close agreement with existing experiments and theory. Using both QCT and DMS with the same PES, we find that dissociation significantly depletes the upper vibrational energy levels. As a result, across a wide temperature range, the dissociation rate is found to be approximately 4–5 times lower compared to the rates computed using QCT with Boltzmann energy distributions. DMS calculations predict a quasi-steady-state distribution of rotational and vibrational energies in which the rate of depletion of high-energy states due to dissociation is balanced by their rate of repopulation due to collisional processes. The DMS approach simulates the evolution of internal energy distributions and their coupling to dissociation without the need to precompute rates or cross sections for all possible energy transitions. These benchmark results could be used to develop new computational fluid dynamics models for high-enthalpy flow applications.

  9. 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).

  10. Low-Energy Impacts onto Lunar Regolith Simulant

    NASA Astrophysics Data System (ADS)

    Seward, Laura M.; Colwell, J.; Mellon, M.; Stemm, B.

    2012-10-01

    Low-Energy Impacts onto Lunar Regolith Simulant Laura M. Seward1, Joshua E. Colwell1, Michael T. Mellon2, and Bradley A. Stemm1, 1Department of Physics, University of Central Florida, Orlando, Florida, 2Southwest Research Institute, Boulder, Colorado. Impacts and cratering in space play important roles in the formation and evolution of planetary bodies. Low-velocity impacts and disturbances to planetary regolith are also a consequence of manned and robotic exploration of planetary bodies such as the Moon, Mars, and asteroids. We are conducting a program of laboratory experiments to study low-velocity impacts of 1 to 5 m/s into JSC-1 lunar regolith simulant, JSC-Mars-1 Martian regolith simulant, and silica targets under 1 g. We use direct measurement of ejecta mass and high-resolution video tracking of ejecta particle trajectories to derive ejecta mass velocity distributions. Additionally, we conduct similar experiments under microgravity conditions in a laboratory drop tower and on parabolic aircraft with velocities as low as 10 cm/s. We wish to characterize and understand the collision parameters that control the outcome of low-velocity impacts into regolith, including impact velocity, impactor mass, target shape and size distribution, regolith depth, target relative density, and crater depth, and to experimentally determine the functional dependencies of the outcomes of low-velocity collisions (ejecta mass and ejecta velocities) on the controlling parameters of the collision. We present results from our ongoing study showing the positive correlation between impact energy and ejecta mass. The total ejecta mass is also dependent on the packing density (porosity) of the regolith. We find that ejecta mass velocity fits a power-law or broken power-law distribution. Our goal is to understand the physics of ejecta production and regolith compaction in low-energy impacts and experimentally validate predictive models for dust flow and deposition. We will present our

  11. Model and particle-in-cell simulation of ion energy distribution in collisionless sheath

    SciTech Connect

    Zhou, Zhuwen; Kong, Bo; Luo, Yuee; Chen, Deliang; Wang, Yuansheng

    2015-06-15

    In this paper, we propose a self-consistent theoretical model, which is described by the ion energy distributions (IEDs) in collisionless sheaths, and the analytical results for different combined dc/radio frequency (rf) capacitive coupled plasma discharge cases, including sheath voltage errors analysis, are compared with the results of numerical simulations using a one-dimensional plane-parallel particle-in-cell (PIC) simulation. The IEDs in collisionless sheaths are performed on combination of dc/rf voltage sources electrodes discharge using argon as the process gas. The incident ions on the grounded electrode are separated, according to their different radio frequencies, and dc voltages on a separated electrode, the IEDs, and widths of energy in sheath and the plasma sheath thickness are discussed. The IEDs, the IED widths, and sheath voltages by the theoretical model are investigated and show good agreement with PIC simulations.

  12. Convexity and Stiffness in Energy Functions for Electrostatic Simulations.

    PubMed

    Pujos, Justine S; Maggs, A C

    2015-04-14

    We study the properties of convex functionals which have been proposed for the simulation of charged molecular systems within the Poisson-Boltzmann approximation. We consider the extent to which the functionals reproduce the true fluctuations of electrolytes and thus the one-loop correction to mean field theory-including the Debye-Hückel correction to the free energy of ionic solutions. We also compare the functionals for use in numerical optimization of a mean field model of a charged polymer and show that different functionals have very different stiffnesses leading to substantial differences in accuracy and speed.

  13. Simulation and evaluation of latent heat thermal energy storage

    NASA Technical Reports Server (NTRS)

    Sigmon, T. W.

    1980-01-01

    The relative value of thermal energy storage (TES) for heat pump storage (heating and cooling) as a function of storage temperature, mode of storage (hotside or coldside), geographic locations, and utility time of use rate structures were derived. Computer models used to simulate the performance of a number of TES/heat pump configurations are described. The models are based on existing performance data of heat pump components, available building thermal load computational procedures, and generalized TES subsystem design. Life cycle costs computed for each site, configuration, and rate structure are discussed.

  14. Cold Climate Foundation Retrofit Energy Savings: The Simulated Energy and Experimental Hygrothermal Performance of Cold Climate Foundation Wall Insulation Retrofit Measures -- Phase I, Energy Simulation

    SciTech Connect

    Goldberg, L. F.; Steigauf, B.

    2013-04-01

    A split simulation whole building energy/3-dimensional earth contact model (termed the BUFETS/EnergyPlus Model or BEM) capable of modeling the full range of foundation systems found in the target retrofit housing stock has been extensively tested. These foundation systems that include abovegrade foundation walls, diabatic floors or slabs as well as lookout or walkout walls, currently cannot be modeled within BEopt.

  15. Cold Climate Foundation Retrofit Energy Savings. The Simulated Energy and Experimental Hygrothermal Performance of Cold Climate Foundation Wall Insulation Retrofit Measures -- Phase I, Energy Simulation

    SciTech Connect

    Goldberg, Louise F.; Steigauf, Brianna

    2013-04-01

    A split simulation whole building energy / 3-dimensional earth contact model (termed the BUFETS/EnergyPlus Model or BEM) capable of modeling the full range of foundation systems found in the target retrofit housing stock has been extensively tested. These foundation systems that include abovegrade foundation walls, diabatic floors or slabs as well as lookout or walkout walls, currently cannot be modeled within BEopt.

  16. Energy analysis program. 1995 Annual report

    SciTech Connect

    Levine, M.D.

    1996-05-01

    This year the role of energy technology research and analysis supporting governmental and public interests is again being challenged at high levels of government. This situation is not unlike that of the early 1980s, when the Administration questioned the relevance of a federal commitment to applied energy research, especially for energy efficiency and renewable energy technologies. Then Congress continued to support such activities, deeming them important to the nation`s interest. Today, Congress itself is challenging many facets of the federal role in energy. The Administration is also selectively reducing its support, primarily for the pragmatic objective of reducing federal expenditures, rather than because of principles opposing a public role in energy. this report is divided into three sections: International Energy and the global environment; Energy, economics, markets, and policy; and Buildings and their environment.

  17. Energy Storage Fuel Cell Vehicle Analysis

    SciTech Connect

    Pesaran, A; Markel, T; Zolot, M; Sprik, S; Tataria, H; Duong, T

    2005-08-01

    In recent years, hydrogen fuel cell (FC) vehicle technology has received considerable attention as a strategy to decrease oil consumption and reduce harmful emissions. However, the cost, transient response, and cold performance of FC systems may present significant challenges to widespread adoption of the technology for transportation in the next 15 years. The objectives of this effort were to perform energy storage modeling with fuel cell vehicle simulations to quantify the benefits of hybridization and to identify a process for setting the requirements of ES for hydrogen-powered FC vehicles for U.S. Department of Energy's Energy Storage Program.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

    The radiation and ionization energy loss are presented for single arm Monte Carlo simulation for the GDH sum rule experiment in Hall-A at the Jefferson Lab. Radiation and ionization energy loss are discussed for 12C elastic scattering simulation. The relative momentum ratio \\frac{{Δ p}}{p} and 12C elastic cross section are compared without and with radiative energy loss and a reasonable shape is obtained by the simulation. The total energy loss distribution is obtained, showing a Landau shape for 12C elastic scattering. This simulation work will give good support for radiation correction analysis of the GDH sum rule experiment. Supported by National Natural Science Foundation of China (11135002, 11275083), US Department of Energy contract DE-AC05-84ER-40150 under which Jefferson Science Associates operates the Thomas Jefferson National Accelerator Facility and Natural Science Foundation of An'hui Educational Committee (KJ2012B179)

  19. Dual Energy Method for Breast Imaging: A Simulation Study

    PubMed Central

    2015-01-01

    Dual energy methods can suppress the contrast between adipose and glandular tissues in the breast and therefore enhance the visibility of calcifications. In this study, a dual energy method based on analytical modeling was developed for the detection of minimum microcalcification thickness. To this aim, a modified radiographic X-ray unit was considered, in order to overcome the limited kVp range of mammographic units used in previous DE studies, combined with a high resolution CMOS sensor (pixel size of 22.5 μm) for improved resolution. Various filter materials were examined based on their K-absorption edge. Hydroxyapatite (HAp) was used to simulate microcalcifications. The contrast to noise ratio (CNRtc) of the subtracted images was calculated for both monoenergetic and polyenergetic X-ray beams. The optimum monoenergetic pair was 23/58 keV for the low and high energy, respectively, resulting in a minimum detectable microcalcification thickness of 100 μm. In the polyenergetic X-ray study, the optimal spectral combination was 40/70 kVp filtered with 100 μm cadmium and 1000 μm copper, respectively. In this case, the minimum detectable microcalcification thickness was 150 μm. The proposed dual energy method provides improved microcalcification detectability in breast imaging with mean glandular dose values within acceptable levels. PMID:26246848

  20. Dual Energy Method for Breast Imaging: A Simulation Study.

    PubMed

    Koukou, V; Martini, N; Michail, C; Sotiropoulou, P; Fountzoula, C; Kalyvas, N; Kandarakis, I; Nikiforidis, G; Fountos, G

    2015-01-01

    Dual energy methods can suppress the contrast between adipose and glandular tissues in the breast and therefore enhance the visibility of calcifications. In this study, a dual energy method based on analytical modeling was developed for the detection of minimum microcalcification thickness. To this aim, a modified radiographic X-ray unit was considered, in order to overcome the limited kVp range of mammographic units used in previous DE studies, combined with a high resolution CMOS sensor (pixel size of 22.5 μm) for improved resolution. Various filter materials were examined based on their K-absorption edge. Hydroxyapatite (HAp) was used to simulate microcalcifications. The contrast to noise ratio (CNR tc ) of the subtracted images was calculated for both monoenergetic and polyenergetic X-ray beams. The optimum monoenergetic pair was 23/58 keV for the low and high energy, respectively, resulting in a minimum detectable microcalcification thickness of 100 μm. In the polyenergetic X-ray study, the optimal spectral combination was 40/70 kVp filtered with 100 μm cadmium and 1000 μm copper, respectively. In this case, the minimum detectable microcalcification thickness was 150 μm. The proposed dual energy method provides improved microcalcification detectability in breast imaging with mean glandular dose values within acceptable levels.

  1. Efficient free energy calculations of quantum systems through computer simulations

    NASA Astrophysics Data System (ADS)

    Antonelli, Alex; Ramirez, Rafael; Herrero, Carlos; Hernandez, Eduardo

    2009-03-01

    In general, the classical limit is assumed in computer simulation calculations of free energy. This approximation, however, is not justifiable for a class of systems in which quantum contributions for the free energy cannot be neglected. The inclusion of quantum effects is important for the determination of reliable phase diagrams of these systems. In this work, we present a new methodology to compute the free energy of many-body quantum systems [1]. This methodology results from the combination of the path integral formulation of statistical mechanics and efficient non-equilibrium methods to estimate free energy, namely, the adiabatic switching and reversible scaling methods. A quantum Einstein crystal is used as a model to show the accuracy and reliability the methodology. This new method is applied to the calculation of solid-liquid coexistence properties of neon. Our findings indicate that quantum contributions to properties such as, melting point, latent heat of fusion, entropy of fusion, and slope of melting line can be up to 10% of the calculated values using the classical approximation. [1] R. M. Ramirez, C. P. Herrero, A. Antonelli, and E. R. Hernández, Journal of Chemical Physics 129, 064110 (2008)

  2. Simulating environmental changes due to marine hydrokinetic energy installations.

    SciTech Connect

    Jones, Craig A.; James, Scott Carlton; Roberts, Jesse Daniel; Seetho, Eddy

    2010-08-01

    Marine hydrokinetic (MHK) projects will extract energy from ocean currents and tides, thereby altering water velocities and currents in the site's waterway. These hydrodynamics changes can potentially affect the ecosystem, both near the MHK installation and in surrounding (i.e., far field) regions. In both marine and freshwater environments, devices will remove energy (momentum) from the system, potentially altering water quality and sediment dynamics. In estuaries, tidal ranges and residence times could change (either increasing or decreasing depending on system flow properties and where the effects are being measured). Effects will be proportional to the number and size of structures installed, with large MHK projects having the greatest potential effects and requiring the most in-depth analyses. This work implements modification to an existing flow, sediment dynamics, and water-quality code (SNL-EFDC) to qualify, quantify, and visualize the influence of MHK-device momentum/energy extraction at a representative site. New algorithms simulate changes to system fluid dynamics due to removal of momentum and reflect commensurate changes in turbulent kinetic energy and its dissipation rate. A generic model is developed to demonstrate corresponding changes to erosion, sediment dynamics, and water quality. Also, bed-slope effects on sediment erosion and bedload velocity are incorporated to better understand scour potential.

  3. Simulation of the Atmospheric Boundary Layer for Wind Energy Applications

    NASA Astrophysics Data System (ADS)

    Marjanovic, Nikola

    Energy production from wind is an increasingly important component of overall global power generation, and will likely continue to gain an even greater share of electricity production as world governments attempt to mitigate climate change and wind energy production costs decrease. Wind energy generation depends on wind speed, which is greatly influenced by local and synoptic environmental forcings. Synoptic forcing, such as a cold frontal passage, exists on a large spatial scale while local forcing manifests itself on a much smaller scale and could result from topographic effects or land-surface heat fluxes. Synoptic forcing, if strong enough, may suppress the effects of generally weaker local forcing. At the even smaller scale of a wind farm, upstream turbines generate wakes that decrease the wind speed and increase the atmospheric turbulence at the downwind turbines, thereby reducing power production and increasing fatigue loading that may damage turbine components, respectively. Simulation of atmospheric processes that span a considerable range of spatial and temporal scales is essential to improve wind energy forecasting, wind turbine siting, turbine maintenance scheduling, and wind turbine design. Mesoscale atmospheric models predict atmospheric conditions using observed data, for a wide range of meteorological applications across scales from thousands of kilometers to hundreds of meters. Mesoscale models include parameterizations for the major atmospheric physical processes that modulate wind speed and turbulence dynamics, such as cloud evolution and surface-atmosphere interactions. The Weather Research and Forecasting (WRF) model is used in this dissertation to investigate the effects of model parameters on wind energy forecasting. WRF is used for case study simulations at two West Coast North American wind farms, one with simple and one with complex terrain, during both synoptically and locally-driven weather events. The model's performance with different

  4. A mechanical energy analysis of gait initiation

    NASA Technical Reports Server (NTRS)

    Miller, C. A.; Verstraete, M. C.

    1999-01-01

    The analysis of gait initiation (the transient state between standing and walking) is an important diagnostic tool to study pathologic gait and to evaluate prosthetic devices. While past studies have quantified mechanical energy of the body during steady-state gait, to date no one has computed the mechanical energy of the body during gait initiation. In this study, gait initiation in seven normal male subjects was studied using a mechanical energy analysis to compute total body energy. The data showed three separate states: quiet standing, gait initiation, and steady-state gait. During gait initiation, the trends in the energy data for the individual segments were similar to those seen during steady-state gait (and in Winter DA, Quanbury AO, Reimer GD. Analysis of instantaneous energy of normal gait. J Biochem 1976;9:253-257), but diminished in amplitude. However, these amplitudes increased to those seen in steady-state during the gait initiation event (GIE), with the greatest increase occurring in the second step due to the push-off of the foundation leg. The baseline level of mechanical energy was due to the potential energy of the individual segments, while the cyclic nature of the data was indicative of the kinetic energy of the particular leg in swing phase during that step. The data presented showed differences in energy trends during gait initiation from those of steady state, thereby demonstrating the importance of this event in the study of locomotion.

  5. A mechanical energy analysis of gait initiation

    NASA Technical Reports Server (NTRS)

    Miller, C. A.; Verstraete, M. C.

    1999-01-01

    The analysis of gait initiation (the transient state between standing and walking) is an important diagnostic tool to study pathologic gait and to evaluate prosthetic devices. While past studies have quantified mechanical energy of the body during steady-state gait, to date no one has computed the mechanical energy of the body during gait initiation. In this study, gait initiation in seven normal male subjects was studied using a mechanical energy analysis to compute total body energy. The data showed three separate states: quiet standing, gait initiation, and steady-state gait. During gait initiation, the trends in the energy data for the individual segments were similar to those seen during steady-state gait (and in Winter DA, Quanbury AO, Reimer GD. Analysis of instantaneous energy of normal gait. J Biochem 1976;9:253-257), but diminished in amplitude. However, these amplitudes increased to those seen in steady-state during the gait initiation event (GIE), with the greatest increase occurring in the second step due to the push-off of the foundation leg. The baseline level of mechanical energy was due to the potential energy of the individual segments, while the cyclic nature of the data was indicative of the kinetic energy of the particular leg in swing phase during that step. The data presented showed differences in energy trends during gait initiation from those of steady state, thereby demonstrating the importance of this event in the study of locomotion.

  6. Geothermal Energy Development in the Eastern United States, Sensitivity analysis-cost of geothermal energy

    SciTech Connect

    Kane, S.M.; Kroll, P.; Nilo, B.

    1982-12-01

    The Geothermal Resources Interactive Temporal Simulation (GRITS) model is a computer code designed to estimate the costs of geothermal energy systems. The interactive program allows the user to vary resource, demand, and financial parameters to observe their effects on delivered costs of direct-use geothermal energy. Due to the large number and interdependent nature of the variables that influence these costs, the variables can be handled practically only through computer modeling. This report documents a sensitivity analysis of the cost of direct-use geothermal energy where each major element is varied to measure the responsiveness of cost to changes in that element. It is hoped that this analysis will assist those persons interested in geothermal energy to understand the most significant cost element as well as those individuals interested in using the GRITS program in the future.

  7. Energy consumption program: A computer model simulating energy loads in buildings

    NASA Technical Reports Server (NTRS)

    Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

    1978-01-01

    The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

  8. Energy consumption program: A computer model simulating energy loads in buildings

    NASA Technical Reports Server (NTRS)

    Stoller, F. W.; Lansing, F. L.; Chai, V. W.; Higgins, S.

    1978-01-01

    The JPL energy consumption computer program developed as a useful tool in the on-going building modification studies in the DSN energy conservation project is described. The program simulates building heating and cooling loads and computes thermal and electric energy consumption and cost. The accuracy of computations are not sacrificed, however, since the results lie within + or - 10 percent margin compared to those read from energy meters. The program is carefully structured to reduce both user's time and running cost by asking minimum information from the user and reducing many internal time-consuming computational loops. Many unique features were added to handle two-level electronics control rooms not found in any other program.

  9. 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.

  10. Simulation and analysis of flexibly jointed manipulators

    NASA Technical Reports Server (NTRS)

    Murphy, Steve H.; Wen, John T.; Saridis, George M.

    1990-01-01

    Modeling, simulation, and analysis of robot manipulators with non-negligible joint flexibility are studied. A recursive Newton-Euler model of the flexibly jointed manipulator is developed with many advantages over the traditional Lagrange-Euler methods. The Newton-Euler approach leads to a method for the simulation of a flexibly jointed manipulator in which the number of computations grows linearly with the number of links. Additionally, any function for the flexibility between the motor and link may be used permitting the simulation of nonlinear effects, such as backlash, in a uniform manner for all joints. An analysis of the control problems for flexibly jointed manipulators is presented by converting the Newton-Euler model to a Lagrange-Euler form. The detailed structure available in the model is used to examine linearizing controllers and shows the dependency of the control on the choice of flexible model and structure of the manipulator.

  11. Coarse-grained versus atomistic simulations: realistic interaction free energies for real proteins.

    PubMed

    May, Ali; Pool, René; van Dijk, Erik; Bijlard, Jochem; Abeln, Sanne; Heringa, Jaap; Feenstra, K Anton

    2014-02-01

    To assess whether two proteins will interact under physiological conditions, information on the interaction free energy is needed. Statistical learning techniques and docking methods for predicting protein-protein interactions cannot quantitatively estimate binding free energies. Full atomistic molecular simulation methods do have this potential, but are completely unfeasible for large-scale applications in terms of computational cost required. Here we investigate whether applying coarse-grained (CG) molecular dynamics simulations is a viable alternative for complexes of known structure. We calculate the free energy barrier with respect to the bound state based on molecular dynamics simulations using both a full atomistic and a CG force field for the TCR-pMHC complex and the MP1-p14 scaffolding complex. We find that the free energy barriers from the CG simulations are of similar accuracy as those from the full atomistic ones, while achieving a speedup of >500-fold. We also observe that extensive sampling is extremely important to obtain accurate free energy barriers, which is only within reach for the CG models. Finally, we show that the CG model preserves biological relevance of the interactions: (i) we observe a strong correlation between evolutionary likelihood of mutations and the impact on the free energy barrier with respect to the bound state; and (ii) we confirm the dominant role of the interface core in these interactions. Therefore, our results suggest that CG molecular simulations can realistically be used for the accurate prediction of protein-protein interaction strength. The python analysis framework and data files are available for download at http://www.ibi.vu.nl/downloads/bioinformatics-2013-btt675.tgz.

  12. 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.

  13. High-energy PIXE: quantitative analysis

    NASA Astrophysics Data System (ADS)

    Denker, A.; Opitz-Coutureau, J.; Campbell, J. L.; Maxwell, J. A.; Hopman, T.

    2004-06-01

    In recent years, high-energy PIXE was applied successfully for qualitative analysis on art and archaeological objects, e.g. coins, bronzes, sculptures, brooches. However, in the absence of software for quantitative analysis the full benefit inherent in the PIXE technique was not obtained. For example, a bronze could easily be distinguished from a brass, but the concentrations could not be rigorously compared within a set of bronzes. In this paper, the first quantitative analysis by high-energy PIXE is presented. The Guelph PIXE Software Package GUPIX has been extended to proton energies up to 100 MeV, so that high-energy PIXE spectra can be evaluated and concentrations derived. Measurements on metal and alloy standards at two different proton energies have been performed and the obtained compositions were compared to the certified values. The results will be presented and deviations discussed.

  14. Mechanical energy oscillations of two brachiation gaits: measurement and simulation.

    PubMed

    Bertram, J E; Chang, Y H

    2001-08-01

    How do arm-swinging apes locomote effectively over a variety of speeds? One way to reduce the metabolic energy cost of locomotion is to transfer energy between reversible mechanical modes. In terrestrial animals, at least two transfer mechanisms have been identified: 1) a pendulum-like mechanism for walking, with exchange between gravitational potential energy and translational kinetic energy, and 2) a spring-like mechanism for running, where the elastic strain energy of stretched muscle and tendon is largely returned to reaccelerate the animal. At slower speeds, a brachiator will always have at least one limb in contact with the support, similar to the overlap of foot contact in bipedal walking. At faster speeds, brachiators exhibit an aerial phase, similar to that seen in bipedal running. Are there two distinct brachiation gaits even though the animal appears to simply swing beneath its overhead support? If so, are different exchange mechanisms employed? Our kinetic analysis of brachiation in a white-handed gibbon (Hylobates lar) indicates that brachiation is indeed comprised of two mechanically distinct gaits. At slower speeds in "continuous contact" brachiation, the gibbon utilizes a simple pendulum-like transfer of mechanical energy within each stride. At faster speeds in "ricochetal" brachiation, translational and rotational kinetic energy are exchanged in a novel "whip-like" transfer. We propose that brachiators utilize the transfer between translational and rotational kinetic energy to control the dynamics of their swing. This maneuver may allow muscle action at the shoulder to control the transfer and adjust the ballistic portion of the step to meet the requirements for the next hand contact. Copyright 2001 Wiley-Liss, Inc.

