High Energy Electron Detection with ATIC

NASA Technical Reports Server (NTRS)

Chang, J.; Schmidt, W. K. H.; Adams, James H., Jr.; Ahn, H.; Ampe, J.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

The ATIC (Advanced Thin Ionization Calorimeter) balloon-borne ionization calorimeter is well suited to record and identify high energy cosmic ray electrons. The instrument was exposed to high-energy beams at CERN H2 bean-dine in September of 1999. We have simulated the performance of the instrument, and compare the simulations with actual high energy electron exposures at the CERN accelerator. Simulations and measurements do not compare exactly, in detail, but overall the simulations have predicted actual measured behavior quite well.

High Performance Computing Meets Energy Efficiency - Continuum Magazine |

Science.gov Websites

NREL High Performance Computing Meets Energy Efficiency High Performance Computing Meets Energy turbines. Simulation by Patrick J. Moriarty and Matthew J. Churchfield, NREL The new High Performance Computing Data Center at the National Renewable Energy Laboratory (NREL) hosts high-speed, high-volume data

Energy performance analysis of a detached single-family house to be refurbished

NASA Astrophysics Data System (ADS)

Aleixo, Kevin; Curado, António

2017-07-01

This study was developed with the purpose of analyzing the reinforcement of the energy performance in a detached single-family house to be refurbished, using this building as a case-study for simulation and experimental analysis. The building is located in Viana do Castelo, a city in the northwest of Portugal nearby the Atlantic Ocean. The developed study was carried out in order to characterize the thermal performance of the house, using simulation analysis in a dynamic regime. The energy consumption study was developed in permanent regime analysis, using simulation tools. At the end, the study aimed to propose and define the best retrofitting solutions, both passive and active, and to improve the energy performance of the building. The outcomes of the study provided the importance of passive retrofitting solutions on thermal comfort and energy performance. The use of a set of thermal solutions, as the insulation of the roof, walls and the windows, it is possible to achieve a global gain of 0, 63 °C and to reduce energy consumption in 61, 46 [kWh/m2.year]. The study of the building in a simplified thermal regime, according to the Portuguese energy efficiency regulation, allowed the determination of the energy efficiency class of the house and retrofitting solutions proposed. The initial energy performance class of the building is C. With the application of a passive set of solutions, it's possible to improve the energy performance to a class B. With the implementation of some active solutions, it is possible to reach an energy class A +.

Development of a group contribution method for estimating free energy of peptides in a dodecane-water system via molecular dynamic simulations.

PubMed

Mora Osorio, Camilo Andrés; González Barrios, Andrés Fernando

2016-12-07

Calculation of the Gibbs free energy changes of biological molecules at the oil-water interface is commonly performed with Molecular Dynamics simulations (MD). It is a process that could be performed repeatedly in order to find some molecules of high stability in this medium. Here, an alternative method of calculation has been proposed: a group contribution method (GCM) for peptides based on MD of the twenty classic amino acids to obtain free energy change during the insertion of any peptide chain in water-dodecane interfaces. Multiple MD of the twenty classic amino acids located at the interface of rectangular simulation boxes with a dodecane-water medium were performed. A GCM to calculate the free energy of entire peptides is then proposed. The method uses the summation of the Gibbs free energy of each amino acid adjusted in function of its presence or absence in the chain as well as its hydrophobic characteristics. Validation of the equation was performed with twenty-one peptides all simulated using MD in dodecane-water rectangular boxes in previous work, obtaining an average relative error of 16%.

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 information from BIMs to inform energy simulation and their engagement level with BIM and/or energy simulation. However, green design stakeholder perceptions of the value associated with using information from BIMs to inform energy simulation and their engagement with BIM and/or energy simulation may differ between different user groups (i.e. BIM users only, energy simulation users only, and BIM and energy simulation users). For example, the BIM-only user groups appeared to have a strong positive correlation between the perceptions of the value associated with using information from BIMs to inform energy simulation and their engagement with BIM. Additionally, this study suggests that the top perceived benefits of using BIMs to inform energy simulations among green design stakeholders are: facilitation of communication, reducing of process related costs, and giving users the ability examine more design options. The main perceived barrier of using BIMs to inform energy simulations among green design stakeholders was a lack of BIM standards for model integration with multidisciplinary teams. Results from this study will help readers understand how to better implement BIM-based energy simulation while mitigating barriers and optimizing benefits. Additionally, examining discrepancies between user groups can lead the identification and improvement of shortfalls in current BIM-based energy simulation processes. Understanding how perceptions and engagement levels differ among different software user groups will help in developing a strategies for implementing BIM-based energy simulation that are tailored to each specific user group.