  15. Stochastic Modeling of Overtime Occupancy and Its Application in Building Energy Simulation and Calibration

    SciTech Connect

    Sun, Kaiyu; Yan, Da; Hong, Tianzhen; Guo, Siyue

    2014-02-28

    Overtime is a common phenomenon around the world. Overtime drives both internal heat gains from occupants, lighting and plug-loads, and HVAC operation during overtime periods. Overtime leads to longer occupancy hours and extended operation of building services systems beyond normal working hours, thus overtime impacts total building energy use. Current literature lacks methods to model overtime occupancy because overtime is stochastic in nature and varies by individual occupants and by time. To address this gap in the literature, this study aims to develop a new stochastic model based on the statistical analysis of measured overtime occupancy data from an office building. A binomial distribution is used to represent the total number of occupants working overtime, while an exponential distribution is used to represent the duration of overtime periods. The overtime model is used to generate overtime occupancy schedules as an input to the energy model of a second office building. The measured and simulated cooling energy use during the overtime period is compared in order to validate the overtime model. A hybrid approach to energy model calibration is proposed and tested, which combines ASHRAE Guideline 14 for the calibration of the energy model during normal working hours, and a proposed KS test for the calibration of the energy model during overtime. The developed stochastic overtime model and the hybrid calibration approach can be used in building energy simulations to improve the accuracy of results, and better understand the characteristics of overtime in office buildings.

  16. Long-run forecasts of regional energy prices with the Argonne Regional Energy Price Simulator (AREPS)

    SciTech Connect

    South, D.W.; Hanson, D.A.

    1985-01-01

    This paper documents a systematic method to translate national energy price projections by fuel type and sector into regional and state prices. This procedure is accomplished through the Argonne Regional Energy Price Simulator (AREPS). The paper delineates the methodological premise underlying AREPS, together with its algorithm. To illustrate the capabilities and results of AREPS, a set of sample projections are presented. Industrial fuel price projections at the federal region level are reported for selected years from 1980 to 2010. Although AREPS was designed and developed for a particular project, it is a very flexible and adaptive system for the generation of regional and state fuel prices.

  17. Energetics analysis of the observed and simulated general circulation using three-dimensional normal mode expansions

    NASA Technical Reports Server (NTRS)

    Tanaka, Hiroshi; Kung, Ernest C.; Baker, Wayman E.

    1986-01-01

    The energetics characteristics of the observed and simulated general circulation are analyzed using three-dimensional normal mode expansions. The data sets involved are the Goddard Laboratory for Atmospheres (GLA) analysis and simulation data and the Geophysical Fluid Dynamics Laboratory (GFDL) analysis data. The spectral energy properties of the Rossby and gravity modes and energy transformations are presented. Significant influences of model characteristics and the assimilation techniques are observed in the barotropic energy spectrum, particularly for the gravity mode. Energy transformations of the zonal mean field in the GLA analysis and simulation are similar, but distinctly different from that in the GFDL analysis. However, overall, the energy generation in the baroclinic mode is largely balanced by the sink in the barotropic mode. The present study may demonstrate utilities of the three-dimensional normal mode energetics in the analysis of the general circulation.

  18. Simulation and modeling of high-energy laser systems

    NASA Astrophysics Data System (ADS)

    Link, Donald J.; St. John, Richard

    2004-09-01

    Since the beginning of High Energy Laser systems, simulations have been used to predict performance, do parameter trades, and assist in troubleshooting. Today, simulations benefit from higher speed computers with more memory, but they are also being asked to do more. New types of HEL devices are being proposed, more hardware details are being incorporated, beam control systems are becoming more complex, innovative new systems are being designed to work under conditions of strong turbulence, and more types of targets are being considered. There are three types of physics level codes: resonator, beam control, and lethality. All three are slow running and require a high level of expertise to use. Scaling law codes are much easier to use and much faster running. These codes are based on analytical predictions and anchored to the wave optics simulations and to experiments. Scaling law codes can quickly predict performance, weight, and volume for various scenarios and conditions. Now that HEL systems are closer to reality, there is more interest in incorporating the scaling law codes into engagement codes, which predict overall system effectiveness in battle situations.

  19. Numerical simulation of energy-absorbing capacity of metal sheet under penetration

    NASA Astrophysics Data System (ADS)

    Kaminishi, K.

    1997-07-01

    A finite element program employing a new explicit and consistent scheme for dynamic plasticity problems has been developed and deformation analysis of metal sheet under penetration has been carried out by this program. On the basis of this simulation, formulae for estimating the energy-absorbing capacity of thin metal sheet are proposed and the validity of this formulae has been shown numerically and experimentally.

  20. Analysis of the energy related climate change

    SciTech Connect

    Iotova, A.

    1997-12-31

    The key role of energy sector in the economy and its importance for a sustainable development in the future define the considerable research efforts devoted to the question of energy related climate change. It is of special interest to analyse climate change problem. The results such as analysis are presented in the paper.

  1. MEPSA: minimum energy pathway analysis for energy landscapes.

    PubMed

    Marcos-Alcalde, Iñigo; Setoain, Javier; Mendieta-Moreno, Jesús I; Mendieta, Jesús; Gómez-Puertas, Paulino

    2015-12-01

    From conformational studies to atomistic descriptions of enzymatic reactions, potential and free energy landscapes can be used to describe biomolecular systems in detail. However, extracting the relevant data of complex 3D energy surfaces can sometimes be laborious. In this article, we present MEPSA (Minimum Energy Path Surface Analysis), a cross-platform user friendly tool for the analysis of energy landscapes from a transition state theory perspective. Some of its most relevant features are: identification of all the barriers and minima of the landscape at once, description of maxima edge profiles, detection of the lowest energy path connecting two minima and generation of transition state theory diagrams along these paths. In addition to a built-in plotting system, MEPSA can save most of the generated data into easily parseable text files, allowing more versatile uses of MEPSA's output such as the generation of molecular dynamics restraints from a calculated path. MEPSA is freely available (under GPLv3 license) at: http://bioweb.cbm.uam.es/software/MEPSA/ CONTACT: pagomez@cbm.csic.es. Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  2. Synthetic CT: simulating low dose single and dual energy protocols from a dual energy scan.

    PubMed

    Wang, Adam S; Pelc, Norbert J

    2011-10-01

    The choice of CT protocol can greatly impact patient dose and image quality. Since acquiring multiple scans at different techniques on a given patient is undesirable, the ability to predict image quality changes starting from a high quality exam can be quite useful. While existing methods allow one to generate simulated images of lower exposure (mAs) from an acquired CT exam, the authors present and validate a new method called synthetic CT that can generate realistic images of a patient at arbitrary low dose protocols (kVp, mAs, and filtration) for both single and dual energy scans. The synthetic CT algorithm is derived by carefully ensuring that the expected signal and noise are accurate for the simulated protocol. The method relies on the observation that the material decomposition from a dual energy CT scan allows the transmission of an arbitrary spectrum to be predicted. It requires an initial dual energy scan of the patient to either synthesize raw projections of a single energy scan or synthesize the material decompositions of a dual energy scan. The initial dual energy scan contributes inherent noise to the synthesized projections that must be accounted for before adding more noise to simulate low dose protocols. Therefore, synthetic CT is subject to the constraint that the synthesized data have noise greater than the inherent noise. The authors experimentally validated the synthetic CT algorithm across a range of protocols using a dual energy scan of an acrylic phantom with solutions of different iodine concentrations. An initial 80/140 kVp dual energy scan of the phantom provided the material decomposition necessary to synthesize images at 100 kVp and at 120 kVp, across a range of mAs values. They compared these synthesized single energy scans of the phantom to actual scans at the same protocols. Furthermore, material decompositions of a 100/120 kVp dual energy scan are synthesized by adding correlated noise to the initial material decompositions. The

  3. Advanced nuclear energy analysis technology.

    SciTech Connect

    Gauntt, Randall O.; Murata, Kenneth K.; Romero, Vicente JosÔe; Young, Michael Francis; Rochau, Gary Eugene

    2004-05-01

    A two-year effort focused on applying ASCI technology developed for the analysis of weapons systems to the state-of-the-art accident analysis of a nuclear reactor system was proposed. The Sandia SIERRA parallel computing platform for ASCI codes includes high-fidelity thermal, fluids, and structural codes whose coupling through SIERRA can be specifically tailored to the particular problem at hand to analyze complex multiphysics problems. Presently, however, the suite lacks several physics modules unique to the analysis of nuclear reactors. The NRC MELCOR code, not presently part of SIERRA, was developed to analyze severe accidents in present-technology reactor systems. We attempted to: (1) evaluate the SIERRA code suite for its current applicability to the analysis of next generation nuclear reactors, and the feasibility of implementing MELCOR models into the SIERRA suite, (2) examine the possibility of augmenting ASCI codes or alternatives by coupling to the MELCOR code, or portions thereof, to address physics particular to nuclear reactor issues, especially those facing next generation reactor designs, and (3) apply the coupled code set to a demonstration problem involving a nuclear reactor system. We were successful in completing the first two in sufficient detail to determine that an extensive demonstration problem was not feasible at this time. In the future, completion of this research would demonstrate the feasibility of performing high fidelity and rapid analyses of safety and design issues needed to support the development of next generation power reactor systems.

  4. Radiographic simulations and analysis for ASCI

    SciTech Connect

    Aufderheide, M.; Stone, D.; VonWittenau, A.

    1998-12-18

    In this paper, the authors describe their work on developing quantitatively accurate radiographic simulation and analysis tools for ASCI hydro codes. they have extended the ability of HADES, the code which simulates radiography through a mesh, to treat the complex meshes used in ASCI calculations. The ultimate goal is to allow direct comparison between experimental radiographs and full physics simulated radiographs of ASCI calculations. They describe the ray-tracing algorithm they have developed for fast, accurate simulation of dynamic radiographs with the meshes used in ALE3D, an LLNL ASCI code. Spectral effects and material compositions are included. In addition to the newness of the mesh types, the distributed nature of domain decomposed problems requires special treatment by the radiographic code. Because of the size of such problems, they have parallelized the radiographic simulation, in order to have quick turnaround time. presently, this is done using the domain decomposition from the hydro code. They demonstrate good parallel scaling as the size of the problem is increased. They show a comparison between an experimental radiograph of a high explosive detonation and a simulated radiograph of an ALE3D calculation. They conclude with a discussion of future work.

  5. Annual Energy Consumption Analysis Report for Richland Middle School

    SciTech Connect

    Liu, Bing

    2003-12-18

    Richland Middle School is a single story, 90,000 square feet new school located in Richland, WA. The design team proposed four HVAC system options to serve the building. The proposed HVAC systems are listed as following: (1) 4-pipe fan coil units served by electrical chiller and gas-fired boilers, (2) Ground-source closed water loop heat pumps with water loop heat pumps with boiler and cooling tower, and (3) VAV system served by electrical chiller and gas-fired boiler. This analysis estimates the annual energy consumptions and costs of each system option, in order to provide the design team with a reasonable basis for determining which system is most life-cycle cost effective. eQuest (version 3.37), a computer-based energy simulation program that uses the DOE-2 simulation engine, was used to estimate the annual energy costs.

  6. Coupled dynamics analysis of wind energy systems

    NASA Technical Reports Server (NTRS)

    Hoffman, J. A.

    1977-01-01

    A qualitative description of all key elements of a complete wind energy system computer analysis code is presented. The analysis system addresses the coupled dynamics characteristics of wind energy systems, including the interactions of the rotor, tower, nacelle, power train, control system, and electrical network. The coupled dynamics are analyzed in both the frequency and time domain to provide the basic motions and loads data required for design, performance verification and operations analysis activities. Elements of the coupled analysis code were used to design and analyze candidate rotor articulation concepts. Fundamental results and conclusions derived from these studies are presented.

  7. Aiding Design of Wave Energy Converters via Computational Simulations

    NASA Astrophysics Data System (ADS)

    Jebeli Aqdam, Hejar; Ahmadi, Babak; Raessi, Mehdi; Tootkaboni, Mazdak

    2015-11-01

    With the increasing interest in renewable energy sources, wave energy converters will continue to gain attention as a viable alternative to current electricity production methods. It is therefore crucial to develop computational tools for the design and analysis of wave energy converters. A successful design requires balance between the design performance and cost. Here an analytical solution is used for the approximate analysis of interactions between a flap-type wave energy converter (WEC) and waves. The method is verified using other flow solvers and experimental test cases. Then the model is used in conjunction with a powerful heuristic optimization engine, Charged System Search (CSS) to explore the WEC design space. CSS is inspired by charged particles behavior. It searches the design space by considering candidate answers as charged particles and moving them based on the Coulomb's laws of electrostatics and Newton's laws of motion to find the global optimum. Finally the impacts of changes in different design parameters on the power takeout of the superior WEC designs are investigated. National Science Foundation, CBET-1236462.

  8. Energy demand hourly simulations and energy saving strategies in greenhouses for the Mediterranean climate

    NASA Astrophysics Data System (ADS)

    Priarone, A.; Fossa, M.; Paietta, E.; Rolando, D.

    2017-01-01

    This research has been devoted to the selection of the most favourable plant solutions for ventilation, heating and cooling, thermo-hygrometric control of a greenhouse, in the framework of the energy saving and the environmental protection. The identified plant solutions include shading of glazing surfaces, natural ventilation by means of controlled opening windows, forced convection of external air and forced convection of air treated by the HVAC system for both heating and cooling. The selected solution combines HVAC system to a Ground Coupled Heat Pump (GCHP), which is an innovative renewable technology applied to greenhouse buildings. The energy demand and thermal loads of the greenhouse to fulfil the requested internal design conditions have been evaluated through an hourly numerical simulation, using the Energy Plus (E-plus) software. The overall heat balance of the greenhouse also includes the latent heat exchange due to crop evapotranspiration, accounted through an original iterative calculation procedure that combines the E-plus dynamic simulations and the FAO Penman-Monteith method. The obtained hourly thermal loads have been used to size the borehole field for the geothermal heat pump by using a dedicated GCHP hourly simulation tool.

  9. Nesting Large-Eddy Simulations Within Mesoscale Simulations for Wind Energy Applications

    NASA Astrophysics Data System (ADS)

    Lundquist, J. K.; Mirocha, J. D.; Chow, F. K.; Kosovic, B.; Lundquist, K. A.

    2008-12-01

    With increasing demand for more accurate atmospheric simulations for wind turbine micrositing, for operational wind power forecasting, and for more reliable turbine design, simulations of atmospheric flow with resolution of tens of meters or higher are required. These time-dependent large-eddy simulations (LES) account for complex terrain and resolve individual atmospheric eddies on length scales smaller than turbine blades. These small-domain high-resolution simulations are possible with a range of commercial and open- source software, including the Weather Research and Forecasting (WRF) model. In addition to "local" sources of turbulence within an LES domain, changing weather conditions outside the domain can also affect flow, suggesting that a mesoscale model provide boundary conditions to the large-eddy simulations. Nesting a large-eddy simulation within a mesoscale model requires nuanced representations of turbulence. Our group has improved the Weather and Research Forecating model's (WRF) LES capability by implementing the Nonlinear Backscatter and Anisotropy (NBA) subfilter stress model following Kosoviæ (1997) and an explicit filtering and reconstruction technique to compute the Resolvable Subfilter-Scale (RSFS) stresses (following Chow et al, 2005). We have also implemented an immersed boundary method (IBM) in WRF to accommodate complex terrain. These new models improve WRF's LES capabilities over complex terrain and in stable atmospheric conditions. We demonstrate approaches to nesting LES within a mesoscale simulation for farms of wind turbines in hilly regions. Results are sensitive to the nesting method, indicating that care must be taken to provide appropriate boundary conditions, and to allow adequate spin-up of turbulence in the LES domain. This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

  10. Simulation analysis of an outpatient services facility.

    PubMed

    Levy, J L; Watford, B A; Owen, V T

    1989-11-01

    Anderson Memorial Hospital in Anderson, South Carolina is in the process of constructing a new Outpatient Services Center. The Outpatient Services Center will combine existing outpatient services within the hospital and offsite services at the Outpatient Diagnostic Center. A simulation model of the proposed facility has been developed based on historical data. The information obtained from the simulation model includes the analysis of outpatient services utilization, patient waiting and flow times, and service area queue sizes. This information has been used to determine minimum facility design requirements, such as waiting room size, based on the expected demands.

  11. Terascale simulations for heavy ion inertial fusion energy

    SciTech Connect

    Friedman, A; Cohen, R H; Grote, D P; Sharp, W M; Celata, C M; Lee, E P; Vay, J-L; Davidson, R C; Kaganovich, I; Lee, W W; Qin, H; Welch, D R; Haber, I; Kishek, R A

    2000-06-08

    The intense ion beams in a heavy ion Inertial Fusion Energy (IFE) driver and fusion chamber are non-neutral plasmas whose dynamics are largely dominated by space charge. We propose to develop a ''source-to-target'' Heavy Ion Fusion (HIF) beam simulation capability: a description of the kinetic behavior of this complex, nonlinear system which is both integrated and detailed. We will apply this new capability to further our understanding of key scientific issues in the physics of ion beams for IFE. The simulations will entail self-consistent field descriptions that require interprocessor communication, but are scalable and will run efficiently on terascale architectures. This new capability will be based on the integration of three types of simulations, each requiring terascale computing: (1) simulations of acceleration and confinement of the space-charge-dominated ion beams through the driver (accelerator, pulse compression line, and final focusing system) which accurately describe their dynamics, including emittance growth (phase-space dilution) effects; these are particle-in-cell (PIC) models; (2) electromagnetic (EM) and magnetoinductive (Darwin) simulations which describe the beam and the fusion chamber environment, including multibeam, neutralization, stripping, beam and plasma ionization processes, and return current effects; and (3) highly detailed simulations (6f, multispecies PIC, continuum Vlasov), which can examine electron effects and collective modes in the driver and chamber, and can study halo generation with excellent statistics, to ensure that these effects do not disrupt the focusability of the beams. The code development will involve: (i) adaptation of existing codes to run efficiently on multi-SMP computers that use a hybrid of shared and distributed memory; (ii) development of new and improved numerical algorithms, e.g., averaging techniques that will afford larger timesteps; and (iii) incorporation of improved physics models (e.g., for self

  12. Developing Conservation Attitudes and Energy Concepts in Individuals of Various Cognitive Levels, Using the Energy Environment Simulator.

    ERIC Educational Resources Information Center

    Cartwright, Dennis D.; Heikkinen, Michael W.

    Reported is a study of the effectiveness of the Energy Environment Simulator (EES) in developing energy awareness and positive attitudes towards energy issues in students at various levels of cognitive development. The EES is a portable computer model of U.S. energy resources, environmental quality and food distribution. Subjects were students…

  13. Higher Order Mode Damping Simulation and Multipacting Analysis

    NASA Astrophysics Data System (ADS)

    Xiao, Liling

    2015-10-01

    When the beam is passing through an accelerator, it will generate higher order modes (HOM), which will affect to the beam quality especially in high energy accelerators such as International Linear accelerator Collider (ILC). In order to preserve the beam quality, HOM couplers are required to be installed to extract HOM power. Most of HOM couplers are 3D complex structures including small features. In addition, many physics process are involved in HOM coupler design such as RF heating and multipacting. Numerical modeling and simulation are essential for HOM coupler design and optimization for successful operation of high energy accelerators. SLAC developed 3D finite element parallel electromagnetics code suite ACE3P can be used to accelerator modeling with higher accuracy in fast turnaround time. In this paper, ACE3P application for HOM damping simulation and multipating analysis is presented for ILC 3.9 GHz crab cavity.

  14. Built Environment Energy Analysis Tool Overview (Presentation)

    SciTech Connect

    Porter, C.

    2013-04-01

    This presentation provides an overview of the Built Environment Energy Analysis Tool, which is designed to assess impacts of future land use/built environment patterns on transportation-related energy use and greenhouse gas (GHG) emissions. The tool can be used to evaluate a range of population distribution and urban design scenarios for 2030 and 2050. This tool was produced as part of the Transportation Energy Futures (TEF) project, a Department of Energy-sponsored multi-agency project initiated to pinpoint underexplored strategies for abating GHGs and reducing petroleum dependence related to transportation.

  15. Life cycle analysis of energy systems: Methods and experience

    SciTech Connect

    Morris, S.C.

    1992-01-01

    Fuel-cycle analysis if not the same as life-cycle analysis, although the focus on defining a comprehensive system for analysis leads toward the same path. This approach was the basis of the Brookhaven Reference Energy System. It provided a framework for summing total effects over an explicitly defined fuel cycle. This concept was computerized and coupled with an extensive data base in ESNS -- the Energy Systems Network Simulator. As an example, ESNS was the analytical basis for a comparison of health and environmental effects of several coal conversion technologies. With advances in computer systems and methods, however, ESNS has not been maintained at Brookhaven. The RES approach was one of the bases of the OECD COMPASS Project and the UNEP comparative assessment of environmental impacts of energy sources. An RES model alone has limitations in analyzing complex energy systems, e.g., it is difficult to handle feedback in the network. The most recent version of a series of optimization models is MARKAL, a dynamic linear programming model now used to assess strategies to reduce greenhouse gas emissions from the energy system. MARKAL creates an optimal set of reference energy systems over multiple time periods, automatically incorporating dynamic feedback and allowing fuel switching and end-use conservation to meet useful energy demands.

  16. Life cycle analysis of energy systems: Methods and experience

    SciTech Connect

    Morris, S.C.

    1992-08-01

    Fuel-cycle analysis if not the same as life-cycle analysis, although the focus on defining a comprehensive system for analysis leads toward the same path. This approach was the basis of the Brookhaven Reference Energy System. It provided a framework for summing total effects over an explicitly defined fuel cycle. This concept was computerized and coupled with an extensive data base in ESNS -- the Energy Systems Network Simulator. As an example, ESNS was the analytical basis for a comparison of health and environmental effects of several coal conversion technologies. With advances in computer systems and methods, however, ESNS has not been maintained at Brookhaven. The RES approach was one of the bases of the OECD COMPASS Project and the UNEP comparative assessment of environmental impacts of energy sources. An RES model alone has limitations in analyzing complex energy systems, e.g., it is difficult to handle feedback in the network. The most recent version of a series of optimization models is MARKAL, a dynamic linear programming model now used to assess strategies to reduce greenhouse gas emissions from the energy system. MARKAL creates an optimal set of reference energy systems over multiple time periods, automatically incorporating dynamic feedback and allowing fuel switching and end-use conservation to meet useful energy demands.

  17. Space conditioning performance analysis and simulation study

    NASA Astrophysics Data System (ADS)

    Patani, A.; Bonne, U.

    1981-07-01

    The engine driven heat pump model was expanded to incorporate an approach for evaluating the influence of cycling and systems included the sensitivity of performance to electric consumption, compressor speed, mixing, and climate. A modular program for evaluating the steady state performance of absorption heat pumps was developed. Initial simulations indicated performance trends as a function of outdoor temperature and the refrigerant absorber charge. The combustion heating system model, HFLAME, was used to simulate the benefits of fan/pump overrun and the dependence of corresponding setpoints on off period losses and electric costs. Benefits of fuel, fuel/air modulation as compared to cyclic performance were also analyzed. An energy distribution factor was defined to describe the effect of the distribution system on realizing savings of retrofits.

  18. Investigating the origin of high-energy cosmic-ray electrons with Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Attallah, R.

    2017-06-01

    Due to severe radiative energy losses during propagation, high-energy cosmic-ray electrons can reach Earth only from nearby sources. Although these sources clearly manifest themselves in the special features of the energy spectrum observed by recent space-borne experiments, especially the increase in the positron fraction, their exact nature is still a matter of debate. The standard method for interpreting cosmic-ray electron data consists in solving appropriate transport equations. It can be supplemented with a Monte Carlo approach taking advantage of the intrinsic random nature of cosmic-ray diffusive propagation. This analysis gives valuable information on the electron-by-electron fluctuations and hence allows to address the issue from a different angle. Here we show how to implement a fully three-dimensional time-dependent Monte Carlo simulation of the propagation of high-energy cosmic-ray electrons from nearby sources and discuss the “single-source” astrophysical scenario.

  19. Sensitivity Analysis of Multidisciplinary Rotorcraft Simulations

    NASA Technical Reports Server (NTRS)

    Wang, Li; Diskin, Boris; Biedron, Robert T.; Nielsen, Eric J.; Bauchau, Olivier A.

    2017-01-01

    A multidisciplinary sensitivity analysis of rotorcraft simulations involving tightly coupled high-fidelity computational fluid dynamics and comprehensive analysis solvers is presented and evaluated. An unstructured sensitivity-enabled Navier-Stokes solver, FUN3D, and a nonlinear flexible multibody dynamics solver, DYMORE, are coupled to predict the aerodynamic loads and structural responses of helicopter rotor blades. A discretely-consistent adjoint-based sensitivity analysis available in FUN3D provides sensitivities arising from unsteady turbulent flows and unstructured dynamic overset meshes, while a complex-variable approach is used to compute DYMORE structural sensitivities with respect to aerodynamic loads. The multidisciplinary sensitivity analysis is conducted through integrating the sensitivity components from each discipline of the coupled system. Numerical results verify accuracy of the FUN3D/DYMORE system by conducting simulations for a benchmark rotorcraft test model and comparing solutions with established analyses and experimental data. Complex-variable implementation of sensitivity analysis of DYMORE and the coupled FUN3D/DYMORE system is verified by comparing with real-valued analysis and sensitivities. Correctness of adjoint formulations for FUN3D/DYMORE interfaces is verified by comparing adjoint-based and complex-variable sensitivities. Finally, sensitivities of the lift and drag functions obtained by complex-variable FUN3D/DYMORE simulations are compared with sensitivities computed by the multidisciplinary sensitivity analysis, which couples adjoint-based flow and grid sensitivities of FUN3D and FUN3D/DYMORE interfaces with complex-variable sensitivities of DYMORE structural responses.

  20. Simulations of ultra-high-energy cosmic rays propagation

    SciTech Connect

    Kalashev, O. E.; Kido, E.

    2015-05-15

    We compare two techniques for simulation of the propagation of ultra-high-energy cosmic rays (UHECR) in intergalactic space: the Monte Carlo approach and a method based on solving transport equations in one dimension. For the former, we adopt the publicly available tool CRPropa and for the latter, we use the code TransportCR, which has been developed by the first author and used in a number of applications, and is made available online with publishing this paper. While the CRPropa code is more universal, the transport equation solver has the advantage of a roughly 100 times higher calculation speed. We conclude that the methods give practically identical results for proton or neutron primaries if some accuracy improvements are introduced to the CRPropa code.

  1. Gyrokinetic theory and simulation of turbulent energy exchange

    SciTech Connect

    Waltz, R. E.; Staebler, G. M.

    2008-01-15

    A previous gyrokinetic theory of turbulent heating [F. L. Hinton and R. E. Waltz, Phys. Plasma 13, 102301 (2006)] is simplified and extended to show that the local radial average of terms in the gyrokinetic turbulent heating (which survive in the drift kinetic limit) are actually closer to a turbulent energy exchange between electrons and ions. The integrated flow for the local exchange is simulated with the GYRO [J. Candy and R. E. Waltz, J. Comput. Phys. 186, 545 (2003)] delta-f gyrokinetic code and found to be small in a well studied DIII-D [M. A. Mahdavi and J. L. Luxon, ''DIII-D Tokamak Special Issue'' Fusion Sci. Technol. 48, 2 (2005)] L-mode discharge.

  2. Simulating Intense Ion Beams for Inertial Fusion Energy

    SciTech Connect

    Friedman, A

    2001-02-20

    The Heavy Ion Fusion (HIF) program's goal is the development of the body of knowledge needed for Inertial Fusion Energy (IFE) to realize its promise. The intense ion beams that will drive HIF targets are nonneutral plasmas and exhibit collective, nonlinear dynamics which must be understood using the kinetic models of plasma physics. This beam physics is both rich and subtle: a wide range in spatial and temporal scales is involved, and effects associated with both instabilities and non-ideal processes must be understood. Ion beams have a ''long memory'', and initialization of a beam at mid-system with an idealized particle distribution introduces uncertainties; thus, it will be crucial to develop, and to extensively use, an integrated and detailed ''source-to-target'' HIF beam simulation capability. We begin with an overview of major issues.

  3. Simulating Intense Ion Beams for Inertial Fusion Energy

    SciTech Connect

    Friedman, A.

    2001-02-20

    The Heavy Ion Fusion (HIF) program's goal is the development of the body of knowledge needed for Inertial Fusion Energy (IFE) to realize its promise. The intense ion beams that will drive HIF targets are rzonneutral plasmas and exhibit collective, nonlinear dynamics which must be understood using the kinetic models of plasma physics. This beam physics is both rich and subtle: a wide range in spatial and temporal scales is involved, and effects associated with both instabilities and non-ideal processes must be understood. Ion beams have a ''long memory,'' and initialization of a beam at mid-system with an idealized particle distribution introduces uncertainties; thus, it will be crucial to develop, and to extensively use, an integrated and detailed ''source-to-target'' HIF beam simulation capability. We begin with an overview of major issues.

  4. Monte Carlo simulations of systems with complex energy landscapes

    NASA Astrophysics Data System (ADS)

    Wüst, T.; Landau, D. P.; Gervais, C.; Xu, Y.

    2009-04-01

    Non-traditional Monte Carlo simulations are a powerful approach to the study of systems with complex energy landscapes. After reviewing several of these specialized algorithms we shall describe the behavior of typical systems including spin glasses, lattice proteins, and models for "real" proteins. In the Edwards-Anderson spin glass it is now possible to produce probability distributions in the canonical ensemble and thermodynamic results of high numerical quality. In the hydrophobic-polar (HP) lattice protein model Wang-Landau sampling with an improved move set (pull-moves) produces results of very high quality. These can be compared with the results of other methods of statistical physics. A more realistic membrane protein model for Glycophorin A is also examined. Wang-Landau sampling allows the study of the dimerization process including an elucidation of the nature of the process.

  5. Techniques in micromagnetic simulation and analysis

    NASA Astrophysics Data System (ADS)

    Kumar, D.; Adeyeye, A. O.

    2017-08-01

    Advances in nanofabrication now allow us to manipulate magnetic material at micro- and nanoscales. As the steps of design, modelling and simulation typically precede that of fabrication, these improvements have also granted a significant boost to the methods of micromagnetic simulations (MSs) and analyses. The increased availability of massive computational resources has been another major contributing factor. Magnetization dynamics at micro- and nanoscale is described by the Landau-Lifshitz-Gilbert (LLG) equation, which is an ordinary differential equation (ODE) in time. Several finite difference method (FDM) and finite element method (FEM) based LLG solvers are now widely use to solve different kind of micromagnetic problems. In this review, we present a few patterns in the ways MSs are being used in the pursuit of new physics. An important objective of this review is to allow one to make a well informed decision on the details of simulation and analysis procedures needed to accomplish a given task using computational micromagnetics. We also examine the effect of different simulation parameters to underscore and extend some best practices. Lastly, we examine different methods of micromagnetic analyses which are used to process simulation results in order to extract physically meaningful and valuable information.

  6. Energy landscape of LeuT from molecular simulations

    NASA Astrophysics Data System (ADS)

    Gur, Mert; Zomot, Elia; Cheng, Mary Hongying; Bahar, Ivet

    2015-12-01

    The bacterial sodium-coupled leucine transporter (LeuT) has been broadly used as a structural model for understanding the structure-dynamics-function of mammalian neurotransmitter transporters as well as other solute carriers that share the same fold (LeuT fold), as the first member of the family crystallographically resolved in multiple states: outward-facing open, outward-facing occluded, and inward-facing open. Yet, a complete picture of the energy landscape of (sub)states visited along the LeuT transport cycle has been elusive. In an attempt to visualize the conformational spectrum of LeuT, we performed extensive simulations of LeuT dimer dynamics in the presence of substrate (Ala or Leu) and co-transported Na+ ions, in explicit membrane and water. We used both conventional molecular dynamics (MD) simulations (with Anton supercomputing machine) and a recently introduced method, collective MD, that takes advantage of collective modes of motions predicted by the anisotropic network model. Free energy landscapes constructed based on ˜40 μs trajectories reveal multiple substates occluded to the extracellular (EC) and/or intracellular (IC) media, varying in the levels of exposure of LeuT to EC or IC vestibules. The IC-facing transmembrane (TM) helical segment TM1a shows an opening, albeit to a smaller extent and in a slightly different direction than that observed in the inward-facing open crystal structure. The study provides insights into the spectrum of conformational substates and paths accessible to LeuT and highlights the differences between Ala- and Leu-bound substates.

  7. Energy landscape of LeuT from molecular simulations.

    PubMed

    Gur, Mert; Zomot, Elia; Cheng, Mary Hongying; Bahar, Ivet

    2015-12-28

    The bacterial sodium-coupled leucine transporter (LeuT) has been broadly used as a structural model for understanding the structure-dynamics-function of mammalian neurotransmitter transporters as well as other solute carriers that share the same fold (LeuT fold), as the first member of the family crystallographically resolved in multiple states: outward-facing open, outward-facing occluded, and inward-facing open. Yet, a complete picture of the energy landscape of (sub)states visited along the LeuT transport cycle has been elusive. In an attempt to visualize the conformational spectrum of LeuT, we performed extensive simulations of LeuT dimer dynamics in the presence of substrate (Ala or Leu) and co-transported Na(+) ions, in explicit membrane and water. We used both conventional molecular dynamics (MD) simulations (with Anton supercomputing machine) and a recently introduced method, collective MD, that takes advantage of collective modes of motions predicted by the anisotropic network model. Free energy landscapes constructed based on ∼40 μs trajectories reveal multiple substates occluded to the extracellular (EC) and/or intracellular (IC) media, varying in the levels of exposure of LeuT to EC or IC vestibules. The IC-facing transmembrane (TM) helical segment TM1a shows an opening, albeit to a smaller extent and in a slightly different direction than that observed in the inward-facing open crystal structure. The study provides insights into the spectrum of conformational substates and paths accessible to LeuT and highlights the differences between Ala- and Leu-bound substates.

  8. Energy landscape of LeuT from molecular simulations

    PubMed Central

    Gur, Mert; Zomot, Elia; Cheng, Mary Hongying; Bahar, Ivet

    2015-01-01

    The bacterial sodium-coupled leucine transporter (LeuT) has been broadly used as a structural model for understanding the structure-dynamics-function of mammalian neurotransmitter transporters as well as other solute carriers that share the same fold (LeuT fold), as the first member of the family crystallographically resolved in multiple states: outward-facing open, outward-facing occluded, and inward-facing open. Yet, a complete picture of the energy landscape of (sub)states visited along the LeuT transport cycle has been elusive. In an attempt to visualize the conformational spectrum of LeuT, we performed extensive simulations of LeuT dimer dynamics in the presence of substrate (Ala or Leu) and co-transported Na+ ions, in explicit membrane and water. We used both conventional molecular dynamics (MD) simulations (with Anton supercomputing machine) and a recently introduced method, collective MD, that takes advantage of collective modes of motions predicted by the anisotropic network model. Free energy landscapes constructed based on ∼40 μs trajectories reveal multiple substates occluded to the extracellular (EC) and/or intracellular (IC) media, varying in the levels of exposure of LeuT to EC or IC vestibules. The IC-facing transmembrane (TM) helical segment TM1a shows an opening, albeit to a smaller extent and in a slightly different direction than that observed in the inward-facing open crystal structure. The study provides insights into the spectrum of conformational substates and paths accessible to LeuT and highlights the differences between Ala- and Leu-bound substates. PMID:26723619

  9. Whole-House Energy Analysis Procedures for Existing Homes: Preprint

    SciTech Connect

    Hendron, R.

    2006-08-01

    This paper describes a proposed set of guidelines for analyzing the energy savings achieved by a package of retrofits or an extensive rehabilitation of an existing home. It also describes certain field test and audit methods that can help establish accurate building system performance characteristics that are needed for a meaningful simulation of whole-house energy use. Several sets of default efficiency values have been developed for older appliances that cannot be easily tested and for which published specifications are not readily available. These proposed analysis procedures are documented more comprehensively in NREL Technical Report TP-550-38238.

  10. 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.

  11. 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.

  12. Simulation of the peak-shifting potential of thermal-energy-storage systems for residences in the TVA region

    NASA Astrophysics Data System (ADS)

    Johnson, R.

    1982-02-01

    The simulation and analysis of the load shifting potential of a phase change thermal energy storage (TES) system are described. The interrelationships between peak demand shifting, total energy consumption, and electric utility/customer benefits are explored. Peak shifting criteria are discussed. Possible load management strategies for operating the TES system for residential applications are outlined, and various modes of operation are simulated. Histograms of the time of day average electrical demand over a heating session are presented; and the results of the simulations are analyzed for peak shifting capabilities and total energy consumption, and are compared to resistive heating and heat pump base cases. The performance characteristics of three heat pump/resistive element/phase change material (PCM) storage configurations are studied and evaluated. Results indicate that the load shifting capability of thermal energy storage systems could come at the expense of total energy consumption if the system is not carefully configured.

  13. Summary of: Simulating the Value of Concentrating Solar Power with Thermal Energy Storage in a Production Cost Model (Presentation)

    SciTech Connect

    Denholm, P.; Hummon, M.

    2013-02-01

    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.

  14. NREL's Field Data Repository Supports Accurate Home Energy Analysis (Fact Sheet)

    SciTech Connect

    None, None

    2012-02-01

    This fact sheet discusses NREL's work to develop a repository of research-level residential building characteristics and historical energy use data to support ongoing efforts to improve the accuracy of residential energy analysis tools and the efficiency of energy assessment processes. The objective of this project is to create a robust empirical data source to support the research goals of the Department of Energy's Building America program, which is to improve the efficiency of existing U.S. homes by 30% to 50%. Researchers can use this data source to test the accuracy of building energy simulation software and energy audit procedures, ultimately leading to more credible and less expensive energy analysis.

  15. A virtual laboratory for the simulation of sustainable energy systems in a low energy building: A case study

    NASA Astrophysics Data System (ADS)

    Breen, M.; O'Donovan, A.; Murphy, M. D.; Delaney, F.; Hill, M.; Sullivan, P. D. O.

    2016-03-01

    The aim of this paper was to develop a virtual laboratory simulation platform of the National Building Retrofit Test-bed at the Cork Institute of Technology, Ireland. The building in question is a low-energy retrofit which is provided with electricity by renewable systems including photovoltaics and wind. It can be thought of as a living laboratory, as a number of internal and external building factors are recorded at regular intervals during human occupation. The analysis carried out in this paper demonstrated that, for the period from April to September 2015, the electricity provided by the renewable systems did not consistently match the building’s electricity requirements due to differing load profiles. It was concluded that the use of load shifting techniques may help to increase the percentage of renewable energy utilisation.

  16. Image Correlation: Part 1. Simulation and Analysis

    DTIC Science & Technology

    1976-11-01

    prepared for UNITED STATES AIR FORCE PROJECT RAND D D Or,• Illnel lSANT Dr-- CA. 90 ft M A R . . . . . -- a .02 .0. The research described In this...Analysis, Deputy Chief of Staff, Research and Development, Hq USAF. Reports of The Rand Corporation do not necessarily reflect the opinions or policies of...the sponsors of Rand research , 4. . . , * R-2057/1-PR Novem-ber 1976 Image Correlation: Part I Simulation and Analysis H. H. Bailey, F. W. Blackwell

  17. Effective Energy Simulation and Optimal Design of Side-lit Buildings with Venetian Blinds

    NASA Astrophysics Data System (ADS)

    Cheng, Tian

    Venetian blinds are popularly used in buildings to control the amount of incoming daylight for improving visual comfort and reducing heat gains in air-conditioning systems. Studies have shown that the proper design and operation of window systems could result in significant energy savings in both lighting and cooling. However, there is no convenient computer tool that allows effective and efficient optimization of the envelope of side-lit buildings with blinds now. Three computer tools, Adeline, DOE2 and EnergyPlus widely used for the above-mentioned purpose have been experimentally examined in this study. Results indicate that the two former tools give unacceptable accuracy due to unrealistic assumptions adopted while the last one may generate large errors in certain conditions. Moreover, current computer tools have to conduct hourly energy simulations, which are not necessary for life-cycle energy analysis and optimal design, to provide annual cooling loads. This is not computationally efficient, particularly not suitable for optimal designing a building at initial stage because the impacts of many design variations and optional features have to be evaluated. A methodology is therefore developed for efficient and effective thermal and daylighting simulations and optimal design of buildings with blinds. Based on geometric optics and radiosity method, a mathematical model is developed to reasonably simulate the daylighting behaviors of venetian blinds. Indoor illuminance at any reference point can be directly and efficiently computed. They have been validated with both experiments and simulations with Radiance. Validation results show that indoor illuminances computed by the new models agree well with the measured data, and the accuracy provided by them is equivalent to that of Radiance. The computational efficiency of the new models is much higher than that of Radiance as well as EnergyPlus. Two new methods are developed for the thermal simulation of buildings. A

  18. Parabolic trough collector power plant performance simulation for an interactive solar energy Atlas of Saudi Arabia

    NASA Astrophysics Data System (ADS)

    Ibarra, Mercedes; Frasquet, Miguel; Al Rished, Abdulaziz; Tuomiranta, Arttu; Gasim, Sami; Ghedira, Hosni

    2016-05-01

    The collaboration between the Research Center for Renewable Energy Mapping and Assessment (ReCREMA) at Masdar Institute of Science and Technology and the King Abdullah City for Atomic & Renewable Energy (KACARE) aims to create an interactive web tool integrated in the Renewable Resource Atlas where different solar thermal electricity (STE) utility-scale technologies will be simulated. In this paper, a methodology is presented for sizing and performance simulation of the solar field of parabolic trough collector (PTC) plants. The model is used for a case study analysis of the potential of STE in three sites located in the central, western, and eastern parts of Saudi Arabia. The plant located in the north (Tayma) has the lowest number of collectors with the best production along the year.

  19. 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.

  20. Strategic Plan for Nuclear Energy -- Knowledge Base for Advanced Modeling and Simulation (NE-KAMS)

    SciTech Connect

    Kimberlyn C. Mousseau

    2011-10-01

    The Nuclear Energy Computational Fluid Dynamics Advanced Modeling and Simulation (NE-CAMS) system is being developed at the Idaho National Laboratory (INL) in collaboration with Bettis Laboratory, Sandia National Laboratory (SNL), Argonne National Laboratory (ANL), Utah State University (USU), and other interested parties with the objective of developing and implementing a comprehensive and readily accessible data and information management system for computational fluid dynamics (CFD) verification and validation (V&V) in support of nuclear energy systems design and safety analysis. The two key objectives of the NE-CAMS effort are to identify, collect, assess, store and maintain high resolution and high quality experimental data and related expert knowledge (metadata) for use in CFD V&V assessments specific to the nuclear energy field and to establish a working relationship with the U.S. Nuclear Regulatory Commission (NRC) to develop a CFD V&V database, including benchmark cases, that addresses and supports the associated NRC regulations and policies on the use of CFD analysis. In particular, the NE-CAMS system will support the Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program, which aims to develop and deploy advanced modeling and simulation methods and computational tools for reliable numerical simulation of nuclear reactor systems for design and safety analysis. Primary NE-CAMS Elements There are four primary elements of the NE-CAMS knowledge base designed to support computer modeling and simulation in the nuclear energy arena as listed below. Element 1. The database will contain experimental data that can be used for CFD validation that is relevant to nuclear reactor and plant processes, particularly those important to the nuclear industry and the NRC. Element 2. Qualification standards for data evaluation and classification will be incorporated and applied such that validation data sets will result in well

  1. 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.

  2. Magnetic properties and energy-mapping analysis.

    PubMed

    Xiang, Hongjun; Lee, Changhoon; Koo, Hyun-Joo; Gong, Xingao; Whangbo, Myung-Hwan

    2013-01-28

    The magnetic energy levels of a given magnetic solid are closely packed in energy because the interactions between magnetic ions are weak. Thus, in describing its magnetic properties, one needs to generate its magnetic energy spectrum by employing an appropriate spin Hamiltonian. In this review article we discuss how to determine and specify a necessary spin Hamiltonian in terms of first principles electronic structure calculations on the basis of energy-mapping analysis and briefly survey important concepts and phenomena that one encounters in reading the current literature on magnetic solids. Our discussion is given on a qualitative level from the perspective of magnetic energy levels and electronic structures. The spin Hamiltonian appropriate for a magnetic system should be based on its spin lattice, i.e., the repeat pattern of its strong magnetic bonds (strong spin exchange paths), which requires one to evaluate its Heisenberg spin exchanges on the basis of energy-mapping analysis. Other weaker energy terms such as Dzyaloshinskii-Moriya (DM) spin exchange and magnetocrystalline anisotropy energies, which a spin Hamiltonian must include in certain cases, can also be evaluated by performing energy-mapping analysis. We show that the spin orientation of a transition-metal magnetic ion can be easily explained by considering its split d-block levels as unperturbed states with the spin-orbit coupling (SOC) as perturbation, that the DM exchange between adjacent spin sites can become comparable in strength to the Heisenberg spin exchange when the two spin sites are not chemically equivalent, and that the DM interaction between rare-earth and transition-metal cations is governed largely by the magnetic orbitals of the rare-earth cation.

  3. Simulations of the Fe Kα Energy Spectra from Gravitationally Microlensed Quasars

    NASA Astrophysics Data System (ADS)

    Krawczynski, H.; Chartas, G.

    2017-07-01

    The analysis of the Chandra X-ray observations of the gravitationally lensed quasar RX J1131-1231 revealed the detection of multiple and energy-variable spectral peaks. The spectral variability is thought to result from the microlensing of the Fe Kα emission, selectively amplifying the emission from certain regions of the accretion disk with certain effective frequency shifts of the Fe Kα line emission. In this paper, we combine detailed simulations of the emission of Fe Kα photons from the accretion disk of a Kerr black hole with calculations of the effect of gravitational microlensing on the observed energy spectra. The simulations show that microlensing can indeed produce multiply peaked energy spectra. We explore the dependence of the spectral characteristics on black hole spin, accretion disk inclination, corona height, and microlensing amplification factor and show that the measurements can be used to constrain these parameters. We find that the range of observed spectral peak energies of QSO RX J1131-1231 can only be reproduced for black hole inclinations exceeding 70° and for lamppost corona heights of less than 30 gravitational radii above the black hole. We conclude by emphasizing the scientific potential of studies of the microlensed Fe Kα quasar emission and the need for more detailed modeling that explores how the results change for more realistic accretion disk and corona geometries and microlensing magnification patterns. A full analysis should furthermore model the signal-to-noise ratio of the observations and the resulting detection biases.

  4. 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.

  5. Uncertainty analysis of geothermal energy economics

    NASA Astrophysics Data System (ADS)

    Sener, Adil Caner

    This dissertation research endeavors to explore geothermal energy economics by assessing and quantifying the uncertainties associated with the nature of geothermal energy and energy investments overall. The study introduces a stochastic geothermal cost model and a valuation approach for different geothermal power plant development scenarios. The Monte Carlo simulation technique is employed to obtain probability distributions of geothermal energy development costs and project net present values. In the study a stochastic cost model with incorporated dependence structure is defined and compared with the model where random variables are modeled as independent inputs. One of the goals of the study is to attempt to shed light on the long-standing modeling problem of dependence modeling between random input variables. The dependence between random input variables will be modeled by employing the method of copulas. The study focuses on four main types of geothermal power generation technologies and introduces a stochastic levelized cost model for each technology. Moreover, we also compare the levelized costs of natural gas combined cycle and coal-fired power plants with geothermal power plants. The input data used in the model relies on the cost data recently reported by government agencies and non-profit organizations, such as the Department of Energy, National Laboratories, California Energy Commission and Geothermal Energy Association. The second part of the study introduces the stochastic discounted cash flow valuation model for the geothermal technologies analyzed in the first phase. In this phase of the study, the Integrated Planning Model (IPM) software was used to forecast the revenue streams of geothermal assets under different price and regulation scenarios. These results are then combined to create a stochastic revenue forecast of the power plants. The uncertainties in gas prices and environmental regulations will be modeled and their potential impacts will be

  6. Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads

    PubMed Central

    Stone, John E.; Hallock, Michael J.; Phillips, James C.; Peterson, Joseph R.; Luthey-Schulten, Zaida; Schulten, Klaus

    2016-01-01

    Many of the continuing scientific advances achieved through computational biology are predicated on the availability of ongoing increases in computational power required for detailed simulation and analysis of cellular processes on biologically-relevant timescales. A critical challenge facing the development of future exascale supercomputer systems is the development of new computing hardware and associated scientific applications that dramatically improve upon the energy efficiency of existing solutions, while providing increased simulation, analysis, and visualization performance. Mobile computing platforms have recently become powerful enough to support interactive molecular visualization tasks that were previously only possible on laptops and workstations, creating future opportunities for their convenient use for meetings, remote collaboration, and as head mounted displays for immersive stereoscopic viewing. We describe early experiences adapting several biomolecular simulation and analysis applications for emerging heterogeneous computing platforms that combine power-efficient system-on-chip multi-core CPUs with high-performance massively parallel GPUs. We present low-cost power monitoring instrumentation that provides sufficient temporal resolution to evaluate the power consumption of individual CPU algorithms and GPU kernels. We compare the performance and energy efficiency of scientific applications running on emerging platforms with results obtained on traditional platforms, identify hardware and algorithmic performance bottlenecks that affect the usability of these platforms, and describe avenues for improving both the hardware and applications in pursuit of the needs of molecular modeling tasks on mobile devices and future exascale computers. PMID:27516922

  7. Evaluation of Emerging Energy-Efficient Heterogeneous Computing Platforms for Biomolecular and Cellular Simulation Workloads.