Predicting Energy Performance of a Net-Zero Energy Building: A Statistical Approach

PubMed Central

Kneifel, Joshua; Webb, David

2016-01-01

Performance-based building requirements have become more prevalent because it gives freedom in building design while still maintaining or exceeding the energy performance required by prescriptive-based requirements. In order to determine if building designs reach target energy efficiency improvements, it is necessary to estimate the energy performance of a building using predictive models and different weather conditions. Physics-based whole building energy simulation modeling is the most common approach. However, these physics-based models include underlying assumptions and require significant amounts of information in order to specify the input parameter values. An alternative approach to test the performance of a building is to develop a statistically derived predictive regression model using post-occupancy data that can accurately predict energy consumption and production based on a few common weather-based factors, thus requiring less information than simulation models. A regression model based on measured data should be able to predict energy performance of a building for a given day as long as the weather conditions are similar to those during the data collection time frame. This article uses data from the National Institute of Standards and Technology (NIST) Net-Zero Energy Residential Test Facility (NZERTF) to develop and validate a regression model to predict the energy performance of the NZERTF using two weather variables aggregated to the daily level, applies the model to estimate the energy performance of hypothetical NZERTFs located in different cities in the Mixed-Humid climate zone, and compares these estimates to the results from already existing EnergyPlus whole building energy simulations. This regression model exhibits agreement with EnergyPlus predictive trends in energy production and net consumption, but differs greatly in energy consumption. The model can be used as a framework for alternative and more complex models based on the experimental data collected from the NZERTF. PMID:27956756

Predicting Energy Performance of a Net-Zero Energy Building: A Statistical Approach.

PubMed

Kneifel, Joshua; Webb, David

2016-09-01

Performance-based building requirements have become more prevalent because it gives freedom in building design while still maintaining or exceeding the energy performance required by prescriptive-based requirements. In order to determine if building designs reach target energy efficiency improvements, it is necessary to estimate the energy performance of a building using predictive models and different weather conditions. Physics-based whole building energy simulation modeling is the most common approach. However, these physics-based models include underlying assumptions and require significant amounts of information in order to specify the input parameter values. An alternative approach to test the performance of a building is to develop a statistically derived predictive regression model using post-occupancy data that can accurately predict energy consumption and production based on a few common weather-based factors, thus requiring less information than simulation models. A regression model based on measured data should be able to predict energy performance of a building for a given day as long as the weather conditions are similar to those during the data collection time frame. This article uses data from the National Institute of Standards and Technology (NIST) Net-Zero Energy Residential Test Facility (NZERTF) to develop and validate a regression model to predict the energy performance of the NZERTF using two weather variables aggregated to the daily level, applies the model to estimate the energy performance of hypothetical NZERTFs located in different cities in the Mixed-Humid climate zone, and compares these estimates to the results from already existing EnergyPlus whole building energy simulations. This regression model exhibits agreement with EnergyPlus predictive trends in energy production and net consumption, but differs greatly in energy consumption. The model can be used as a framework for alternative and more complex models based on the experimental data collected from the NZERTF.

Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations.

PubMed

Mori, Yoshiharu; Okamoto, Yuko

2013-02-01

A simulated tempering method, which is referred to as simulated-tempering umbrella sampling, for calculating the free energy of chemical reactions is proposed. First principles molecular dynamics simulations with this simulated tempering were performed to study the intramolecular proton transfer reaction of malonaldehyde in an aqueous solution. Conformational sampling in reaction coordinate space can be easily enhanced with this method, and the free energy along a reaction coordinate can be calculated accurately. Moreover, the simulated-tempering umbrella sampling provides trajectory data more efficiently than the conventional umbrella sampling method.