    PubMed

    Stone, John E; Hallock, Michael J; Phillips, James C; Peterson, Joseph R; Luthey-Schulten, Zaida; Schulten, Klaus

    2016-05-01

    Many of the continuing scientific advances achieved through computational biology are predicated on the availability of ongoing increases in computational power required for detailed simulation and analysis of cellular processes on biologically-relevant timescales. A critical challenge facing the development of future exascale supercomputer systems is the development of new computing hardware and associated scientific applications that dramatically improve upon the energy efficiency of existing solutions, while providing increased simulation, analysis, and visualization performance. Mobile computing platforms have recently become powerful enough to support interactive molecular visualization tasks that were previously only possible on laptops and workstations, creating future opportunities for their convenient use for meetings, remote collaboration, and as head mounted displays for immersive stereoscopic viewing. We describe early experiences adapting several biomolecular simulation and analysis applications for emerging heterogeneous computing platforms that combine power-efficient system-on-chip multi-core CPUs with high-performance massively parallel GPUs. We present low-cost power monitoring instrumentation that provides sufficient temporal resolution to evaluate the power consumption of individual CPU algorithms and GPU kernels. We compare the performance and energy efficiency of scientific applications running on emerging platforms with results obtained on traditional platforms, identify hardware and algorithmic performance bottlenecks that affect the usability of these platforms, and describe avenues for improving both the hardware and applications in pursuit of the needs of molecular modeling tasks on mobile devices and future exascale computers.

  8. 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.

  9. Computer simulation of energy use, greenhouse gas emissions, and process economics of the fluid milk process.

    PubMed

    Tomasula, P M; Yee, W C F; McAloon, A J; Nutter, D W; Bonnaillie, L M

    2013-05-01

    Energy-savings measures have been implemented in fluid milk plants to lower energy costs and the energy-related carbon dioxide (CO2) emissions. Although these measures have resulted in reductions in steam, electricity, compressed air, and refrigeration use of up to 30%, a benchmarking framework is necessary to examine the implementation of process-specific measures that would lower energy use, costs, and CO2 emissions even further. In this study, using information provided by the dairy industry and equipment vendors, a customizable model of the fluid milk process was developed for use in process design software to benchmark the electrical and fuel energy consumption and CO2 emissions of current processes. It may also be used to test the feasibility of new processing concepts to lower energy and CO2 emissions with calculation of new capital and operating costs. The accuracy of the model in predicting total energy usage of the entire fluid milk process and the pasteurization step was validated using available literature and industry energy data. Computer simulation of small (40.0 million L/yr), medium (113.6 million L/yr), and large (227.1 million L/yr) processing plants predicted the carbon footprint of milk, defined as grams of CO2 equivalents (CO2e) per kilogram of packaged milk, to within 5% of the value of 96 g of CO 2e/kg of packaged milk obtained in an industry-conducted life cycle assessment and also showed, in agreement with the same study, that plant size had no effect on the carbon footprint of milk but that larger plants were more cost effective in producing milk. Analysis of the pasteurization step showed that increasing the percentage regeneration of the pasteurizer from 90 to 96% would lower its thermal energy use by almost 60% and that implementation of partial homogenization would lower electrical energy use and CO2e emissions of homogenization by 82 and 5.4%, respectively. It was also demonstrated that implementation of steps to lower non

  10. 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.

  11. 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.

  12. Computational Analysis of Energy Pooling to Harvest Low-Energy Solar Energy in Organic Photovoltaic Devices

    NASA Astrophysics Data System (ADS)

    Lacount, Michael; Shaheen, Sean; Rumbles, Garry; van de Lagemaat, Jao; Hu, Nan; Ostrowski, Dave; Lusk, Mark

    2014-03-01

    Current photovoltaic energy conversions do not typically utilize low energy sunlight absorption, leaving large sections of the solar spectrum untapped. It is possible, though, to absorb such radiation, generating low-energy excitons, and then pool them to create higher energy excitons, which can result in an increase in efficiency. Calculation of the rates at which such upconversion processes occur requires an accounting of all possible molecular quantum electrodynamics (QED) pathways. There are two paths associated with the upconversion. The cooperative mechanism involves a three-body interaction in which low energy excitons are transferred sequentially onto an acceptor molecule. The accretive pathway, requires that an exciton transfer its energy to a second exciton that subsequently transfers its energy to the acceptor molecule. We have computationally modeled both types of molecular QED obtaining rates using a combination of DFT and many-body Green function theory. The simulation platform is exercised by considering upconversion events associated with material composed of a high energy absorbing core of hexabenzocoronene (HBC) and low energy absorbing arms of oligothiophene. In addition, we make estimates for all competing processes in order to judge the relative efficiencies of these two processes.

  13. Impact of the U.S. National Building Information Model Standard (NBIMS) on Building Energy Performance Simulation

    SciTech Connect

    Bazjanac, Vladimir

    2007-08-01

    The U.S. National Institute for Building Sciences (NIBS) started the development of the National Building Information Model Standard (NBIMS). Its goal is to define standard sets of data required to describe any given building in necessary detail so that any given AECO industry discipline application can find needed data at any point in the building lifecycle. This will include all data that are used in or are pertinent to building energy performance simulation and analysis. This paper describes the background that lead to the development of NBIMS, its goals and development methodology, its Part 1 (Version 1.0), and its probable impact on building energy performance simulation and analysis.

  14. Simulation of energy absorption spectrum in NaI crystal detector for multiple gamma energy using Monte Carlo method

    SciTech Connect

    Wirawan, Rahadi; Waris, Abdul; Djamal, Mitra; Handayani, Gunawan

    2015-04-16

    The spectrum of gamma energy absorption in the NaI crystal (scintillation detector) is the interaction result of gamma photon with NaI crystal, and it’s associated with the photon gamma energy incoming to the detector. Through a simulation approach, we can perform an early observation of gamma energy absorption spectrum in a scintillator crystal detector (NaI) before the experiment conducted. In this paper, we present a simulation model result of gamma energy absorption spectrum for energy 100-700 keV (i.e. 297 keV, 400 keV and 662 keV). This simulation developed based on the concept of photon beam point source distribution and photon cross section interaction with the Monte Carlo method. Our computational code has been successfully predicting the multiple energy peaks absorption spectrum, which derived from multiple photon energy sources.

  15. Analysis of the interrelationship of energy, economy, and environment: A model of a sustainable energy future for Korea

    NASA Astrophysics Data System (ADS)

    Boo, Kyung-Jin

    The primary purpose of this dissertation is to provide the groundwork for a sustainable energy future in Korea. For this purpose, a conceptual framework of sustainable energy development was developed to provide a deeper understanding of interrelationships between energy, the economy, and the environment (E 3). Based on this theoretical work, an empirical simulation model was developed to investigate the ways in which E3 interact. This dissertation attempts to develop a unified concept of sustainable energy development by surveying multiple efforts to integrate various definitions of sustainability. Sustainable energy development should be built on the basis of three principles: ecological carrying capacity, economic efficiency, and socio-political equity. Ecological carrying capacity delineates the earth's resource constraints as well as its ability to assimilate wastes. Socio-political equity implies an equitable distribution of the benefits and costs of energy consumption and an equitable distribution of environmental burdens. Economic efficiency dictates efficient allocation of scarce resources. The simulation model is composed of three modules: an energy module, an environmental module and an economic module. Because the model is grounded on economic structural behaviorism, the dynamic nature of the current economy is effectively depicted and simulated through manipulating exogenous policy variables. This macro-economic model is used to simulate six major policy intervention scenarios. Major findings from these policy simulations were: (1) carbon taxes are the most effective means of reducing air-pollutant emissions; (2) sustainable energy development can be achieved through reinvestment of carbon taxes into energy efficiency and renewable energy programs; and (3) carbon taxes would increase a nation's welfare if reinvested in relevant areas. The policy simulation model, because it is based on neoclassical economics, has limitations such that it cannot fully

  16. Strategic Mobility 21: Modeling, Simulation, and Analysis

    DTIC Science & Technology

    2010-04-14

    Womack & Jones of the Lean Enterprise Institute (LEI) 3 . In our initial use of this methodology with Dole Foods, there were over five organizations...energy. The Value Stream Analysis Future State then designed Kaizens 3 Value Stream Mapping...principles described in this report are excerpted from ―Learning To See‖ written by James Womack & Dan Jones of the Lean Enterprise Institute (LEI). 7

  17. OASIS - ORBIT ANALYSIS AND SIMULATION SOFTWARE

    NASA Technical Reports Server (NTRS)

    Wu, S. C.

    1994-01-01

    The Orbit Analysis and Simulation Software, OASIS, is a software system developed for covariance and simulation analyses of problems involving earth satellites, especially the Global Positioning System (GPS). It provides a flexible, versatile and efficient accuracy analysis tool for earth satellite navigation and GPS-based geodetic studies. To make future modifications and enhancements easy, the system is modular, with five major modules: PATH/VARY, REGRES, PMOD, FILTER/SMOOTHER, and OUTPUT PROCESSOR. PATH/VARY generates satellite trajectories. Among the factors taken into consideration are: 1) the gravitational effects of the planets, moon and sun; 2) space vehicle orientation and shapes; 3) solar pressure; 4) solar radiation reflected from the surface of the earth; 5) atmospheric drag; and 6) space vehicle gas leaks. The REGRES module reads the user's input, then determines if a measurement should be made based on geometry and time. PMOD modifies a previously generated REGRES file to facilitate various analysis needs. FILTER/SMOOTHER is especially suited to a multi-satellite precise orbit determination and geodetic-type problems. It can be used for any situation where parameters are simultaneously estimated from measurements and a priori information. Examples of nonspacecraft areas of potential application might be Very Long Baseline Interferometry (VLBI) geodesy and radio source catalogue studies. OUTPUT PROCESSOR translates covariance analysis results generated by FILTER/SMOOTHER into user-desired easy-to-read quantities, performs mapping of orbit covariances and simulated solutions, transforms results into different coordinate systems, and computes post-fit residuals. The OASIS program was developed in 1986. It is designed to be implemented on a DEC VAX 11/780 computer using VAX VMS 3.7 or higher. It can also be implemented on a Micro VAX II provided sufficient disk space is available.

  18. Analysis on energy efficiency in healthcare buildings.

    PubMed

    García-Sanz-Calcedo, Justo

    2014-01-01

    The aim of this paper is to analyze and quantify the average healthcare centres' energy behavior and estimate the possibilities of savings through the use of concrete measures to reduce their energy demand in Extremadura, Spain. It provides the average energy consumption of 55 healthcare centres sized between 500 and 3,500 m². The analysis evaluated data of electricity and fossil fuel energy consumption as well as water use and other energy-consuming devices. The energy solutions proposed to improve the efficiency are quantified and listed. The average annual energy consumption of a healthcare centre is 86.01 kWh/m², with a standard deviation of 16.8 kWh/m². The results show that an annual savings of €4.77/m² is possible. The potential to reduce the energy consumption of a healthcare centre of size 1,000 m² is 10,801 kWh by making an average investment of €11,601, thus saving €2,961/year with an average payback of 3.92 years.

  19. Review of simulation techniques for aquifer thermal energy storage (ATES)

    SciTech Connect

    Mercer, J.W.; Faust, C.R.; Miller, W.J.; Pearson, F.J. Jr.

    1981-03-01

    The storage of thermal energy in aquifers has recently received considerable attention as a means to conserve and more efficiently use energy supplies. The analysis of aquifer thermal energy storage (ATES) systems will rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES was reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities. Model development can then proceed with the expectation of an adequate data base existing for the model's eventual use. Review of model applications to ATES shows that the major emphasis has been on generic sensitivity analysis and site characterization. Assuming that models are applied appropriately, the primary limitation on model calculations is the data base used to construct the model. Numerical transport models are limited by the uncertainty of subsurface data and the lack of long-term historical data for calibration. Geochemical models are limited by the lack of thermodynamic data for the temperature ranges applicable to ATES. Model applications undertaken with data collection activities on ATES sites should provide the most important contributions to the understanding and utilization of ATES. Therefore, the primary conclusion of this review is that model application to field sites in conjunction with data collection activities is essential to the development of this technology.

  20. 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

  1. 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

  2. A simulation model for wind energy storage systems. Volume 1: Technical report

    NASA Technical Reports Server (NTRS)

    Warren, A. W.; Edsinger, R. W.; Chan, Y. K.

    1977-01-01

    A comprehensive computer program for the modeling of wind energy and storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic) was developed. The level of detail of Simulation Model for Wind Energy Storage (SIMWEST) is consistent with a role of evaluating the economic feasibility as well as the general performance of wind energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. The first program is a precompiler which generates computer models (in FORTRAN) of complex wind source storage application systems, from user specifications using the respective library components. The second program provides the techno-economic system analysis with the respective I/O, the integration of systems dynamics, and the iteration for conveyance of variables. SIMWEST program, as described, runs on the UNIVAC 1100 series computers.

  3. Expand the Modeling Capabilities of DOE's EnergyPlus Building Energy Simulation Program

    SciTech Connect

    Don Shirey

    2008-02-28

    EnergyPlus{trademark} 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. Version 1.0 of EnergyPlus was released in April 2001, followed by semiannual updated versions over the ensuing seven-year period. This report summarizes work performed by the University of Central Florida's Florida Solar Energy Center (UCF/FSEC) to expand the modeling capabilities of EnergyPlus. The project tasks involved implementing, testing, and documenting the following new features or enhancement of existing features: (1) A model for packaged terminal heat pumps; (2) A model for gas engine-driven heat pumps with waste heat recovery; (3) Proper modeling of window screens; (4) Integrating and streamlining EnergyPlus air flow modeling capabilities; (5) Comfort-based controls for cooling and heating systems; and (6) An improved model for microturbine power generation with heat recovery. UCF/FSEC located existing mathematical models or generated new model for these features and incorporated them into EnergyPlus. The existing or new models were (re)written using Fortran 90/95 programming language and were integrated within EnergyPlus in accordance with the EnergyPlus Programming Standard and Module Developer's Guide. Each model/feature was thoroughly tested and identified errors were repaired. Upon completion of each model implementation, the existing EnergyPlus documentation (e.g., Input Output Reference and Engineering Document) was updated with information describing the new or enhanced feature. Reference data sets were generated for several of the features to aid program users in selecting proper model inputs. An

  4. Delight2 Daylighting Analysis in Energy Plus: Integration and Preliminary User Results

    SciTech Connect

    Carroll, William L.; Hitchcock, Robert J.

    2005-04-26

    DElight is a simulation engine for daylight and electric lighting system analysis in buildings. DElight calculates interior illuminance levels from daylight, and the subsequent contribution required from electric lighting to meet a desired interior illuminance. DElight has been specifically designed to integrate with building thermal simulation tools. This paper updates the DElight capability set, the status of integration into the simulation tool EnergyPlus, and describes a sample analysis of a simple model from the user perspective.

  5. Portfolio Analysis of Renewable Energy Opportunities: Preprint

    SciTech Connect

    Richards, Allison; Deprizio, Jodi; Anderson, Kate; DiOrio, Nick; Elgqvist, Emma; Simpkins, Travis

    2016-11-01

    Time Warner Cable (TWC), now Charter Communications (CC), partnered with the National Renewable Energy Laboratory (NREL) to assess the technical and economic potential for solar photovoltaic (PV), wind, and ground-source heat-pump systems at 696 TWC facilities. NREL identified 306 sites where adding a renewable energy system would provide cost savings over the project life-cycle. In general, the top sites have some combination of high electricity rates ($0.16-$0.29/kWh), significant state incentives, and favorable net-metering policies. If all projects were implemented via third-party power purchase agreements, TWC/CC would save $37 million over 25 years and meet 10.5% of their energy consumption with renewable energy. This paper describes the portfolio screening methodology used to identify and prioritize renewable energy opportunities across the TWC sites, as well as a summary of the potential cost savings that may be realized by implementing these projects. This may provide a template for other companies interested in identifying and prioritizing renewable energy opportunities across a large number of geographically dispersed sites. Following this initial portfolio analysis, NREL will be conducting in-depth analysis of project development opportunities at ten sites and evaluating off-grid solutions that may enable carbon emission reduction and grid independence at select facilities.

  6. Exploring the Energy Landscapes of Protein Folding Simulations with Bayesian Computation

    PubMed Central

    Burkoff, Nikolas S.; Várnai, Csilla; Wells, Stephen A.; Wild, David L.

    2012-01-01

    Nested sampling is a Bayesian sampling technique developed to explore probability distributions localized in an exponentially small area of the parameter space. The algorithm provides both posterior samples and an estimate of the evidence (marginal likelihood) of the model. The nested sampling algorithm also provides an efficient way to calculate free energies and the expectation value of thermodynamic observables at any temperature, through a simple post processing of the output. Previous applications of the algorithm have yielded large efficiency gains over other sampling techniques, including parallel tempering. In this article, we describe a parallel implementation of the nested sampling algorithm and its application to the problem of protein folding in a Gō-like force field of empirical potentials that were designed to stabilize secondary structure elements in room-temperature simulations. We demonstrate the method by conducting folding simulations on a number of small proteins that are commonly used for testing protein-folding procedures. A topological analysis of the posterior samples is performed to produce energy landscape charts, which give a high-level description of the potential energy surface for the protein folding simulations. These charts provide qualitative insights into both the folding process and the nature of the model and force field used. PMID:22385859

  7. Clouds and Precipitation Simulated by the US DOE Accelerated Climate Modeling for Energy (ACME)

    NASA Astrophysics Data System (ADS)

    Xie, S.; Lin, W.; Yoon, J. H.; Ma, P. L.; Rasch, P. J.; Ghan, S.; Zhang, K.; Zhang, Y.; Zhang, C.; Bogenschutz, P.; Gettelman, A.; Larson, V. E.; Neale, R. B.; Park, S.; Zhang, G. J.

    2015-12-01

    A new US Department of Energy (DOE) climate modeling effort is to develop an Accelerated Climate Model for Energy (ACME) to accelerate the development and application of fully coupled, state-of-the-art Earth system models for scientific and energy application. ACME is a high-resolution climate model with a 0.25 degree in horizontal and more than 60 levels in the vertical. It starts from the Community Earth System Model (CESM) with notable changes to its physical parameterizations and other components. This presentation provides an overview on the ACME model's capability in simulating clouds and precipitation and its sensitivity to convection schemes. Results with using several state-of-the-art cumulus convection schemes, including those unified parameterizations that are being developed in the climate community, will be presented. These convection schemes are evaluated in a multi-scale framework including both short-range hindcasts and free-running climate simulations with both satellite data and ground-based measurements. Running climate model in short-range hindcasts has been proven to be an efficient way to understand model deficiencies. The analysis is focused on those systematic errors in clouds and precipitation simulations that are shared in many climate models. The goal is to understand what model deficiencies might be primarily responsible for these systematic errors.

  8. Online platform for simulations of ion energy distribution functions behind a plasma boundary sheath

    NASA Astrophysics Data System (ADS)

    Wollny, Alexander; Shihab, Mohammed; Brinkmann, Ralf Peter

    2012-10-01

    Plasma processes, particularly plasma etching and plasma deposition are crucial for a large variety of industrial manufacturing purposes. For these processes the knowledge of the ion energy distribution function plays a key role. Measurements of the ion energy and ion angular distribution functions (IEDF, IADF) are at least challenging and often impossible in industrial processes. An alternative to measurements of the IEDF are simulations. With this contribution we present a self-consistent model available online for everyone. The simulation of ion energy and ion angular distribution functions involves the well known plasma boundary sheath model by Brinkmann [1-4], which is controlled via a web interface (http://sheath.tet.rub.de). After a successful simulation run all results are evaluable within the browser and ready for download for further analysis.[4pt] [1] R.P. Brinkmann, J. Phys. D: Appl. Phys. 44, 042002 (2011)[0pt] [2] R.P. Brinkmann, J. Phys. D: Appl. Phys. 42, 194009 (2009)[0pt] [3] R.P. Brinkmann, J. App. Phys. 102, 093303 (2007)[0pt] [4] M. Kratzer et al., J. Appl. Phys. 90, 2169 (2001)

  9. Investigation of naphthofuran moiety as potential dual inhibitor against BACE-1 and GSK-3β: molecular dynamics simulations, binding energy, and network analysis to identify first-in-class dual inhibitors against Alzheimer's disease.

    PubMed

    Kumar, Akhil; Srivastava, Gaurava; Srivastava, Swati; Verma, Seema; Negi, Arvind S; Sharma, Ashok

    2017-08-01

    BACE-1 and GSK-3β are potential therapeutic drug targets for Alzheimer's disease. Recently, both the targets received attention for designing dual inhibitors for Alzheimer's disease. Until now, only two-scaffold triazinone and curcumin have been reported as BACE-1 and GSK-3β dual inhibitors. Docking, molecular dynamics, clustering, binding energy, and network analysis of triazinone derivatives with BACE-1 and GSK-3β was performed to get molecular insight into the first reported dual inhibitor. Further, we designed and evaluated a naphthofuran series for its ability to inhibit BACE-1 and GSK-3β with the computational approaches. Docking study of naphthofuran series showed a good binding affinity towards both the targets. Molecular dynamics, binding energy, and network analysis were performed to compare their binding with the targets and amino acids responsible for binding. Naphthofuran series derivatives showed good interaction within the active site residues of both of the targets. Hydrogen bond occupancy and binding energy suggested strong binding with the targets. Dual-inhibitor binding was mostly governed by the hydrophobic interactions for both of the targets. Per residue energy decomposition and network analysis identified the key residues involved in the binding and inhibiting BACE-1 and GSK-3β. The results indicated that naphthofuran series derivative 11 may be a promising first-in-class dual inhibitor against BACE-1 and GSK-3β. This naphthofuran series may be further explored to design better dual inhibitors. Graphical abstract Naphthofuran derivative as a dual inhibitor for BACE-1 and GSK-3β.

  10. Wireless Local Area Networks: Simulation and Analysis

    DTIC Science & Technology

    1998-06-01

    LOCAL AREA NETWORK: SIMULATION AND ANALYSIS 6. AUTHOR( S ) Ltjg Kyriakidis, Efstathios D. 7. PERFORMING ORGANIZATION NAME( S ) AND ADDRESS(ES) Naval... vector S is S = —ExB (3.18) Mo 20 Which by using the Equation 3.7 can be written S =c2*0 ExB (3.19) The magnitude of this vector is the power per...unit area crossing a surface whose normal is parallel to S . This vector is known as the Poynting vector (after JJHLPoynting). Now we consider the

  11. Heat-Energy Analysis for Solar Receivers

    NASA Technical Reports Server (NTRS)

    Lansing, F. L.

    1982-01-01

    Heat-energy analysis program (HEAP) solves general heat-transfer problems, with some specific features that are "custom made" for analyzing solar receivers. Can be utilized not only to predict receiver performance under varying solar flux, ambient temperature and local heat-transfer rates but also to detect locations of hotspots and metallurgical difficulties and to predict performance sensitivity of neighboring component parameters.

  12. Functional data analysis of sleeping energy expenditure

    USDA-ARS?s Scientific Manuscript database

    Adequate sleep is crucial during childhood for metabolic health, and physical and cognitive development. Inadequate sleep can disrupt metabolic homeostasis and alter sleeping energy expenditure (SEE). Functional data analysis methods were applied to SEE data to elucidate the population structure of ...

  13. High resolution simulations of energy absorption in dynamically loaded cellular structures

    NASA Astrophysics Data System (ADS)

    Winter, R. E.; Cotton, M.; Harris, E. J.; Eakins, D. E.; McShane, G.

    2016-04-01

    Cellular materials have potential application as absorbers of energy generated by high velocity impact. CTH, a Sandia National Laboratories Code which allows very severe strains to be simulated, has been used to perform very high resolution simulations showing the dynamic crushing of a series of two-dimensional, stainless steel metal structures with varying architectures. The structures are positioned to provide a cushion between a solid stainless steel flyer plate with velocities ranging from 300 to 900 m/s, and an initially stationary stainless steel target. Each of the alternative architectures under consideration was formed by an array of identical cells each of which had a constant volume and a constant density. The resolution of the simulations was maximised by choosing a configuration in which one-dimensional conditions persisted for the full period over which the specimen densified, a condition which is most readily met by impacting high density specimens at high velocity. It was found that the total plastic flow and, therefore, the irreversible energy dissipated in the fully densified energy absorbing cell, increase (a) as the structure becomes more rodlike and less platelike and (b) as the impact velocity increases. Sequential CTH images of the deformation processes show that the flow of the cell material may be broadly divided into macroscopic flow perpendicular to the compression direction and jetting-type processes (microkinetic flow) which tend to predominate in rod and rodlike configurations and also tend to play an increasing role at increased strain rates. A very simple analysis of a configuration in which a solid flyer impacts a solid target provides a baseline against which to compare and explain features seen in the simulations. The work provides a basis for the development of energy absorbing structures for application in the 200-1000 m/s impact regime.

  14. High resolution simulations of energy absorption in dynamically loaded cellular structures

    NASA Astrophysics Data System (ADS)

    Winter, R. E.; Cotton, M.; Harris, E. J.; Eakins, D. E.; McShane, G.

    2017-03-01

    Cellular materials have potential application as absorbers of energy generated by high velocity impact. CTH, a Sandia National Laboratories Code which allows very severe strains to be simulated, has been used to perform very high resolution simulations showing the dynamic crushing of a series of two-dimensional, stainless steel metal structures with varying architectures. The structures are positioned to provide a cushion between a solid stainless steel flyer plate with velocities ranging from 300 to 900 m/s, and an initially stationary stainless steel target. Each of the alternative architectures under consideration was formed by an array of identical cells each of which had a constant volume and a constant density. The resolution of the simulations was maximised by choosing a configuration in which one-dimensional conditions persisted for the full period over which the specimen densified, a condition which is most readily met by impacting high density specimens at high velocity. It was found that the total plastic flow and, therefore, the irreversible energy dissipated in the fully densified energy absorbing cell, increase (a) as the structure becomes more rodlike and less platelike and (b) as the impact velocity increases. Sequential CTH images of the deformation processes show that the flow of the cell material may be broadly divided into macroscopic flow perpendicular to the compression direction and jetting-type processes (microkinetic flow) which tend to predominate in rod and rodlike configurations and also tend to play an increasing role at increased strain rates. A very simple analysis of a configuration in which a solid flyer impacts a solid target provides a baseline against which to compare and explain features seen in the simulations. The work provides a basis for the development of energy absorbing structures for application in the 200-1000 m/s impact regime.

  15. Energy and environmental analysis of a linear concentrating photovoltaic system

    NASA Astrophysics Data System (ADS)

    Kerzmann, Tony

    The world is facing an imminent energy supply crisis. In order to sustain and increase our energy supply in an environmentally-conscious manner, it is necessary to advance renewable technologies. Despite this urgency, however, it is paramount to consider the larger environmental effects associated with using renewable energy resources. This research is meant to better understand linear concentrating photovoltaics (LCPVs) from an engineering and environmental standpoint. In order to analyze the LCPV system, a simulation and life cycle assessment (LCA) were developed. The LCPV system serves two major purposes: it produces electricity, and waste heat is collected for heating use. There are three parts to the LCPV simulation. The first part simulates the multijunction cell output so as to calculate the temperature-dependent electricity generation. The second part simulates the cell cooling and waste heat recovery system using a model consisting of heat transfer and fluid flow equations. The waste heat recovery in the LCPV system was linked to a hot water storage system, which was also modeled. Coupling the waste heat recovery simulation and the hot water storage system gives an overall integrated system that is useful for system design, optimization, and acts as a stepping stone for future multijunction cell Photovoltaic/Thermal (PV/T) systems. Finally, all of the LCPV system components were coded in Engineering Equation Solver (EES) and were used in an energy analysis under actual weather and solar conditions for the Phoenix, AZ, region. The life cycle assessment for the LCPV system allowed for an environmental analysis of the system where areas of the highest environmental impact were pinpointed. While conducting the LCA research, each component of the system was analyzed from a resource extraction, production, and use standpoint. The collective production processes of each LCPV system component were gathered into a single inventory of materials and energy flows

  16. Coupled Simulation of Borehole Thermal Energy Storages and Solar District Heating Systems

    NASA Astrophysics Data System (ADS)

    Formhals, Julian; Schulte, Daniel O.; Welsch, Bastian; Sass, Ingo

    2017-04-01

    The temporal difference between times of high heat demands and times of high solar heat supplies can be compensated by solar district heating (SDH) with borehole thermal energy storage (BTES) systems. To achieve a good understanding of the system behavior and for optimized dimensioning of the components transient simulations are imperative. In this context the models of SDH systems and BTES pose very different requirements on their simulation environments. Taking this into account, a coupled simulation, in which both models can be realized in separate and specialized simulation environments becomes favorable. The underlying work presents a new approach for a coupled simulation of a SDH system modelled in SimulationX and a BTES system modelled in MATLAB. A case study is performed, in which a SDH system with an annual heat demand of 1,100 MWh and a BTES is designed and dimensioned. The SDH is modelled in SimulationX and later coupled to an existing model of a BTES in MATLAB. Subsequently, a simulation over seven years is carried out to assess the performance of the designed system and the presented coupling method. For the designed system, a storage efficiency of 56.6% and a solar fraction of 36.6% can be achieved after the final year. The implementation of a heat pump proves to be beneficial for the performance of the system. A detailed analysis of the system and component behavior is performed, which concludes in a good understanding of interdependencies between the components and the identification of potential improvements. Following this, an improvement strategy for the system is developed, in which major potentials are related to a more sophisticated control strategy.

  17. Optical analysis of solar energy tubular absorbers.

    PubMed

    Saltiel, C; Sokolov, M

    1982-11-15

    The energy absorbed by a solar energy tubular receiver element for a single incident ray is derived. Two types of receiver elements were analyzed: (1) an inner tube with an absorbing coating surrounded by a semitransparent cover tube, and (2) a semitransparent inner tube filled with an absorbing fluid surrounded by a semitransparent cover tube. The formation of ray cascades in the semitransparent tubes is considered. A numerical simulation to investigate the influence of the angle of incidence, sizing, thickness, and coefficient of extinction of the tubes was performed. A comparison was made between receiver elements with and without cover tubes. Ray tracing analyses in which rays were followed within the tubular receiver element as well as throughout the rest of the collector were performed for parabolic and circular trough concentrating collectors.

  18. Digital computer simulation of inductor-energy-storage dc-to-dc converters with closed-loop regulators

    NASA Technical Reports Server (NTRS)

    Ohri, A. K.; Owen, H. A.; Wilson, T. G.; Rodriguez, G. E.

    1974-01-01

    The simulation of converter-controller combinations by means of a flexible digital computer program which produces output to a graphic display is discussed. The procedure is an alternative to mathematical analysis of converter systems. The types of computer programming involved in the simulation are described. Schematic diagrams, state equations, and output equations are displayed for four basic forms of inductor-energy-storage dc to dc converters. Mathematical models are developed to show the relationship of the parameters.

  19. Simulation and Fabrication of Wagon-Wheel-Shaped Piezoelectric Transducer for Raindrop Energy Harvesting Application

    NASA Astrophysics Data System (ADS)

    Wong, Chin Hong; Dahari, Zuraini; Jumali, Mohammad Hafizuddin; Mohamed, Khairudin; Mohamed, Julie Juliewatty

    2017-01-01

    Harvesting vibrational energy from impacting raindrops using piezoelectric material has been proven to be a promising approach for future outdoor applications, providing a good alternative resource that can be applied in outdoor rainy environments. We present herein an optimum novel polyvinylidene fluoride (PVDF) piezoelectric transducer specifically developed to harvest raindrop energy. The finite-element method was applied for simulation and optimization of the piezoelectric raindrop energy harvester (PREH) using COMSOL Multiphysics software, investigating the electrical potential, surface charge density, and total displacement for different transducer dimensions. According to the simulation results, the structure that generated the highest electrical potential and surface charge density was a wagon-wheel-shaped structure consisting of six spokes with wheel diameter of 30 mm, spoke width of 2 mm, center pad diameter of 6 mm, and thickness of 25 μm. This optimum wagon-wheel-shaped device was then fabricated by spin coating of PVDF, sputtering of aluminum, a poling process, and computer numerical control machining of a polytetrafluoroethylene stand. The fabricated PREH was characterized by x-ray diffraction analysis and Fourier-transform infrared spectroscopy. Finally, the fabricated PREH was tested under actual rain conditions with an alternating current to direct current converter connected in parallel, revealing that a single cell could generate average peak voltage of 22.5 mV and produce electrical energy of 3.4 nJ from ten impacts in 20 s.

  20. A comparison of renewable energy technologies using two simulation softwares: HOMER and RETScreen

    NASA Astrophysics Data System (ADS)

    Ramli, Mohd Sufian; Wahid, Siti Sufiah Abd; Hassan, Khairul Kamarudin

    2017-08-01

    This paper concerns on modelling renewable energy technologies including PV standalone system (PVSS) and wind standalone system (WSS) as well as PV-wind hybrid system (PVWHS). To evaluate the performance of all power system configurations in term of economic analysis and optimization, simulation tools called HOMER and RETScreen are used in this paper. HOMER energy modeling software is a powerful tool for designing and analyzing hybrid power systems, which contains a mix of conventional generators, wind turbines, solar photovoltaic's, hydropower, batteries, and other inputs. RETScreen uses a Microsoft Excel-based spreadsheet model that consists of a set of workbooks which calculates the annual average energy flows with adjustment factors to account for temporal effects such as solar-load coincidence. Sizes of equipments are calculated and inserted as inputs to HOMER and RETScreen. The result obtained are analyzed and discussed. The cost per kWh to generate electricity using the PVSS system to supply the average demand of 8.4 kWh/day ranges between RM 1.953/kWh to RM 3.872/kWh. It has been found that the PVSS gives the lowest cost of energy compared to the other proposed two technologies that have been simulated by using HOMER and RETScreen.

  1. Effect of osteogenesis imperfecta mutations on free energy of collagen model peptides: a molecular dynamics simulation.

    PubMed

    Lee, Kyung-Hoon; Kuczera, Krzysztof; Holl, Mark M Banaszak

    2011-07-01

    We have carried out stochastic boundary molecular dynamics simulations to estimate free energy changes for substitutions of Gly with Val, Arg and Trp residues in a collagen-like peptide. The relative free energy change differences of mutants containing a Val, an Arg and a Trp relative to the wild type are 5.7, 8.1 and 9.5 kcal/mol, respectively. The corresponding free energy change differences of mutants containing two mutated residues are on average 7.6, 10.5 and 14.7 kcal/mol, respectively. We show that the free energy change differences are correlated with the severity of OI from statistical analysis and mechanical properties of the individual tropocollagen molecules. This simulation result indicates an atomistic-level mechanistic understanding of the effect of OI mutations in terms of stability of the mutants relative to the wild type, which could eventually provide a new strategy for diagnosis and treatment of the disease. Copyright © 2011 Elsevier B.V. All rights reserved.

  2. Simulation and Fabrication of Wagon-Wheel-Shaped Piezoelectric Transducer for Raindrop Energy Harvesting Application

    NASA Astrophysics Data System (ADS)

    Wong, Chin Hong; Dahari, Zuraini; Jumali, Mohammad Hafizuddin; Mohamed, Khairudin; Mohamed, Julie Juliewatty

    2017-03-01

    Harvesting vibrational energy from impacting raindrops using piezoelectric material has been proven to be a promising approach for future outdoor applications, providing a good alternative resource that can be applied in outdoor rainy environments. We present herein an optimum novel polyvinylidene fluoride (PVDF) piezoelectric transducer specifically developed to harvest raindrop energy. The finite-element method was applied for simulation and optimization of the piezoelectric raindrop energy harvester (PREH) using COMSOL Multiphysics software, investigating the electrical potential, surface charge density, and total displacement for different transducer dimensions. According to the simulation results, the structure that generated the highest electrical potential and surface charge density was a wagon-wheel-shaped structure consisting of six spokes with wheel diameter of 30 mm, spoke width of 2 mm, center pad diameter of 6 mm, and thickness of 25 μm. This optimum wagon-wheel-shaped device was then fabricated by spin coating of PVDF, sputtering of aluminum, a poling process, and computer numerical control machining of a polytetrafluoroethylene stand. The fabricated PREH was characterized by x-ray diffraction analysis and Fourier-transform infrared spectroscopy. Finally, the fabricated PREH was tested under actual rain conditions with an alternating current to direct current converter connected in parallel, revealing that a single cell could generate average peak voltage of 22.5 mV and produce electrical energy of 3.4 nJ from ten impacts in 20 s.

  3. Building Energy Simulation Test for Existing Homes (BESTEST-EX) (Presentation)

    SciTech Connect

    Judkoff, R.; Neymark, J.; Polly, B.

    2011-12-01

    This presentation discusses the goals of NREL Analysis Accuracy R&D; BESTEST-EX goals; what BESTEST-EX is; how it works; 'Building Physics' cases; 'Building Physics' reference results; 'utility bill calibration' cases; limitations and potential future work. Goals of NREL Analysis Accuracy R&D are: (1) Provide industry with the tools and technical information needed to improve the accuracy and consistency of analysis methods; (2) Reduce the risks associated with purchasing, financing, and selling energy efficiency upgrades; and (3) Enhance software and input collection methods considering impacts on accuracy, cost, and time of energy assessments. BESTEST-EX Goals are: (1) Test software predictions of retrofit energy savings in existing homes; (2) Ensure building physics calculations and utility bill calibration procedures perform up to a minimum standard; and (3) Quantify impact of uncertainties in input audit data and occupant behavior. BESTEST-EX is a repeatable procedure that tests how well audit software predictions compare to the current state of the art in building energy simulation. There is no direct truth standard. However, reference software have been subjected to validation testing, including comparisons with empirical data.

  4. Cross-impacts analysis development and energy policy analysis applications

    SciTech Connect

    Roop, J.M.; Scheer, R.M.; Stacey, G.S.

    1986-12-01

    Purpose of this report is to describe the cross-impact analysis process and microcomputer software developed for the Office of Policy, Planning, and Analysis (PPA) of DOE. First introduced in 1968, cross-impact analysis is a technique that produces scenarios of future conditions and possibilities. Cross-impact analysis has several unique attributes that make it a tool worth examining, especially in the current climate when the outlook for the economy and several of the key energy markets is uncertain. Cross-impact analysis complements the econometric, engineering, systems dynamics, or trend approaches already in use at DOE. Cross-impact analysis produces self-consistent scenarios in the broadest sense and can include interaction between the economy, technology, society and the environment. Energy policy analyses that couple broad scenarios of the future with detailed forecasting can produce more powerful results than scenario analysis or forecasts can produce alone.

  5. Simulation and analysis of plutonium reprocessing plant data

    SciTech Connect

    Burr, T.; Coulter, A.; Wangen, L.

    1996-09-01

    It will be difficult for large-throughput reprocessing plants to meet International Atomic Energy Agency (IAEA) detection goals for protracted diversion of plutonium by materials accounting alone. Therefore, the IAEA is considering supplementing traditional material balance analysis with analysis of solution monitoring data (frequent snapshots of such solution parameters as level, density, and temperature for all major process vessels). Analysis of solution monitoring data will enhance safeguards by improving anomaly detection and resolution, maintaining continuity of knowledge, and validating and improving measurement error models. However, there are costs associated with accessing and analyzing the data. To minimize these costs, analysis methods should be as complete as possible simple to implement, and require little human effort. As a step toward that goal, the authors have implemented simple analysis methods for use in an off-line situation. These methods use solution level to recognize major tank activities, such as tank-to-tank transfers and sampling. In this paper, the authors describe their application to realistic simulated data (the methods were developed by using both real and simulated data), and they present some quantifiable benefits of solution monitoring.

  6. 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.

  7. Statistical analysis of CSP plants by simulating extensive meteorological series

    NASA Astrophysics Data System (ADS)

    Pavón, Manuel; Fernández, Carlos M.; Silva, Manuel; Moreno, Sara; Guisado, María V.; Bernardos, Ana

    2017-06-01

    The feasibility analysis of any power plant project needs the estimation of the amount of energy it will be able to deliver to the grid during its lifetime. To achieve this, its feasibility study requires a precise knowledge of the solar resource over a long term period. In Concentrating Solar Power projects (CSP), financing institutions typically requires several statistical probability of exceedance scenarios of the expected electric energy output. Currently, the industry assumes a correlation between probabilities of exceedance of annual Direct Normal Irradiance (DNI) and energy yield. In this work, this assumption is tested by the simulation of the energy yield of CSP plants using as input a 34-year series of measured meteorological parameters and solar irradiance. The results of this work show that, even if some correspondence between the probabilities of exceedance of annual DNI values and energy yields is found, the intra-annual distribution of DNI may significantly affect this correlation. This result highlights the need of standardized procedures for the elaboration of representative DNI time series representative of a given probability of exceedance of annual DNI.

  8. Energy Analysis Program. 1992 Annual report

    SciTech Connect

    Not Available

    1993-06-01

    The Program became deeply involved in establishing 4 Washington, D.C., project office diving the last few months of fiscal year 1942. This project office, which reports to the Energy & Environment Division, will receive the majority of its support from the Energy Analysis Program. We anticipate having two staff scientists and support personnel in offices within a few blocks of DOE. Our expectation is that this office will carry out a series of projects that are better managed closer to DOE. We also anticipate that our representation in Washington will improve and we hope to expand the Program, its activities, and impact, in police-relevant analyses. In spite of the growth that we have achieved, the Program continues to emphasize (1) energy efficiency of buildings, (2) appliance energy efficiency standards, (3) energy demand forecasting, (4) utility policy studies, especially integrated resource planning issues, and (5) international energy studies, with considerate emphasis on developing countries and economies in transition. These continuing interests are reflected in the articles that appear in this report.

  9. Analysis of Energy Saving Impacts of ASHRAE 90.1-2004 for New York

    SciTech Connect

    Gowri, Krishnan; Halverson, Mark A.; Richman, Eric E.

    2007-08-03

    The New York State Energy Research and Development Authority (NYSERDA) and New York State Department of State (DOS) requested the help of DOE’s Building Energy Codes Program (BECP) in estimating the annual building energy savings and cost impacts of adopting ANSI/ASHRAE/IESNA Standard 90.1-2004 (ASHRAE 2004) requirements. This report summarizes the analysis methodology and results of energy simulation in response to that request.

  10. 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.

  11. HOURS: Simulation and analysis software for the KM3NeT

    NASA Astrophysics Data System (ADS)

    Tsirigotis, A. G.; Leisos, A.; Tzamarias, S. E.

    2017-02-01

    The Hellenic Open University Reconstruction & Simulation (HOURS) software package contains a realistic simulation package of the detector response of very large (km3-scale) underwater neutrino telescopes, including an accurate description of all the relevant physical processes, the production of signal and background as well as several analysis strategies for triggering and pattern recognition, event reconstruction, tracking and energy estimation. HOURS also provides tools for simulating calibration techniques and other studies for estimating the detector sensitivity to several neutrino sources.

  12. Energy loss analysis of an integrated space power distribution system

    NASA Technical Reports Server (NTRS)

    Kankam, M. D.; Ribeiro, P. F.

    1992-01-01

    The results of studies related to conceptual topologies of an integrated utility-like space power system are described. The system topologies are comparatively analyzed by considering their transmission energy losses as functions of mainly distribution voltage level and load composition. The analysis is expedited by use of a Distribution System Analysis and Simulation (DSAS) software. This recently developed computer program by the Electric Power Research Institute (EPRI) uses improved load models to solve the power flow within the system. However, present shortcomings of the software with regard to space applications, and incompletely defined characteristics of a space power system make the results applicable to only the fundamental trends of energy losses of the topologies studied. Accountability, such as included, for the effects of the various parameters on the system performance can constitute part of a planning tool for a space power distribution system.

  13. Energy loss analysis of an integrated space power distribution system

    NASA Technical Reports Server (NTRS)

    Kankam, M. D.; Ribeiro, P. F.

    1992-01-01

    The results of studies related to conceptual topologies of an integrated utility-like space power system are described. The system topologies are comparatively analyzed by considering their transmission energy losses as functions of mainly distribution voltage level and load composition. The analysis is expedited by use of a Distribution System Analysis and Simulation (DSAS) software. This recently developed computer program by the Electric Power Research Institute (EPRI) uses improved load models to solve the power flow within the system. However, present shortcomings of the software with regard to space applications, and incompletely defined characteristics of a space power system make the results applicable to only the fundamental trends of energy losses of the topologies studied. Accountability, such as included, for the effects of the various parameters on the system performance can constitute part of a planning tool for a space power distribution system.

  14. Lac Courte Oreilles Energy Analysis Project

    SciTech Connect

    Leslie Isham; Denise Johnson

    2009-04-01

    and funding to do so will be sought. While we already are in ownership of a Hydro Dam it is currently not functioning to its full capacity we are seeking operation and maintenance firm proposals and funding sources. One of our biggest accomplishment this project gave us was our total Carbon Emissions 9989.45 tons, this will be the number that we will use to base our reductions from. It will help us achieve our goals we have set for ourselves in achieving the Kyoto Protocol and saving our Earth for our future generations. Another major accomplishment and lesson learned is we need to educate ourselves and our people on how to conserve energy to both impact the environment and our own budgets. The Lac Courte Oreilles (LCO) Energy Analysis Project will perform an energy audit to gather information on the Tribe's energy usage and determine the carbon emissions. By performing the audit we will be able to identify areas where conservation efforts are most viable and recommend policies that can be implemented. These steps will enable LCO to begin achieving the goals that have been set by the Tribal Governing Board and adopted through resolutions. The goals are to reduce emissions by 25% and to produce 25% of its energy using sustainable sources. The project objectives were very definitive to assist the Tribe in achieving its goals; reducing carbon emissions and obtaining a sustainable source of energy. The following were the outlined objectives: (1) Coordinate LCO's current and future conservation and renewable energy projects; (2) Establish working relationships with outside entities to share information and collaborate on future projects; (3) Complete energy audit and analyze LCO's energy load and carbon emissions; (4) Identify policy changes, education programs and conservation efforts which are appropriate for the LCO Reservation; and (5) Create a plan to identify the most cost effective renewable energy options for LCO.

  15. 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.

  16. Dihedral angle principal component analysis of molecular dynamics simulations.

    PubMed

    Altis, Alexandros; Nguyen, Phuong H; Hegger, Rainer; Stock, Gerhard

    2007-06-28

    It has recently been suggested by Mu et al. [Proteins 58, 45 (2005)] to use backbone dihedral angles instead of Cartesian coordinates in a principal component analysis of molecular dynamics simulations. Dihedral angles may be advantageous because internal coordinates naturally provide a correct separation of internal and overall motion, which was found to be essential for the construction and interpretation of the free energy landscape of a biomolecule undergoing large structural rearrangements. To account for the circular statistics of angular variables, a transformation from the space of dihedral angles {phi(n)} to the metric coordinate space {x(n)=cos phi(n),y(n)=sin phi(n)} was employed. To study the validity and the applicability of the approach, in this work the theoretical foundations underlying the dihedral angle principal component analysis (dPCA) are discussed. It is shown that the dPCA amounts to a one-to-one representation of the original angle distribution and that its principal components can readily be characterized by the corresponding conformational changes of the peptide. Furthermore, a complex version of the dPCA is introduced, in which N angular variables naturally lead to N eigenvalues and eigenvectors. Applying the methodology to the construction of the free energy landscape of decaalanine from a 300 ns molecular dynamics simulation, a critical comparison of the various methods is given.