USING TIME VARIANT VOLTAGE TO CALCULATE ENERGY CONSUMPTION AND POWER USE OF BUILDING SYSTEMS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makhmalbaf, Atefe; Augenbroe , Godfried

2015-12-09

Buildings are the main consumers of electricity across the world. However, in the research and studies related to building performance assessment, the focus has been on evaluating the energy efficiency of buildings whereas the instantaneous power efficiency has been overlooked as an important aspect of total energy consumption. As a result, we never developed adequate models that capture both thermal and electrical characteristics (e.g., voltage) of building systems to assess the impact of variations in the power system and emerging technologies of the smart grid on buildings energy and power performance and vice versa. This paper argues that the powermore » performance of buildings as a function of electrical parameters should be evaluated in addition to systems’ mechanical and thermal behavior. The main advantage of capturing electrical behavior of building load is to better understand instantaneous power consumption and more importantly to control it. Voltage is one of the electrical parameters that can be used to describe load. Hence, voltage dependent power models are constructed in this work and they are coupled with existing thermal energy models. Lack of models that describe electrical behavior of systems also adds to the uncertainty of energy consumption calculations carried out in building energy simulation tools such as EnergyPlus, a common building energy modeling and simulation tool. To integrate voltage-dependent power models with thermal models, the thermal cycle (operation mode) of each system was fed into the voltage-based electrical model. Energy consumption of systems used in this study were simulated using EnergyPlus. Simulated results were then compared with estimated and measured power data. The mean square error (MSE) between simulated, estimated, and measured values were calculated. Results indicate that estimated power has lower MSE when compared with measured data than simulated results. Results discussed in this paper will illustrate the significance of enhancing building energy models with electrical characteristics. This would support different studies such as those related to modernization of the power system that require micro scale building-grid interaction, evaluating building energy efficiency with power efficiency considerations, and also design and control decisions that rely on accuracy of building energy simulation results.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 Energymore » 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.« less

Dual Arm Work Package performance estimates and telerobot task network simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Draper, J.V.; Blair, L.M.

1997-02-01

This paper describes the methodology and results of a network simulation study of the Dual Arm Work Package (DAWP), to be employed for dismantling the Argonne National Laboratory CP-5 reactor. The development of the simulation model was based upon the results of a task analysis for the same system. This study was performed by the Oak Ridge National Laboratory (ORNL), in the Robotics and Process Systems Division. Funding was provided the US Department of Energy`s Office of Technology Development, Robotics Technology Development Program (RTDP). The RTDP is developing methods of computer simulation to estimate telerobotic system performance. Data were collectedmore » to provide point estimates to be used in a task network simulation model. Three skilled operators performed six repetitions of a pipe cutting task representative of typical teleoperation cutting operations.« less

IEA EBC Annex 66: Definition and simulation of occupant behavior in buildings

DOE PAGES

Yan, Da; Hong, Tianzhen; Dong, Bing; ...

2017-09-28

Here, more than 30% of the total primary energy in the world is consumed in buildings. It is crucial to reduce building energy consumption in order to preserve energy resources and mitigate global climate change. Building performance simulations have been widely used for the estimation and optimization of building performance, providing reference values for the assessment of building energy consumption and the effects of energy-saving technologies. Among the various factors influencing building energy consumption, occupant behavior has drawn increasing attention. Occupant behavior includes occupant presence, movement, and interaction with building energy devices and systems. However, there are gaps in occupantmore » behavior modeling as different energy modelers have employed varied data and tools to simulate occupant behavior, therefore producing different and incomparable results. Aiming to address these gaps, the International Energy Agency (IEA) Energy in Buildings and Community (EBC) Programme Annex 66 has established a scientific methodological framework for occupant behavior research, including data collection, behavior model representation, modeling and evaluation approaches, and the integration of behavior modeling tools with building performance simulation programs. Annex 66 also includes case studies and application guidelines to assist in building design, operation, and policymaking, using interdisciplinary approaches to reduce energy use in buildings and improve occupant comfort and productivity. This paper highlights the key research issues, methods, and outcomes pertaining to Annex 66, and offers perspectives on future research needs to integrate occupant behavior with the building life cycle.« less