  17. A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations

    PubMed Central

    Lee, Tai-Sung; Radak, Brian K.; Pabis, Anna; York, Darrin M.

    2013-01-01

    A novel variational method for construction of free energy profiles from molecular simulation data is presented. The variational free energy profile (VFEP) method uses the maximum likelihood principle applied to the global free energy profile based on the entire set of simulation data (e.g from multiple biased simulations) that spans the free energy surface. The new method addresses common obstacles in two major problems usually observed in traditional methods for estimating free energy surfaces: the need for overlap in the re-weighting procedure and the problem of data representation. Test cases demonstrate that VFEP outperforms other methods in terms of the amount and sparsity of the data needed to construct the overall free energy profiles. For typical chemical reactions, only ~5 windows and ~20-35 independent data points per window are sufficient to obtain an overall qualitatively correct free energy profile with sampling errors an order of magnitude smaller than the free energy barrier. The proposed approach thus provides a feasible mechanism to quickly construct the global free energy profile and identify free energy barriers and basins in free energy simulations via a robust, variational procedure that determines an analytic representation of the free energy profile without the requirement of numerically unstable histograms or binning procedures. It can serve as a new framework for biased simulations and is suitable to be used together with other methods to tackle with the free energy estimation problem. PMID:23457427

  18. A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.

    PubMed

    Lee, Tai-Sung; Radak, Brian K; Pabis, Anna; York, Darrin M

    2013-01-08

    A novel variational method for construction of free energy profiles from molecular simulation data is presented. The variational free energy profile (VFEP) method uses the maximum likelihood principle applied to the global free energy profile based on the entire set of simulation data (e.g from multiple biased simulations) that spans the free energy surface. The new method addresses common obstacles in two major problems usually observed in traditional methods for estimating free energy surfaces: the need for overlap in the re-weighting procedure and the problem of data representation. Test cases demonstrate that VFEP outperforms other methods in terms of the amount and sparsity of the data needed to construct the overall free energy profiles. For typical chemical reactions, only ~5 windows and ~20-35 independent data points per window are sufficient to obtain an overall qualitatively correct free energy profile with sampling errors an order of magnitude smaller than the free energy barrier. The proposed approach thus provides a feasible mechanism to quickly construct the global free energy profile and identify free energy barriers and basins in free energy simulations via a robust, variational procedure that determines an analytic representation of the free energy profile without the requirement of numerically unstable histograms or binning procedures. It can serve as a new framework for biased simulations and is suitable to be used together with other methods to tackle with the free energy estimation problem.

  19. 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.

  20. Electronic energy transfer in anisotropic systems. III. Monte Carlo simulations of energy migration in membranes

    NASA Astrophysics Data System (ADS)

    Johansson, Lennart B.-Å.; Engström, Sven; Lindberg, Maria

    1992-03-01

    Electronic energy migration in membrane systems has been studied by means of Monte Carlo (MC) simulations according to an algorithm described previously [S. Engström, M. Lindberg, and L. B.-Å. Johansson, Chem. Phys. 89, 204 (1988)]. In the systems investigated, the interacting donor molecules are randomly localized in mono-, bi-, and multilayers and are either oriented with their transition dipoles isotropically or parallel to the layers. The mean-square displacement [] of the excitation and experimental observables in terms of different fluorescence depolarizations were determined. All results are relevant for the ``slow case,'' which means that translational and rotational motions of the donors are much slower as compared to the rate of fluorescence. A two-particle approximation for calculating the excitation probability of the initially excited molecule [denoted by Gs(t) ] and the fluorescence depolarizations in two-dimensional systems has been published previously [J. Baumann and M. D. Fayer, J. Chem. Phys. 85, 4087 (1986)]. By using the MC algorithm, we have in this work tested this model extensively. The excitation probability Gs(t) is found to be in excellent agreement with the MC simulations for all of the systems studied. For isotropically oriented donor molecules in multilamellar systems, the simulations show that Gs(t) is very well approximated by that of a monolayer at distances of d≥3 R0 between the layers. At distances of d≤0.5 R0, the function Gs(t) is equal to that of a three-dimensional solution. For the in-plane oriented dipoles in a multilayer system, Gs(t) is very well approximated by that for a single bilayer at d>2 R0. In general, the depolarizations obtained by the two-particle model and MC simulations differ depending on the particular orientational distribution and the experimental geometry. To obtain a physically correct behavior of the fluorescence anisotropy at long times (i.e., the limiting anisotropy) is not possible

  1. Validation studies of the DOE-2 Building Energy Simulation Program. Final Report

    SciTech Connect

    Sullivan, R.; Winkelmann, F.

    1998-06-01

    This report documents many of the validation studies (Table 1) of the DOE-2 building energy analysis simulation program that have taken place since 1981. Results for several versions of the program are presented with the most recent study conducted in 1996 on version DOE-2.1E and the most distant study conducted in 1981 on version DOE-1.3. This work is part of an effort related to continued development of DOE-2, particularly in its use as a simulation engine for new specialized versions of the program such as the recently released RESFEN 3.1. RESFEN 3.1 is a program specifically dealing with analyzing the energy performance of windows in residential buildings. The intent in providing the results of these validation studies is to give potential users of the program a high degree of confidence in the calculated results. Validation studies in which calculated simulation data is compared to measured data have been conducted throughout the development of the DOE-2 program. Discrepancies discovered during the course of such work has resulted in improvements in the simulation algorithms. Table 2 provides a listing of additions and modifications that have been made to various versions of the program since version DOE-2.1A. One of the most significant recent changes in the program occurred with version DOE-2.1E. An improved algorithm for calculating the outside surface film coefficient was implemented. In addition, integration of the WINDOW 4 program was accomplished resulting in improved ability in analyzing window energy performance. Validation and verification of a program as sophisticated as DOE-2 must necessarily be limited because of the approximations inherent in the program. For example, the most accurate model of the heat transfer processes in a building would include a three-dimensional analysis. To justify such detailed algorithmic procedures would correspondingly require detailed information describing the building and/or HVAC system and energy plant parameters

  2. Parametric Analysis of Energy Consumption in Army Buildings by the Building Loads Analysis and System Thermodynamics (BLAST) Computer Program.

    DTIC Science & Technology

    1980-08-01

    three buildings were simulated for five climatological regions centered at Washington, DC; Charleston, SC; Los Angeles, CA; Columbia, MO; and Fort...Approh 8 2 EXPERIMENTAL SETUP ..................................................... 9 Simutlation Method 9 Buihling Selection 9 Climatic Regions 1...consumption in various climatic regions is not known, making it difficult to do a cost or energy analysis of a facility. Although the energy consumed by a

  3. Entry, concentration and market efficiency: A simulation of the PJM energy market

    NASA Astrophysics Data System (ADS)

    Harvill, Terry

    The rapid and substantial expansion of the PJM energy market during 2004 and 2005 provides a unique opportunity to test the theory of market concentration and its effect on market efficiency. With ten years of operational experience, the PJM energy market is uniquely suited to test the theories of market concentration and efficiency in a natural experiment. This research tests the hypothesis that, for a given number of generating units in the industry, system marginal price will be a decreasing function of the number of owners or generators controlling the units (i.e., the industry concentration ratio). Market simulations are utilized to assess price-cost markups in the PJM energy market during three distinct periods of expansion: (1) pre-Commonwealth Edison integration, (2) pre-American Electric Power (AEP), Dayton Power and Light (DPL), Duquesne Light (Duquesne), and Dominion Virginia Power (Dominion) integration, and (3) post-AFT, DPL. Duquesne, and Dominion Integration. The results of the market simulations for the May 1 to August 31 periods for 2003, 2004, and 2005, indicate that the performance of the market improved with the addition of new market participants in 2004 and 2005. The results of the simulation indicate that the load-weighted Lerner index decreased to -3.70 percent in 2005 from 0.92 percent in 2003. Clearly, the addition of Commonwealth Edison in 2004 significantly increased constraints within the PJM energy market and likely impacted the observed prices in PJM during 2004 due to the lack of a significant link to the other PJM market participants. This deficiency was address in 2005 with the addition of American Electric Power. The market simulations also highlight the prevalence of computed negative markups in the simulation results. Many of the off-peak periods in particular are characterized by negative markups where the expected marginal cost exceeds the observed price. Unit commitment constraints are believed to largely account for these

  4. 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

  5. Human Energy Field: A Concept Analysis.

    PubMed

    Shields, Deborah; Fuller, Ann; Resnicoff, Marci; Butcher, Howard K; Frisch, Noreen

    2016-11-23

    The human energy field (HEF) as a phenomenon of interest across disciplines has gained increased attention over the 20th and 21st centuries. However, a concern has arisen that there is a lack of evidence to support the concept of the HEF as a phenomenon of interest to professional nurses and nursing practice. Using Chinn and Kramer's method of creating conceptual meaning, a concept analysis was conducted for the purpose of developing a conceptual definition of HEF. A systematic review of the literature using the CINAHL database yielded a total of 81 articles and text sources that were determined to be relevant to the concept analysis. The HEF is defined as a luminous field of energy that comprises a person, extends beyond the physical body, and is in a continuous mutual process with the environmental energy field. It is a vital energy that is a continuous whole and is recognized by its unique pattern; it is dynamic, creative, nonlinear, unpredictable, and flows in lower and higher frequencies. The balanced HEF is characterized by flow, rhythm, symmetry, and gentle vibration.

  6. Bifurcations analysis of turbulent energy cascade

    SciTech Connect

    Divitiis, Nicola de

    2015-03-15

    This note studies the mechanism of turbulent energy cascade through an opportune bifurcations analysis of the Navier–Stokes equations, and furnishes explanations on the more significant characteristics of the turbulence. A statistical bifurcations property of the Navier–Stokes equations in fully developed turbulence is proposed, and a spatial representation of the bifurcations is presented, which is based on a proper definition of the fixed points of the velocity field. The analysis first shows that the local deformation can be much more rapid than the fluid state variables, then explains the mechanism of energy cascade through the aforementioned property of the bifurcations, and gives reasonable argumentation of the fact that the bifurcations cascade can be expressed in terms of length scales. Furthermore, the study analyzes the characteristic length scales at the transition through global properties of the bifurcations, and estimates the order of magnitude of the critical Taylor-scale Reynolds number and the number of bifurcations at the onset of turbulence.

  7. Constraint methods that accelerate free-energy simulations of biomolecules

    SciTech Connect

    Perez, Alberto; MacCallum, Justin L.; Coutsias, Evangelos A.; Dill, Ken A.

    2015-12-28

    Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann’s law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions.

  8. Constraint methods that accelerate free-energy simulations of biomolecules.

    PubMed

    Perez, Alberto; MacCallum, Justin L; Coutsias, Evangelos A; Dill, Ken A

    2015-12-28

    Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann's law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions.

  9. Constraint methods that accelerate free-energy simulations of biomolecules

    PubMed Central

    MacCallum, Justin L.; Dill, Ken A.

    2015-01-01

    Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann’s law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions. PMID:26723628

  10. Constraint methods that accelerate free-energy simulations of biomolecules

    NASA Astrophysics Data System (ADS)

    Perez, Alberto; MacCallum, Justin L.; Coutsias, Evangelos A.; Dill, Ken A.

    2015-12-01

    Atomistic molecular dynamics simulations of biomolecules are critical for generating narratives about biological mechanisms. The power of atomistic simulations is that these are physics-based methods that satisfy Boltzmann's law, so they can be used to compute populations, dynamics, and mechanisms. But physical simulations are computationally intensive and do not scale well to the sizes of many important biomolecules. One way to speed up physical simulations is by coarse-graining the potential function. Another way is to harness structural knowledge, often by imposing spring-like restraints. But harnessing external knowledge in physical simulations is problematic because knowledge, data, or hunches have errors, noise, and combinatoric uncertainties. Here, we review recent principled methods for imposing restraints to speed up physics-based molecular simulations that promise to scale to larger biomolecules and motions.

  11. Energy Flow Analysis of Coupled Beams

    NASA Astrophysics Data System (ADS)

    Cho, P. E.; Bernhard, R. J.

    1998-04-01

    Energy flow analysis (EFA) is an analytical tool for prediction of the frequency-averaged vibrational response of built-up structures at high audible frequencies. The procedure is based on two developments; first, the derivation of the partial differential equations that govern the propagation of energy-related quantities in simple structural elements such as rods, beams, plates, and acoustic cavities; and second, the derivation of coupling relationships in terms of energy-related quantities that describe the transfer of energy for various joints (e.g., beam-to-beam, rod-to-beam, plate-to-plate, structure-to-acoustic field coupling). In this investigation, the energy flow coupling relationships at these joints for rods and beams are derived. EFA is used to predict the frequency-averaged vibrational response of a frame structure with a three-dimensional joint, where four wave types propagate in the structure. The predicted results of EFA are shown to be a good approximation of the frequency-averaged “exact” energetics, which are computed from classical displacement solutions.

  12. Biomass energy analysis for crop dehydration

    SciTech Connect

    Whittier, J.P.; Haase, S.G.; Quinn, M.W.

    1994-12-31

    In 1994, an agricultural processing facility was constructed in southern New Mexico for spice and herb dehydration. Annual operational costs are dominated by energy costs, due primarily to the energy intensity of dehydration. A feasibility study was performed to determine whether the use of biomass resources as a feedstock for a cogeneration system would be an economical option. The project location allowed access to unusual biomass feedstocks including cotton gin trash, pecan shells and in-house residues. A resource assessment of the immediate project area determined that approximately 120,000 bone dry tons of biomass feedstocks are available annually. Technology characterization for the plant energy requirements indicated gasification systems offer fuel flexibility advantages over combustion systems although vendor support and commercial experience are limited. Regulatory siting considerations introduce a level of uncertainty because of a lack of a precedent in New Mexico for gasification technology and because vendors of commercial gasifiers have little experience operating such a facility nor gathering emission data. A public opinion survey indicated considerable support for renewable energy use and biomass energy utilization. However, the public opinion survey also revealed limited knowledge of biomass technologies and concerns regarding siting of a biomass facility within the geographic area. The economic analysis conducted for the study is based on equipment vendor quotations, and indicates there will be difficulty competing with current prices of natural gas.

  13. The Science of Transportation Analysis and Simulation

    NASA Astrophysics Data System (ADS)

    Gleibe, John

    2010-03-01

    Transportation Science focuses on methods developed to model and analyze the interaction between human behavior and transportation systems. From the human behavioral, or demand, perspective, we are interested in how person and households organize their activities across space and time, with travel viewed as an enabling activity. We have a particular interest in how to model the range of responses to public policy and transportation system changes, which leads to the consideration of both short- and long-term decision-making, interpersonal dependencies, and non-transportation-related opportunities and constraints, including household budgets, land use systems and economic systems. This has led to the development of complex structural econometric modeling systems as well as agent-based simulations. From the transportation systems, or supply, perspective we are interested in the level of service provide by transportation facilities, be it auto, transit or multi-modal systems. This has led to the development of network models and equilibrium concepts as well as hybrid simulation systems based on concepts borrowed from physics, such as fluid flow models, and cellular automata-type models. In this presentation, we review a representative sample of these methods and their use in transportation planning and public policy analysis.

  14. A detailed analysis of simulated magnetic reversals

    NASA Astrophysics Data System (ADS)

    Wicht, J.; Olson, P.

    2003-04-01

    Field reversals are the most spectacular feature of the Earth's magnetic field but are only little understood. Paläomagnetism can provide an estimate of the involved time scales but has no means of exploring the internal mechanism behind this phenomenon. Numerical simulations, on the other hand, deliver a complete picture of the reversal dynamics but may not model all relevant geophysical aspects. We focus on simulations of reversals at modest parameters. While these relatively simple models reproduce many features of the geomagnetic field their relatively large scale field does still allow a detailed analysis of the 3d dynamics. However, the visualisation remains challanging and we use animations of different fields in various surfaces to understand the reversal sequence and mechanism. Rising plumes in or close to the tangent cylinder are the main sources of inverse magnetic field. Inverse field produced inside the tangent cylinder is unlikey to cross this barrier. However, inverse field produced near the CMB by plumes that rise close to but outside the tangent cylinder can be distributed through the outer core by meridional circulation. The duration of a reversal is thus determined by the time scale of this circulation. Using the west-ward drift as an estimat this would suggest a duration of about 2000 years, which is compatible with paläomagnetic findings. The reversal frequency depends on the detailed dynamics of the plumes and their ability to produce magnetic field, properties that are much harder to estimate.

  15. Scripted Building Energy Modeling and Analysis: Preprint

    SciTech Connect

    Hale, E.; Macumber, D.; Benne, K.; Goldwasser, D.

    2012-08-01

    Building energy modeling and analysis is currently a time-intensive, error-prone, and nonreproducible process. This paper describes the scripting platform of the OpenStudio tool suite (http://openstudio.nrel.gov) and demonstrates its use in several contexts. Two classes of scripts are described and demonstrated: measures and free-form scripts. Measures are small, single-purpose scripts that conform to a predefined interface. Because measures are fairly simple, they can be written or modified by inexperienced programmers.

  16. Nonlinear transient analysis via energy minimization

    NASA Technical Reports Server (NTRS)

    Kamat, M. P.; Knight, N. F., Jr.

    1978-01-01

    The formulation basis for nonlinear transient analysis of finite element models of structures using energy minimization is provided. Geometric and material nonlinearities are included. The development is restricted to simple one and two dimensional finite elements which are regarded as being the basic elements for modeling full aircraft-like structures under crash conditions. The results indicate the effectiveness of the technique as a viable tool for this purpose.

  17. Computer Simulation of Reflection High Energy Electron Diffraction and Low Energy Electron Diffraction

    NASA Astrophysics Data System (ADS)

    Flexner, Soren; Davidson, Bruce; Odonnell, James; Eckstein, J. N.

    2000-03-01

    Simulation software for Reflection High Energy Electron Diffraction (RHEED) and Low Energy Electron Diffraction (LEED) imaging has been developed using the C programming language. This software models experimental electron diffraction patterns obtained in-situ during deposition of oxide films by molecular beam epitaxy in our lab. Using the kinematical approximation the software considers the phase contributions from scatterers via a modifiable, finite, two or three-dimensional real lattice to construct the RHEED and LEED images. We have found quantitative agreement in the positions of diffraction maxima, and proceed to use the software to explore the qualitative aspects of La and Mn termination in LaMnO2, surface Jahn-Teller distortion in perovskites, terracing in various materials, and domain formation in a-axis DBCO resulting from in-plane rotation of the c-axis. In addition the software is used to examine proposed surface reconstructions capable of producing, e.g. the elevated half-order streaks seen along the [100] azimuth during growth of LaMnO2.

  18. Lower-Energy Requirements for Power-Assist HEV Energy Storage Systems--Analysis and Rationale (Presentation)

    SciTech Connect

    Gonder, J.; Pesaran, A.

    2010-03-18

    Presented at the 27th International Battery Seminar and Exhibit, 15-18 March 2010, Fort Lauderdale, Florida. NREL conducted simulations and analysis of vehicle test data with research partners in response to a USABC request; results suggest that power-assist hybrid electric vehicles (HEVs), like conventional HEVs, can achieve high fuel savings with lower energy requirements at potentially lower cost.

  19. 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. 2010 Wiley Periodicals, Inc.

  20. Reinforcement of Zn(O,S) buffer layer for efficient band matching in a kesterite (Cu2ZnSnS4) solar cell and its analysis using simulation tool for the application in energy harvesting

    NASA Astrophysics Data System (ADS)

    Jani, Margi; Raval, Dhyey; Mukhopadhyay, Indrajit; Ray, Abhijit

    2017-05-01

    Zinc oxy-sulfide Zn(O,S) owing to its band gap tailoring property and non-toxicity is widely explored as buffer layer for the development of thin film solar cells. In this work band alignment of Zn(O,S) buffer with low cost chalcogenide absorbers layers such as kesterite (Cu2ZnSnS4) has been investigated. A detail study is presented in order to investigate the consequences of band bending in Cu2ZnSnS4 (CZTS) solar cells using Zn(O,S) as buffer layer on its performance by using one dimensional simulation tool SCAPS. The derived parameters are used to find minimum band offset by tuning the properties of Zn(O,S) buffer layer for better performance. Presented analysis shows that the band-gap variation with sulfur concentration in Zn(O,S) is beneficial to reduces the band offset with the hetero-junction partner material.

  1. Calibrated energy simulations of potential energy savings in actual retail buildings

    NASA Astrophysics Data System (ADS)

    Alhafi, Zuhaira

    Retail stores are commercial buildings with high energy consumption due to their typically large volumes and long hours of operation. This dissertation assesses heating, ventilating and air conditioning saving strategies based on energy simulations with input parameters from actual retail buildings. The dissertation hypothesis is that "Retail store buildings will save a significant amount of energy by (1) modifying ventilation rates, and/or (2) resetting set point temperatures. These strategies have shown to be beneficial in previous studies. As presented in the literature review, potential energy savings ranged from 0.5% to 30% without compromising indoor thermal comfort and indoor air quality. The retail store buildings can be ventilated at rates significantly lower than rates called for in the ASHRAE Standard 62.1-2010 while maintaining acceptable indoor air quality. Therefore, two dissertation objectives are addressed: (1) Investigate opportunities to reduce ventilation rates that do not compromise indoor air quality in retail stores located in Central Pennsylvania, (2) Investigate opportunities to increase (in summer) and decrease (in winter) set point temperatures that do not compromise thermal comfort. This study conducted experimental measurements of ventilation rates required to maintain acceptable air quality and indoor environmental conditions requirements for two retail stores using ASHRAE Standard 62.1_2012. More specifically, among other parameters, occupancy density, indoor and outdoor pollutant concentrations, and indoor temperatures were measured continuously for one week interval. One of these retail stores were tested four times for a yearlong time period. Pollutants monitored were formaldehyde, carbon dioxide, particle size distributions and concentrations, as well as total volatile organic compounds. As a part of the base protocol, the number of occupants in each store was hourly counted during the test, and the results reveal that the occupant

  2. Building energy analysis with BLAST and CEL-1

    SciTech Connect

    Treado, S.J.; Holland, D.B.; Remmert, W.E.; Pierpoint, W.

    1986-02-01

    The report describes the capabilities of the BLAST and CEL-1 computer programs and the procedures for using a hybrid version that incorporates both programs into a single design and analysis tool. Details on assembling the required information for development of the input files, and the actual execution of the hybrid program are covered. The program allows detailed simulation of actual lighting systems using CEL-1 including daylighting effects while providing BLAST with lighting energy modifiers on an hourly basis. The procedure is demonstrated using a sample building.

  3. 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.

  4. Beam ion instability: Measurement, analysis, and simulation

    SciTech Connect

    Wang, L.; Safranek, J.; Cai, Y.; Corbett, J.; Hettel, B.; Raubenheimer, T. O.; Schmerge, J.; Sebek, J.; /SLAC

    2013-10-03

    A weak vertical coupled-bunch instability with oscillation amplitude of the order of a few μ m has been observed in SPEAR3 at nominal vacuum pressure. The instability becomes stronger with increasing neutral gas pressure as observed by turning off vacuum pumps, and becomes weaker when the vertical beam emittance is increased. These observations indicate that the vertical beam motion is driven by ions trapped in the periodic potential of the electron beam. In this paper we present a series of comprehensive beam measurements, impedance-based stability analysis, and numerical simulations of beam-ion interactions in SPEAR3. The effects of vacuum pressure, gas species, beam current, bunch fill pattern, chromaticity, and vertical beam emittance are investigated.