IEA EBC Annex 66: Definition and simulation of occupant behavior in buildings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yan, Da; Hong, Tianzhen; Dong, Bing

Here, more than 30% of the total primary energy in the world is consumed in buildings. It is crucial to reduce building energy consumption in order to preserve energy resources and mitigate global climate change. Building performance simulations have been widely used for the estimation and optimization of building performance, providing reference values for the assessment of building energy consumption and the effects of energy-saving technologies. Among the various factors influencing building energy consumption, occupant behavior has drawn increasing attention. Occupant behavior includes occupant presence, movement, and interaction with building energy devices and systems. However, there are gaps in occupantmore » behavior modeling as different energy modelers have employed varied data and tools to simulate occupant behavior, therefore producing different and incomparable results. Aiming to address these gaps, the International Energy Agency (IEA) Energy in Buildings and Community (EBC) Programme Annex 66 has established a scientific methodological framework for occupant behavior research, including data collection, behavior model representation, modeling and evaluation approaches, and the integration of behavior modeling tools with building performance simulation programs. Annex 66 also includes case studies and application guidelines to assist in building design, operation, and policymaking, using interdisciplinary approaches to reduce energy use in buildings and improve occupant comfort and productivity. This paper highlights the key research issues, methods, and outcomes pertaining to Annex 66, and offers perspectives on future research needs to integrate occupant behavior with the building life cycle.« less

Energy consumption during simulated minimal access surgery with and without using an armrest.

PubMed

Jafri, Mansoor; Brown, Stuart; Arnold, Graham; Abboud, Rami; Wang, Weijie

2013-03-01

Minimal access surgery (MAS) can be a lengthy procedure when compared to open surgery and therefore surgeon fatigue becomes an important issue and surgeons may expose themselves to chronic injuries and making errors. There have been few studies on this topic and they have used only questionnaires and electromyography rather than direct measurement of energy expenditure (EE). The aim of this study was to investigate whether the use of an armrest could reduce the EE of surgeons during MAS. Sixteen surgeons performed simulated MAS with and without using an armrest. They were required to perform the time-consuming task of using scissors to cut a rubber glove through its top layer in a triangular fashion with the help of a laparoscopic camera. Energy consumptions were measured using the Oxycon Mobile system during all the procedures. Error rate and duration time for simulated surgery were recorded. After performing the simulated surgery, subjects scored how comfortable they felt using the armrest. It was found that O(2) uptake (VO(2)) was 5 % less when surgeons used the armrest. The error rate when performing the procedure with the armrest was 35 % compared with 42.29 % without the armrest. Additionally, comfort levels with the armrest were higher than without the armrest. 75 % of surgeons indicated a preference for using the armrest during the simulated surgery. The armrest provides support for surgeons and cuts energy consumption during simulated MAS.

Geothermal reservoir simulation

NASA Technical Reports Server (NTRS)

Mercer, J. W., Jr.; Faust, C.; Pinder, G. F.

1974-01-01

The prediction of long-term geothermal reservoir performance and the environmental impact of exploiting this resource are two important problems associated with the utilization of geothermal energy for power production. Our research effort addresses these problems through numerical simulation. Computer codes based on the solution of partial-differential equations using finite-element techniques are being prepared to simulate multiphase energy transport, energy transport in fractured porous reservoirs, well bore phenomena, and subsidence.

New Automotive Air Conditioning System Simulation Tool Developed in MATLAB/Simulink

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiss, T.; Chaney, L.; Meyer, J.