  5. Simulations and analysis of a piezoelectric micropump.

    PubMed

    Wang, Baowei; Chu, Xiangcheng; Li, Enzhu; Li, Longtu

    2006-12-22

    A number of micropumps have been proposed in the last few years based on different actuating principles and fabricated by different technologies. However, many of those micropumps have been designed taking into account primarily available microfabrication technologies rather than appropriate pump performance analysis. In fact, not all papers are available in the literature presenting theoretical models usable to describe the functioning and predict the performance of those micropumps. In this paper, we present a new micropump model and FEA method suitable for guiding the design and predicting the performance of a micropump actuated by a piezoelectric actuator. The model takes into account the influence of piezoelectric transducer and pump geometry. Simulations have been performed and compared with results of experiments on a prototype micropump fabricated in our laboratory.

  6. 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

  7. Analysis of lunar regolith thermal energy storage

    NASA Technical Reports Server (NTRS)

    Colozza, Anthony J.

    1991-01-01

    The concept of using lunar regolith as a thermal energy storage medium was evaluated. The concept was examined by mathematically modeling the absorption and transfer of heat by the lunar regolith. Regolith thermal and physical properties were established through various sources as functions of temperature. Two cases were considered: a semi-infinite, constant temperature, cylindrical heat source embedded in a continuum of lunar regolith and a spherically shaped molten zone of lunar regolith set with an initial temperature profile. The cylindrical analysis was performed in order to examine the amount of energy which can be stored in the regolith during the day. At night, the cylinder acted as a perfect insulator. This cycling was performed until a steady state situation was reached in the surrounding regolith. It was determined that a cycling steady state occurs after approximately 15 day/night cycles. Results were obtained for cylinders of various diameters. The spherical molten zone analysis was performed to establish the amount of thermal energy, within the regolith, necessary to maintain some molten material throughout a nighttime period. This surrounding temperature profile was modeled after the cycling steady state temperature profile established by the cylindrical analysis. It was determined that a molten sphere diameter of 4.76 m is needed to maintain a core temperature near the low end of the melting temperature range throughout one nighttime period.

  8. Passivhaus: indoor comfort and energy dynamic analysis.

    NASA Astrophysics Data System (ADS)

    Guida, Antonella; Pagliuca, Antonello; Cardinale, Nicola; Rospi, Gianluca

    2013-04-01

    The research aims to verify the energy performance as well as the indoor comfort of an energy class A+ building, built so that the sum of the heat passive contributions of solar radiation, transmitted through the windows, and the heat generated inside the building, are adeguate to compensate for the envelope loss during the cold season. The building, located in Emilia Romagna (Italy), was built using a wooden structure, an envelope realized using a pinewood sandwich panels (transmittance U = 0.250 W/m2K) and, inside, a wool flax insulation layer and thermal window frame with low-emissivity glass (U = 0524 W/m2K). The building design and construction process has followed the guidelines set by "CasaClima". The building has been modeled in the code of dynamic calculation "Energy Plus" by the Design Builder application and divided it into homogenous thermal zones, characterized by winter indoor temperature set at 20 ° (+ / - 1 °) and summer indoor temperature set at 26 ° (+ / - 1 °). It has modeled: the envelope, as described above, the "free" heat contributions, the air conditioning system, the Mechanical Ventilation system as well as home automation solutions. The air conditioning system is an heat pump, able to guarantee an optimization of energy consumption (in fact, it uses the "free" heat offered by the external environment for conditioning indoor environment). As regards the air recirculation system, it has been used a mechanical ventilation system with internal heat cross-flow exchanger, with an efficiency equal to 50%. The domotic solutions, instead, regard a system for the control of windows external screening using reeds, adjustable as a function of incident solar radiation and a lighting management system adjusted automatically using a dimmer. A so realized building meets the requirement imposed from Italian standard UNI/TS 11300 1, UNI/TS 11300 2 and UNI/TS 11300 3. The analysis was performed according to two different configurations: in "spontaneous

  9. Baroclinic internal wave energy distribution in the Baltic Sea derived from 45 years of circulation simulations

    NASA Astrophysics Data System (ADS)

    Rybin, Artem; Soomere, Tarmo; Kurkina, Oxana; Kurkin, Andrey; Rouvinskaya, Ekaterina; Markus Meier, H. E.

    2016-04-01

    Internal waves and internal tides are an essential component of the functioning of stratified shelf seas. They carry substantial amounts of energy through the water masses, drive key hydrophysical processes such as mixing and overturning and support the functioning of marine ecosystem in many ways. Their particular impact becomes evident near and at the bottom where they often create substantial loads to engineering structures and exert a wide range of impacts on the bottom sediments and evolution of the seabed. We analyse several properties of spatio-temporal distributions of energy of relatively long-period large-scale internal wave motions in the Baltic Sea. The analysis is based on numerically simulated pycnocline variations that are extracted from the hydrographic data calculated by the Rossby Centre Ocean circulation model (RCO) for the entire Baltic Sea for 1961-2005. This model has a horizontal resolution of 2 nautical miles and uses 41 vertical layers with a thickness between 3 m close to the surface and 12 m in 250 m depth. The model is forced with atmospheric data derived from the ERA-40 re-analysis using a regional atmosphere model with a horizontal resolution of 25 km. It also accounts for river inflow and water exchange through the Danish Straits. See (Meier, H.E.M., Höglund, A., 2013. Studying the Baltic Sea circulation with Eulerian tracers, in Soomere, T., Quak, E., eds., Preventive Methods for Coastal Protection, Springer, Cham, Heidelberg, 101-130) for a detailed description of the model and its forcing. The resolution of the model output used in this study (once in 6 hours) is sufficient for estimates of spectral amplitudes of the displacements of isopycnal surfaces with a typical period of 2-12 days. We provide the analysis of kinetic and potential energy of motions with these periods. The resulting maps of the maxima of energy and spatial distributions of near-bottom velocities have been evaluated for the entire simulation interval of 45

  10. Molecular dynamics simulations of threshold displacement energies in Fe

    NASA Astrophysics Data System (ADS)

    Nordlund, K.; Wallenius, J.; Malerba, L.

    2006-05-01

    We compare systematically the threshold displacement energy surface of 11 interatomic potentials in Fe. We discuss in detail different possible definitions of threshold displacement energies, and how they relate to different kinds of experimental threshold displacement energies. We compare the threshold results to experiments, and find that none of the 11 tested potentials agrees fully with experiments. However, all the potentials predict some qualitative features in the same way, most importantly that the threshold energy surface close to the 1 0 0 crystal direction is flat and that the largest threshold energies occur around very roughly the 1 2 3 crystal direction.

  11. NREL Evaluates Thermal Performance of Uninsulated Walls to Improve Accuracy of Building Energy Simulation Tools (Fact Sheet)

    SciTech Connect

    Not Available

    2012-03-01

    NREL researchers discover ways to increase accuracy in building energy simulations tools to improve predictions of potential energy savings in homes. Uninsulated walls are typical in older U.S. homes where the wall cavities were not insulated during construction or where the insulating material has settled. Researchers at the National Renewable Energy Laboratory (NREL) are investigating ways to more accurately calculate heat transfer through building enclosures to verify the benefit of energy efficiency upgrades that reduce energy use in older homes. In this study, scientists used computational fluid dynamics (CFD) analysis to calculate the energy loss/gain through building walls and visualize different heat transfer regimes within the uninsulated cavities. The effects of ambient outdoor temperature, the radiative properties of building materials, insulation levels, and the temperature dependence of conduction through framing members were considered. The research showed that the temperature dependence of conduction through framing members dominated the differences between this study and previous results - an effect not accounted for in existing building energy simulation tools. The study provides correlations for the resistance of the uninsulated assemblies that can be implemented into building simulation tools to increase the accuracy of energy use estimates in older homes, which are currently over-predicted.

  12. Direct numerical simulation and analysis of shock turbulence interaction

    NASA Technical Reports Server (NTRS)

    Lee, Sangsan; Lele, Sanjiva K.; Moin, Parviz

    1991-01-01

    Two kinds of linear analysis, rapid distortion theory (RDT) and linear interaction analysis (LIA), were used to investigate the effects of a shock wave on turbulence. Direct numerical simulations of two-dimensional isotropic turbulence interaction with a normal shock were also performed. The results from RDT and LIA are in good agreement for weak shock waves, where the effects of shock front curvature and shock front unsteadiness are not significant in producing vorticity. The linear analyses predict wavenumber-dependent amplification of the upstream one-dimensional energy spectrum, leading to turbulence scale length scale decrease through the interaction. Instantaneous vorticity fields show that vortical structures are enhanced while they are compressed in the shock normal direction. Entrophy amplfication through the shock wave compares favorably with the results of linear analyses.

  13. Free Energy Perturbation Monte Carlo Simulations of Salt Influences on Aqueous Freezing Point Depression

    NASA Astrophysics Data System (ADS)

    Dick, Thomas J.; Wierzbicki, Andrzej; Madura, Jeffry D.

    Free energy perturbation Monte Carlo (FEP/MC) simulations are performed for both the liquid and solid phases of water to determine the melting temperature of several popular three and four-site water models. Gibbs free energy vs. temperature plots are constructed from the simulations to determine the melting temperature. For the liquid phase, standard FEP/MC simulations are used to calculate the free energy relative to the gas phase at multiple temperatures. The free energy of the solid phase relative to the gas phase is calculated at multiple temperatures using the lattice-coupling method. The intersection of the free energy regression lines determines the estimate of the melting temperature. Additionally, simulations were carried out for simple salt solutions to determine the freezing point depressions (FPD). The simulations reproduce the FPD as a function of salt concentration for solutions of NaCl, KCl, CaCl2, and MgCl2.

  14. A simulation model for wind energy storage systems. Volume 2: Operation manual

    NASA Technical Reports Server (NTRS)

    Warren, A. W.; Edsinger, R. W.; Burroughs, J. D.

    1977-01-01

    A comprehensive computer program (SIMWEST) developed for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel, and pneumatic) is described. Features of the program include: a precompiler which generates computer models (in FORTRAN) of complex wind source/storage/application systems, from user specifications using the respective library components; a program which provides the techno-economic system analysis with the respective I/O the integration of system dynamics, and the iteration for conveyance of variables; and capability to evaluate economic feasibility as well as general performance of wind energy systems. The SIMWEST operation manual is presented and the usage of the SIMWEST program and the design of the library components are described. A number of example simulations intended to familiarize the user with the program's operation is given along with a listing of each SIMWEST library subroutine.

  15. An expanded system simulation model for solar energy storage (technical report), volume 1

    NASA Technical Reports Server (NTRS)

    Warren, A. W.

    1979-01-01

    The simulation model for wind energy storage (SIMWEST) program now includes wind and/or photovoltaic systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic) and is available for the UNIVAC 1100 series and the CDC 6000 series computers. The level of detail is consistent with a role of evaluating the economic feasibility as well as the general performance of wind and/or photovoltaic energy systems. The software package consists of two basic programs and a library of system, environmental, and load components. The first program is a precompiler which generates computer models (in FORTRAN) of complex wind and/or photovoltaic source/storage/application systems, from user specifications using the respective library components. The second program provides the techno-economic system analysis with the respective I/0, the integration of system dynamics, and the iteration for conveyance of variables.

  16. Computer simulation of material behavior at the notch tip: Effect of microrotations on elastic energy release

    NASA Astrophysics Data System (ADS)

    Moiseenko, D. D.; Panin, S. V.; Maksimov, P. V.; Panin, V. E.; Babich, D. S.; Berto, F.

    2016-11-01

    The paper is devoted to detailed investigation of rotational deformation modes at the notch tip during shock loading. Using hybrid discrete-continuum approach of Excitable Cellular Automata the series of numerical experiments were conducted to simulate deformation behavior of ductile steel in the vicinities of U-, I- and V-notches. The detailed analysis of the force moment distribution at the notch tip allowed revealing the relationship between the rotational deformation modes at different scales. It was found that the elastic energy release is realized by means of the modulation of the magnitude and the sign of the force moment. The obtained results makes possible to optimize crystal structure for improvement of mechanical properties of the material in the way of elastic energy release by reversible microrotations.

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

    SciTech Connect

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

    2009-08-19

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

  18. Environmental Systems Simulations for Carbon, Energy, Nitrogen, Water, and Watersheds: Design Principles and Pilot Testing

    ERIC Educational Resources Information Center

    Lant, Christopher; Pérez-Lapeña, Blanca; Xiong, Weidong; Kraft, Steven; Kowalchuk, Rhonda; Blair, Michael

    2016-01-01

    Guided by the Next Generation Science Standards and elements of problem-based learning, four human-environment systems simulations are described in brief--carbon, energy, water, and watershed--and a fifth simulation on nitrogen is described in more depth. These science, technology, engineering, and math (STEM) education simulations illustrate…

  19. Environmental Systems Simulations for Carbon, Energy, Nitrogen, Water, and Watersheds: Design Principles and Pilot Testing

    ERIC Educational Resources Information Center

    Lant, Christopher; Pérez-Lapeña, Blanca; Xiong, Weidong; Kraft, Steven; Kowalchuk, Rhonda; Blair, Michael

    2016-01-01

    Guided by the Next Generation Science Standards and elements of problem-based learning, four human-environment systems simulations are described in brief--carbon, energy, water, and watershed--and a fifth simulation on nitrogen is described in more depth. These science, technology, engineering, and math (STEM) education simulations illustrate…

  20. Application of a forest-simulation model to assess the energy yield and ecological impact of forest utilization for energy

    SciTech Connect

    Doyle, T W; Shugart, H H; West, D C

    1981-01-01

    This study examines the utilization and management of natural forest lands to meet growing wood-energy demands. An application of a forest simulation model is described for assessing energy returns and long-term ecological impacts of wood-energy harvesting under four general silvicultural practices. Results indicate that moderate energy yields could be expected from mild cutting operations which would significantly effect neither the commercial timber market nor the composition, structure, or diversity of these forests. Forest models can provide an effective tool for determining optimal management strategies that maximize energy returns, minimize environmental detriment, and complement existing land-use plans.

  1. Analysis of the statistical error in umbrella sampling simulations by umbrella integration

    NASA Astrophysics Data System (ADS)

    Kästner, Johannes; Thiel, Walter

    2006-06-01

    Umbrella sampling simulations, or biased molecular dynamics, can be used to calculate the free-energy change of a chemical reaction. We investigate the sources of different sampling errors and derive approximate expressions for the statistical errors when using harmonic restraints and umbrella integration analysis. This leads to generally applicable rules for the choice of the bias potential and the sampling parameters. Numerical results for simulations on an analytical model potential are presented for validation. While the derivations are based on umbrella integration analysis, the final error estimate is evaluated from the raw simulation data, and it may therefore be generally applicable as indicated by tests using the weighted histogram analysis method.

  2. Multi-Scale Simulation of High Energy Density Ionic Liquids

    DTIC Science & Technology

    2007-06-19

    Simulations of Liquid Imidazolium Salts. Mol. Phys. 2001, 99, 801. (4) Margulis, C. J.; Stern, H. A.; Berne, B. J. Computer Simulation of a ’ Green Chemistry ’ Room...Imidazolium Cation. Green Chemistry 2001, 3, 156. (24) Tokuda, H.; Hayamizu, K.; Ishii, K.; Bin Hasan Susan, M. A.; Watanabe, M. Physicochemical Properties

  3. Building America Top Innovations 2012: Building Energy Optimization Analysis Method (BEopt)

    SciTech Connect

    none,

    2013-01-01

    This Building America Top Innovations profile describes the DOE-sponsored BEopt software, which ensures a consistent analysis platform and accurate simulations. Many BEopt algorithms have been adopted by private-sector HERS software tools that have helped improve the energy efficiency of tens-of-thousands of ENERGY STAR-certified homes.

  4. 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.

  5. Energy consumption analysis of the Venus Deep Space Station (DSS-13)

    NASA Technical Reports Server (NTRS)

    Hayes, N. V.

    1983-01-01

    This report continues the energy consumption analysis and verification study of the tracking stations of the Goldstone Deep Space Communications Complex, and presents an audit of the Venus Deep Space Station (DSS 13). Due to the non-continuous radioastronomy research and development operations at the station, estimations of energy usage were employed in the energy consumption simulation of both the 9-meter and 26-meter antenna buildings. A 17.9% decrease in station energy consumption was experienced over the 1979-1981 years under study. A comparison of the ECP computer simulations and the station's main watt-hour meter readings showed good agreement.

  6. Global sensitivity analysis in wind energy assessment

    NASA Astrophysics Data System (ADS)

    Tsvetkova, O.; Ouarda, T. B.

    2012-12-01

    Wind energy is one of the most promising renewable energy sources. Nevertheless, it is not yet a common source of energy, although there is enough wind potential to supply world's energy demand. One of the most prominent obstacles on the way of employing wind energy is the uncertainty associated with wind energy assessment. Global sensitivity analysis (SA) studies how the variation of input parameters in an abstract model effects the variation of the variable of interest or the output variable. It also provides ways to calculate explicit measures of importance of input variables (first order and total effect sensitivity indices) in regard to influence on the variation of the output variable. Two methods of determining the above mentioned indices were applied and compared: the brute force method and the best practice estimation procedure In this study a methodology for conducting global SA of wind energy assessment at a planning stage is proposed. Three sampling strategies which are a part of SA procedure were compared: sampling based on Sobol' sequences (SBSS), Latin hypercube sampling (LHS) and pseudo-random sampling (PRS). A case study of Masdar City, a showcase of sustainable living in the UAE, is used to exemplify application of the proposed methodology. Sources of uncertainty in wind energy assessment are very diverse. In the case study the following were identified as uncertain input parameters: the Weibull shape parameter, the Weibull scale parameter, availability of a wind turbine, lifetime of a turbine, air density, electrical losses, blade losses, ineffective time losses. Ineffective time losses are defined as losses during the time when the actual wind speed is lower than the cut-in speed or higher than the cut-out speed. The output variable in the case study is the lifetime energy production. Most influential factors for lifetime energy production are identified with the ranking of the total effect sensitivity indices. The results of the present

  7. Statistical simulation of the energy spectra of field-emission electrons

    NASA Astrophysics Data System (ADS)

    Egorov, N. V.; Antonov, A. Yu.; Demchenko, N. S.

    2017-02-01

    Random energies of electrons that escape from the source in the course of field emission are simulated using energy spectra. A relationship of the random values of total energy and the energy related to the normal (with respect to surface) component of momentum is established. A family of quadrature formulas needed for the integration of the distribution density of particles is analyzed. A hypothesis on the compliance of selected random energies with desired distribution laws is statistically tested.

  8. Production and destruction of eddy kinetic energy in forced submesoscale eddy-resolving simulations

    NASA Astrophysics Data System (ADS)

    Mukherjee, Sonaljit; Ramachandran, Sanjiv; Tandon, Amit; Mahadevan, Amala

    2016-09-01

    We study the production and dissipation of the eddy kinetic energy (EKE) in a submesoscale eddy field forced with downfront winds using the Process Study Ocean Model (PSOM) with a horizontal grid resolution of 0.5 km. We simulate an idealized 100 m deep mixed-layer front initially in geostrophic balance with a jet in a domain that permits eddies within a range of O(1 km-100 km). The vertical eddy viscosities and the dissipation are parameterized using four different subgrid vertical mixing parameterizations: the k - ɛ , the KPP, and two different constant eddy viscosity and diffusivity profiles with a magnitude of O(10-2m2s-1) in the mixed layer. Our study shows that strong vertical eddy viscosities near the surface reduce the parameterized dissipation, whereas strong vertical eddy diffusivities reduce the lateral buoyancy gradients and consequently the rate of restratification by mixed-layer instabilities (MLI). Our simulations show that near the surface, the spatial variability of the dissipation along the periphery of the eddies depends on the relative alignment of the ageostrophic and geostrophic shear. Analysis of the resolved EKE budgets in the frontal region from the simulations show important similarities between the vertical structure of the EKE budget produced by the k - ɛ and KPP parameterizations, and earlier LES studies. Such an agreement is absent in the simulations using constant eddy-viscosity parameterizations.

  9. Impact Testing and Simulation of a Sinusoid Foam Sandwich Energy Absorber

    NASA Technical Reports Server (NTRS)

    Jackson, Karen E.; Fasanella, Edwin L; Littell, Justin D.

    2015-01-01

    A sinusoidal-shaped foam sandwich energy absorber was developed and evaluated at NASA Langley Research Center through multi-level testing and simulation performed under the Transport Rotorcraft Airframe Crash Testbed (TRACT) research project. The energy absorber, designated the "sinusoid," consisted of hybrid carbon- Kevlar® plain weave fabric face sheets, two layers for each face sheet oriented at +/-45deg with respect to the vertical or crush direction, and a closed-cell ELFOAM(TradeMark) P200 polyisocyanurate (2.0-lb/ft3) foam core. The design goal for the energy absorber was to achieve an average floor-level acceleration of between 25- and 40-g during the full-scale crash test of a retrofitted CH-46E helicopter airframe, designated TRACT 2. Variations in the design were assessed through quasi-static and dynamic crush testing of component specimens. Once the design was finalized, a 5-ft-long subfloor beam was fabricated and retrofitted into a barrel section of a CH-46E helicopter. A vertical drop test of the barrel section was conducted onto concrete to evaluate the performance of the energy absorber prior to retrofit into TRACT 2. Finite element models were developed of all test articles and simulations were performed using LSDYNA ®, a commercial nonlinear explicit transient dynamic finite element code. Test analysis results are presented for the sinusoid foam sandwich energy absorber as comparisons of load-displacement and acceleration-time-history responses, as well as predicted and experimental structural deformations and progressive damage for each evaluation level (component testing through barrel section drop testing).

  10. Simplifications of Simulation on Energy Balances and Estimations of a Hybrid Renewable Energy System for Use in Cold Climate Regions

    NASA Astrophysics Data System (ADS)

    Akpan, Itoro Etim; Sasaki, Masafumi; Endoh, Noboru

    A simplified double grade meteorological data model for the simulation of the annual performance of a domestic-size renewable energy system is proposed. With the model, only two representative days (clearest and cloudiest) during each season of the year are necessary to estimate annual energy balances, carbon emissions and the running costs. The model was chosen in preference to other simplified models based on the error distributions from the results of the continuous simulations in a test period. Detailed numerical simulation studies show that the carbon emissions from the renewable energy system are about 16%of a comparable conventional system. The thermal energy produced by a solar collector during the winter season, however, is insufficient to meet all the loads so that frequent heat pump operations and the auxiliary boiler are necessary in cold climate regions.

  11. Modeling and Simulation of a Gallium Nitride (GaN) Betavoltaic Energy Converter

    DTIC Science & Technology

    2016-06-01

    ARL-TR-7675 ● JUNE 2016 US Army Research Laboratory Modeling and Simulation of a Gallium Nitride (GaN) Betavoltaic Energy ...Laboratory Modeling and Simulation of a Gallium Nitride (GaN) Betavoltaic Energy Converter by Marc S Litz and Johnny A Russo Sensors and Electron...GaN) Betavoltaic Energy Converter 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) William B Ray II, Marc S

  12. 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.

  13. Accuracy and precision of free-energy calculations via molecular simulation

    NASA Astrophysics Data System (ADS)

    Lu, Nandou

    A quantitative characterization of the methodologies of free-energy perturbation (FEP) calculations is presented, and optimal implementation of the methods for reliable and efficient calculation is addressed. Some common misunderstandings in the FEP calculations are corrected. The two opposite directions of FEP calculations are uniquely defined as generalized insertion and generalized deletion, according to the entropy change along the perturbation direction. These two calculations are not symmetric; they produce free-energy results differing systematically due to the different capability of each to sample the important phase-space in a finite-length simulation. The FEP calculation errors are quantified by characterizing the simulation sampling process with the help of probability density functions for the potential energy change. While the random error in the FEP calculation is analyzed with a probabilistic approach, the systematic error is characterized as the most-likely inaccuracy, which is modeled considering the poor sampling of low-probability energy distribution tails. Our analysis shows that the entropy difference between the perturbation systems plays a key role in determining the reliability of FEP results, and the perturbation should be carried out in the insertion direction in order to ensure a good sampling and thus a reliable calculation. Easy-to-use heuristics are developed to estimate the simulation errors, as well as the simulation length that ensures a certain accuracy level of the calculation. The fundamental understanding obtained is then applied to tackle the problem of multistage FEP optimization. We provide the first principle of optimal staging: For each substage FEP calculation, the higher entropy system should be used as the reference to govern the sampling, i.e., the calculation should be conducted in the generalized insertion direction for each stage of perturbation. To minimize the simulation error, intermediate states should be

  14. Analysis and design optimization of organic dye sensitized solar cell based on simulation

    NASA Astrophysics Data System (ADS)

    Pala, Jay; Mordiya, Meet; Virpariya, Dhruv; Dangodara, Ankita; Gandha, Pinal; Savaliya, Chirag R.; Joseph, Joyce; Shiyani, Tulshi; Dhruv, Davit; Markna, J. H.

    2017-05-01

    In the present communication, simulation of multilayers organic dye-sensitized based solar cells (DSSC) was performed because of its tremendous application in different solar energy harvesting devices and their relatively high efficiency as well as cost effectiveness.J-V and I-V curves ofmultilayer organic dye sensitized solar cell with combination of different dyes were simulated to study the performance in the vicinity of efficiency. On the basis of above parameters, optimum design and operating parameters were derived from the simulation based analysis. It had been jointly shown that a systematic variation of different dye material and its thicknessare highly useful in achieving optimum efficiency of energy harvesting devices.

  15. Strategic Plan for Nuclear Energy -- Knowledge Base for Advanced Modeling and Simulation (NE-KAMS)

    SciTech Connect

    Rich Johnson; Kimberlyn C. Mousseau; Hyung Lee

    2011-09-01

    NE-KAMS knowledge base will assist computational analysts, physics model developers, experimentalists, nuclear reactor designers, and federal regulators by: (1) Establishing accepted standards, requirements and best practices for V&V and UQ of computational models and simulations, (2) Establishing accepted standards and procedures for qualifying and classifying experimental and numerical benchmark data, (3) Providing readily accessible databases for nuclear energy related experimental and numerical benchmark data that can be used in V&V assessments and computational methods development, (4) Providing a searchable knowledge base of information, documents and data on V&V and UQ, and (5) Providing web-enabled applications, tools and utilities for V&V and UQ activities, data assessment and processing, and information and data searches. From its inception, NE-KAMS will directly support nuclear energy research, development and demonstration programs within the U.S. Department of Energy (DOE), including the Consortium for Advanced Simulation of Light Water Reactors (CASL), the Nuclear Energy Advanced Modeling and Simulation (NEAMS), the Light Water Reactor Sustainability (LWRS), the Small Modular Reactors (SMR), and the Next Generation Nuclear Power Plant (NGNP) programs. These programs all involve computational modeling and simulation (M&S) of nuclear reactor systems, components and processes, and it is envisioned that NE-KAMS will help to coordinate and facilitate collaboration and sharing of resources and expertise for V&V and UQ across these programs. In addition, from the outset, NE-KAMS will support the use of computational M&S in the nuclear industry by developing guidelines and recommended practices aimed at quantifying the uncertainty and assessing the applicability of existing analysis models and methods. The NE-KAMS effort will initially focus on supporting the use of computational fluid dynamics (CFD) and thermal hydraulics (T/H) analysis for M&S of nuclear

  16. CURRENT SHEET ENERGETICS, FLARE EMISSIONS, AND ENERGY PARTITION IN A SIMULATED SOLAR ERUPTION

    SciTech Connect

    Reeves, Katharine K.; Linker, Jon A.; Mikic, Zoran; Forbes, Terry G. E-mail: linkerj@predsci.co E-mail: terry.forbes@unh.ed

    2010-10-01

    We investigate coronal energy flow during a simulated coronal mass ejection (CME). We model the CME in the context of the global corona using a 2.5D numerical MHD code in spherical coordinates that includes coronal heating, thermal conduction, and radiative cooling in the energy equation. The simulation domain extends from 1 to 20 R{sub s} . To our knowledge, this is the first attempt to apply detailed energy diagnostics in a flare/CME simulation when these important terms are considered in the context of the MHD equations. We find that the energy conservation properties of the code are quite good, conserving energy to within 4% for the entire simulation (more than 6 days of real time). We examine the energy release in the current sheet as the eruption takes place, and find, as expected, that the Poynting flux is the dominant carrier of energy into the current sheet. However, there is a significant flow of energy out of the sides of the current sheet into the upstream region due to thermal conduction along field lines and viscous drag. This energy outflow is spatially partitioned into three separate components, namely, the energy flux flowing out the sides of the current sheet, the energy flowing out the lower tip of the current sheet, and the energy flowing out the upper tip of the current sheet. The energy flow through the lower tip of the current sheet is the energy available for heating of the flare loops. We examine the simulated flare emissions and energetics due to the modeled CME and find reasonable agreement with flare loop morphologies and energy partitioning in observed solar eruptions. The simulation also provides an explanation for coronal dimming during eruptions and predicts that the structures surrounding the current sheet are visible in X-ray observations.

  17. Simulation of electricity demand in a remote island for optimal planning of a hybrid renewable energy system

    NASA Astrophysics Data System (ADS)

    Koskinas, Aristotelis; Zacharopoulou, Eleni; Pouliasis, George; Engonopoulos, Ioannis; Mavroyeoryos, Konstantinos; Deligiannis, Ilias; Karakatsanis, Georgios; Dimitriadis, Panayiotis; Iliopoulou, Theano; Koutsoyiannis, Demetris; Tyralis, Hristos

    2017-04-01

    We simulate the electrical energy demand in the remote island of Astypalaia. To this end we first obtain information regarding the local socioeconomic conditions and energy demand. Secondly, the available hourly demand data are analysed at various time scales (hourly, weekly, daily, seasonal). The cross-correlations between the electrical energy demand and the mean daily temperature as well as other climatic variables for the same time period are computed. Also, we investigate the cross-correlation between those climatic variables and other variables related to renewable energy resources from numerous observations around the globe in order to assess the impact of each one to a hybrid renewable energy system. An exploratory data analysis including all variables is performed with the purpose to find hidden relationships. Finally, the demand is simulated considering all the periodicities found in the analysis. The simulation time series will be used in the development of a framework for planning of a hybrid renewable energy system in Astypalaia. Acknowledgement: This research is conducted within the frame of the undergraduate course "Stochastic Methods in Water Resources" of the National Technical University of Athens (NTUA). The School of Civil Engineering of NTUA provided moral support for the participation of the students in the Assembly.

  18. Reactor Subsystem Simulation for Nuclear Hybrid Energy Systems

    SciTech Connect

    Shannon Bragg-Sitton; J. Michael Doster; Alan Rominger

    2012-09-01

    Preliminary system models have been developed by Idaho National Laboratory researchers and are currently being enhanced to assess integrated system performance given multiple sources (e.g., nuclear + wind) and multiple applications (i.e., electricity + process heat). Initial efforts to integrate a Fortran-based simulation of a small modular reactor (SMR) with the balance of plant model have been completed in FY12. This initial effort takes advantage of an existing SMR model developed at North Carolina State University to provide initial integrated system simulation for a relatively low cost. The SMR subsystem simulation details are discussed in this report.

  19. Achieving Actionable Results from Available Inputs: Metamodels Take Building Energy Simulations One Step Further

    SciTech Connect

    Horsey, Henry; Fleming, Katherine; Ball, Brian; Long, Nicholas

    2016-08-26

    Modeling commercial building energy usage can be a difficult and time-consuming task. The increasing prevalence of optimization algorithms provides one path for reducing the time and difficulty. Many use cases remain, however, where information regarding whole-building energy usage is valuable, but the time and expertise required to run and post-process a large number of building energy simulations is intractable. A relatively underutilized option to accurately estimate building energy consumption in real time is to pre-compute large datasets of potential building energy models, and use the set of results to quickly and efficiently provide highly accurate data. This process is called metamodeling. In this paper, two case studies are presented demonstrating the successful applications of metamodeling using the open-source OpenStudio Analysis Framework. The first case study involves the U.S. Department of Energy's Asset Score Tool, specifically the Preview Asset Score Tool, which is designed to give nontechnical users a near-instantaneous estimated range of expected results based on building system-level inputs. The second case study involves estimating the potential demand response capabilities of retail buildings in Colorado. The metamodel developed in this second application not only allows for estimation of a single building's expected performance, but also can be combined with public data to estimate the aggregate DR potential across various geographic (county and state) scales. In both case studies, the unique advantages of pre-computation allow building energy models to take the place of topdown actuarial evaluations. This paper ends by exploring the benefits of using metamodels and then examines the cost-effectiveness of this approach.

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

    NASA Astrophysics Data System (ADS)

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

    1994-01-01

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

  1. Study on the validity region of Energy Finite Element Analysis

    NASA Astrophysics Data System (ADS)

    Kong, Xiangjie; Chen, Hualing; Zhu, Danhui; Zhang, Wenbo

    2014-04-01

    The validity domain of Energy Finite Element Analysis (EFEA) is studied in this paper. The validity region and criterion of EFEA are studied theoretically from the formation of reverberant plane wave field, one of the main assumptions of EFEA. The studies are acquired by virtue of the equation of radiative energy transfer method, a similar wave method that can express the direct field and its conversion relationship with reverberant field exactly. The result shows that the SEA criterion of diffuse field derived by Le Bot can be used as a good indicator for the EFEA validity. Numerical simulations on a rectangular plate with different physical parameters are applied to validate the criterion. The validity region and the diagrams of validity of EFEA are assessed and discussed. Some noteworthy conclusions about EFEA are drawn.

  2. Enabling Precise Measurements of Dark Energy Through Numerical Simulations of Weak Gravitational Lensing

    NASA Astrophysics Data System (ADS)

    Rhodes, Jason

    The nature of dark energy, thought to be driving the accelerating expansion of the Universe, is one of the most compelling mysteries in all of science. Determining the equation-of-state of dark energy to 1% accuracy is currently a leading goal for many planned cosmological surveys and numerical simulations of structure formation are required to make predictions and help mitigate systematics for upcoming surveys such as NASA’s Wide-Field Infrared Survey Telescope (WFIRST), ESA’s Euclid and the Large Synoptic Survey Telescope (LSST). We propose to: 1) Enhance our weak lensing simulation pipeline, SUNGLASS, to include galaxy intrinsic alignments 2) Develop and test intrinsic alignment mitigation techniques 3) Generate high precision covariance matrices and determine the precision required to measure the equation-of-state of dark energy to 1% 4) Develop a covariance emulator Our SUNGLASS pipeline (Simulated UNiverses for Gravitational Lensing Analysis and Shear Surveys; Kiessling et al. 2011a) is able to produce Monte Carlo suites of numerical simulations and rapidly generates mock weak lensing galaxy shear catalogues. We propose to enhance the SUNGLASS pipeline to include realistic galaxy properties using the Galacticus software (Benson 2012). With the realistic galaxy properties made available from Galacticus, we will be able to place realistic intrinsic alignment (IA) signals, where galaxy shapes are correlated due to their physical proximity, into the mock catalogues. Using the SUNGLASS/Galacticus catalogues, we propose to reduce the degrees of freedom in a plausible IA model and find optimal methods of controlling IA through removal techniques and modeling. It is currently unknown how accurate a covariance matrix needs to be in order to measure the equation-of-state of dark energy to 1%. We will directly generate the matrices with 10^4 independent N-body realizations for a LCDM cosmology to test how errors propagate through the non-linear modes and compare

  3. Energy analysis of convectively induced wind perturbations

    NASA Technical Reports Server (NTRS)

    Fuelberg, Henry E.; Buechler, Dennis E.

    1989-01-01

    Budgets of divergent and rotational components of kinetic energy (KD and KR) are examined for four upper level wind speed maxima that develop during the fourth Atmospheric Variability Experiment (AVE IV) and the first AVE-Severe Environmental Storms and Mesoscale Experiment (AVE-SESAME I). A similar budget analysis is performed for a low-level jet stream during AVE-SESAME I. The energetics of the four upper level speed maxima is found to have several similarities. The dominant source of KD is cross-contour flow by the divergent wind, and KD provides a major source of KR via a conversion process. Conversion from available potential energy provides an additional source of KR in three of the cases. Horizontal maps reveal that the conversions involving KD are maximized in regions poleward of the convection. Low-level jet development during AVE-SESAME I appears to be assisted by convective activity to the west.

  4. Improving Energy Efficiency for the Vehicle Assembly Industry: A Discrete Event Simulation Approach

    NASA Astrophysics Data System (ADS)

    Oumer, Abduaziz; Mekbib Atnaw, Samson; Kie Cheng, Jack; Singh, Lakveer

    2016-11-01

    This paper presented a Discrete Event Simulation (DES) model for investigating and improving energy efficiency in vehicle assembly line. The car manufacturing industry is one of the highest energy consuming industries. Using Rockwell Arena DES package; a detailed model was constructed for an actual vehicle assembly plant. The sources of energy considered in this research are electricity and fuel; which are the two main types of energy sources used in a typical vehicle assembly plant. The model depicts the performance measurement for process- specific energy measures of painting, welding, and assembling processes. Sound energy efficiency model within this industry has two-fold advantage: reducing CO2 emission and cost reduction associated with fuel and electricity consumption. The paper starts with an overview of challenges in energy consumption within the facilities of automotive assembly line and highlights the parameters for energy efficiency. The results of the simulation model indicated improvements for energy saving objectives and reduced costs.

  5. Evaluation of tools for renewable energy policy analysis: The renewable energy penetration model

    SciTech Connect

    Engle, J.

    1994-04-01

    The Energy Policy Act of 1992 establishes a program to support development of renewable energy technologies including a production incentive to public power utilities. Because there is a wide range of possible policy actions that could be taken to increase electric market share for renewables, modeling tools are needed to help make informed decisions regarding future policy. Previous energy modeling tools did not contain the regional or infrastructure focus necessary to examine renewable technologies. As a result, the Department of Energy Office of Utility Technologies (OUT) supported the development of tools for renewable energy policy analysis. Three models were developed: The Renewable Energy Penetration (REP) model, which is a spreadsheet model for determining first-order estimates of policy effects for each of the ten federal regions; the Ten Federal Region Model (TFRM), which employs utility capacity expansion and dispatching decisions; and the Regional Electric Policy Analysis Model (REPAM) which was constructed to allow detailed insight into interactions between policy and technology within an individual region. In 1993, the OUT supported the Oak Ridge Institute of Science and Education (ORISE) to form an expert panel to provide an independent review of the REP model and TFRM. This report contains the panel`s evaluation of the REP model; the TFRM is evaluated in a companion report. The panel did not review the REPAM. The panel met for a second time in January 1994 to discuss model simulations and deliberate regarding evaluation outcomes. This report is largely a result of this second meeting. The remainder of this chapter provides a description of the REP model and summarizes the panel`s findings. Individual chapters examine various aspects of the model: demand and load, capacity expansion, dispatching and production costing, reliability, renewables, storage, transmission, financial and regulatory concerns, and environmental effects.

  6. NREL Evaluates the Thermal Performance of Uninsulated Walls to Improve the Accuracy of Building Energy Simulation Tools (Fact Sheet)

    SciTech Connect

    Not Available

    2012-01-01

    This technical highlight describes NREL research to develop models of uninsulated wall assemblies that help to improve the accuracy of building energy simulation tools when modeling potential energy savings in older homes. Researchers at the National Renewable Energy Laboratory (NREL) have developed models for evaluating the thermal performance of walls in existing homes that will improve the accuracy of building energy simulation tools when predicting potential energy savings of existing homes. Uninsulated walls are typical in older homes where the wall cavities were not insulated during construction or where the insulating material has settled. Accurate calculation of heat transfer through building enclosures will help determine the benefit of energy efficiency upgrades in order to reduce energy consumption in older American homes. NREL performed detailed computational fluid dynamics (CFD) analysis to quantify the energy loss/gain through the walls and to visualize different airflow regimes within the uninsulated cavities. The effects of ambient outdoor temperature, radiative properties of building materials, and insulation level were investigated. The study showed that multi-dimensional airflows occur in walls with uninsulated cavities and that the thermal resistance is a function of the outdoor temperature - an effect not accounted for in existing building energy simulation tools. The study quantified the difference between CFD prediction and the approach currently used in building energy simulation tools over a wide range of conditions. For example, researchers found that CFD predicted lower heating loads and slightly higher cooling loads. Implementation of CFD results into building energy simulation tools such as DOE2 and EnergyPlus will likely reduce the predicted heating load of homes. Researchers also determined that a small air gap in a partially insulated cavity can lead to a significant reduction in thermal resistance. For instance, a 4-in. tall air gap

  7. Energy decomposition analysis in an adiabatic picture.

    PubMed

    Mao, Yuezhi; Horn, Paul R; Head-Gordon, Martin

    2017-02-22

    Energy decomposition analysis (EDA) of electronic structure calculations has facilitated quantitative understanding of diverse intermolecular interactions. Nevertheless, such analyses are usually performed at a single geometry and thus decompose a "single-point" interaction energy. As a result, the influence of the physically meaningful EDA components on the molecular structure and other properties are not directly obtained. To address this gap, the absolutely localized molecular orbital (ALMO)-EDA is reformulated in an adiabatic picture, where the frozen, polarization, and charge transfer energy contributions are defined as energy differences between the stationary points on different potential energy surfaces (PESs), which are accessed by geometry optimizations at the frozen, polarized and fully relaxed levels of density functional theory (DFT). Other molecular properties such as vibrational frequencies can thus be obtained at the stationary points on each PES. We apply the adiabatic ALMO-EDA to different configurations of the water dimer, the water-Cl(-) and water-Mg(2+)/Ca(2+) complexes, metallocenes (Fe(2+), Ni(2+), Cu(2+), Zn(2+)), and the ammonia-borane complex. This method appears to be very useful for unraveling how physical effects such as polarization and charge transfer modulate changes in molecular properties induced by intermolecular interactions. As an example of the insight obtained, we find that a linear hydrogen bond geometry for the water dimer is preferred even without the presence of polarization and charge transfer, while the red shift in the OH stretch frequency is primarily a charge transfer effect; by contrast, a near-linear geometry for the water-chloride hydrogen bond is achieved only when charge transfer is allowed.

  8. Vibrational energy flow in the villin headpiece subdomain: Master equation simulations

    SciTech Connect

    Leitner, David M. E-mail: stock@physik.uni-freiburg.de; Buchenberg, Sebastian; Brettel, Paul; Stock, Gerhard E-mail: stock@physik.uni-freiburg.de

    2015-02-21

    We examine vibrational energy flow in dehydrated and hydrated villin headpiece subdomain HP36 by master equation simulations. Transition rates used in the simulations are obtained from communication maps calculated for HP36. In addition to energy flow along the main chain, we identify pathways for energy transport in HP36 via hydrogen bonding between residues quite far in sequence space. The results of the master equation simulations compare well with all-atom non-equilibrium simulations to about 1 ps following initial excitation of the protein, and quite well at long times, though for some residues we observe deviations between the master equation and all-atom simulations at intermediate times from about 1–10 ps. Those deviations are less noticeable for hydrated than dehydrated HP36 due to energy flow into the water.

  9. Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum.

    PubMed

    Ngaojampa, Chanisorn; Nimmanpipug, Piyarat; Yu, Liangdeng; Anuntalabhochai, Somboon; Lee, Vannajan Sanghiran

    2010-02-26

    For investigating mechanisms involved in low-energy ion beam induced mutation, besides experiments using low-energy and low-fluence ions to bombard naked DNA, molecular simulations were carried out as an effort towards the insight in molecular interactions between ions and DNA. In the current study, Monte Carlo (MC) and molecular dynamics (MD) simulations were applied. The results of MC simulations provide some clues about the interaction energies and sites of preference of N-ion bombardment on an A-DNA short duplex strand. MD simulations of a single N-ion moving towards the same DNA strand with different linear velocities corresponding to bombardment energies of 0.1, 1, 10 and 100 eV revealed information about changes in bond lengths and visibly distorted structures of bombarded nucleotides. The simulations demonstrated that ion-bombardment-induced DNA change in structure was not a random but preferential effect. Copyright 2009 Elsevier Inc. All rights reserved.

  10. Issues in International Energy Consumption Analysis: Canadian Energy Demand

    EIA Publications

    2015-01-01

    The residential sector is one of the main end-use sectors in Canada accounting for 16.7% of total end-use site energy consumption in 2009 (computed from NRCan 2012. pp, 4-5). In this year, the residential sector accounted for 54.5% of buildings total site energy consumption. Between 1990 and 2009, Canadian household energy consumption grew by less than 11%. Nonetheless, households contributed to 14.6% of total energy-related greenhouse gas emissions in Canada in 2009 (computed from NRCan 2012). This is the U.S. Energy Information Administration’s second study to help provide a better understanding of the factors impacting residential energy consumption and intensity in North America (mainly the United States and Canada) by using similar methodology for analyses in both countries.

  11. Dedicated SAR simulation tools for ATR and scene analysis

    NASA Astrophysics Data System (ADS)

    Hammer, Horst; Schulz, Karsten

    2011-11-01

    At Fraunhofer IOSB the SAR simulator suite CohRaSS (Coherent Raytracing SAR Simulator) dedicated to different, sometimes contradictory purposes is being developed. These include the simulation of very large scenes at high resolution for scene analysis purposes, the simulation of large quantities of training chips for classification and the very fast but less realistic simulation of scenes for use in the training of image analysts. These tasks have very different requirements for the simulation that cannot be met by one single program. Thus different, custom-tailored approaches for each of these tasks are being developed. This paper deals with the main aspects concerning the simulation of training chips for ATR and the simulation of large scenes at very high resolution. Special focus is set on the different approaches used for these tasks from a computational point of view. For both simulators, sample simulated images are shown.

  12. 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.

  13. Recent advances in statistical energy analysis

    NASA Technical Reports Server (NTRS)

    Heron, K. H.

    1992-01-01

    Statistical Energy Analysis (SEA) has traditionally been developed using modal summation and averaging approach, and has led to the need for many restrictive SEA assumptions. The assumption of 'weak coupling' is particularly unacceptable when attempts are made to apply SEA to structural coupling. It is now believed that this assumption is more a function of the modal formulation rather than a necessary formulation of SEA. The present analysis ignores this restriction and describes a wave approach to the calculation of plate-plate coupling loss factors. Predictions based on this method are compared with results obtained from experiments using point excitation on one side of an irregular six-sided box structure. Conclusions show that the use and calculation of infinite transmission coefficients is the way forward for the development of a purely predictive SEA code.

  14. Automatic subsystem identification in statistical energy analysis

    NASA Astrophysics Data System (ADS)

    Díaz-Cereceda, Cristina; Poblet-Puig, Jordi; Rodríguez-Ferran, Antonio

    2015-03-01

    An automatic methodology for identifying SEA (statistical energy analysis) subsystems within a vibroacoustic system is presented. It consists in dividing the system into cells and grouping them into subsystems via a hierarchical cluster analysis based on the problem eigenmodes. The subsystem distribution corresponds to the optimal grouping of the cells, which is defined in terms of the correlation distance between them. The main advantages of this methodology are its automatic performance and its applicability both to vibratory and vibroacoustic systems. Moreover, the method allows the definition of more than one subsystem in the same geometrical region when required. This is the case of eigenmodes with a very different mechanical response (e.g. out-of-plane or in-plane vibration in shells).

  15. Energy transfer and constrained simulations in isotropic turbulence

    NASA Technical Reports Server (NTRS)

    Jimenez, Javier

    1993-01-01

    The defining characteristic of turbulent flows is their ability to dissipate energy, even in the limit of zero viscosity. The Euler equations, if constrained in such a way that the velocity derivatives remain bounded, conserve energy. But when they arise as the limit of the Navier-Stokes (NS) equations, when the Reynolds number goes to infinity, there is persuasive empirical evidence that the gradients become singular as just the right function of Re for the dissipation to remain non-zero and to approach a well defined limit. It is generally believed that this limiting value of the dissipation is a property of the Euler equations themselves, independent of the particular dissipative mechanism involved, and that it can be normalized with the large scale properties of the turbulent flow (e.g. the kinetic energy per unit volume u'(exp 2)/2, and the integral scale L) without reference to the Reynolds number or to other dissipative quantities. This is usually taken to imply that the low wave number end of the energy spectrum, far from the dissipative range, is also independent of the particular mechanism chosen to dispose of the energy transfer. In the following sections, we present some numerical experiments on the effect of substituting different dissipation models into the truncated Euler equations. We will see that the effect is mainly felt in the 'near dissipation' range of the energy spectrum, but that this range can be quite wide in some cases, contaminating a substantial range of w