Further improvements in vehicle fuel efficiency require accurate evaluation of the vehicle's transient total power requirement. When operated, the air conditioning (A/C) system is the largest auxiliary load on a vehicle; therefore, accurate evaluation of the load it places on the vehicle's engine and/or energy storage system is especially important. Vehicle simulation software, such as 'Autonomie,' has been used by OEMs to evaluate vehicles' energy performance. A transient A/C simulation tool incorporated into vehicle simulation models would also provide a tool for developing more efficient A/C systems through a thorough consideration of the transient A/C system performance. The dynamic systemmore » simulation software Matlab/Simulink was used to develop new and more efficient vehicle energy system controls. The various modeling methods used for the new simulation tool are described in detail. Comparison with measured data is provided to demonstrate the validity of the model.« less

High Energy Electron and Gamma - Ray Detection with ATIC

NASA Technical Reports Server (NTRS)

Chang, J.; Schmidt, W. K. H.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

The Advanced Thin Ionization Calorimeter (ATIC) balloon borne ionization calorimeter is well suited to record and identify high energy cosmic ray electrons, and at very high energies gamma-ray photons as well. We have simulated the performance of the instrument, and compare the simulations with actual high energy electron exposures at the CERN accelerator. Simulations and measurements do not compare exactly, in detail, but overall the simulations have predicted actual measured behavior quite well. ATIC has had its first 16 day balloon flight at the turn of the year over Antarctica, and first results obtained using the analysis methods derived from simulations and calibrations will be reported.

A parametric study of the thermal performance of green roofs in different climates through energy modeling

NASA Astrophysics Data System (ADS)

Mukherjee, Sananda

In recent years, there has been great interest in the potential of green roofs as an alternative roofing option to reduce the energy consumed by individual buildings as well as mitigate large scale urban environmental problems such as the heat island effect. There is a widespread recognition and a growing literature of measured data that suggest green roofs can reduce building energy consumption. This thesis investigates the potential of green roofs in reducing the building energy loads and focuses on how the different parameters of a green roof assembly affect the thermal performance of a building. A green roof assembly is modeled in Design Builder- a 3D graphical design modeling and energy use simulation program (interface) that uses the EnergyPlus simulation engine, and the simulated data set thus obtained is compared to field experiment data to validate the roof assembly model on the basis of how accurately it simulates the behavior of a green roof. Then the software is used to evaluate the thermal performance of several green roof assemblies under three different climate types, looking at the whole building energy consumption. For the purpose of this parametric simulation study, a prototypical single story small office building is considered and one parameter of the green roof is altered for each simulation run in order to understand its effect on building's energy loads. These parameters include different insulation thicknesses, leaf area indices (LAI) and growing medium or soil depth, each of which are tested under the three different climate types. The energy use intensities (EUIs), the peak and annual heating and cooling loads resulting from the use of these green roof assemblies are compared with each other and to a cool roof base case to determine the energy load reductions, if any. The heat flux through the roof is also evaluated and compared. The simulation results are then organized and finally presented as a decision support tool that would facilitate the adoption and appropriate utilization of green roof technologies and make it possible to account for green roof benefits in energy codes and related energy efficiency standards and rating systems such as LEED.

Minimum MD simulation length required to achieve reliable results in free energy perturbation calculations: case study of relative binding free energies of fructose-1,6-bisphosphatase inhibitors.

PubMed

Rathore, R S; Aparoy, P; Reddanna, P; Kondapi, A K; Reddy, M Rami

2011-07-30

In an attempt to establish the criteria for the length of simulation to achieve the desired convergence of free energy calculations, two studies were carried out on chosen complexes of FBPase-AMP mimics. Calculations were performed for varied length of simulations and for different starting configurations using both conventional- and QM/MM-FEP methods. The results demonstrate that for small perturbations, 1248 ps simulation time could be regarded a reasonable yardstick to achieve convergence of the results. As the simulation time is extended, the errors associated with free energy calculations also gradually tapers off. Moreover, when starting the simulation from different initial configurations of the systems, the results are not changed significantly, when performed for 1248 ps. This study carried on FBPase-AMP mimics corroborates well with our previous successful demonstration of requirement of simulation time for solvation studies, both by conventional and ab initio FEP. The establishment of aforementioned criteria of simulation length serves a useful benchmark in drug design efforts using FEP methodologies, to draw a meaningful and unequivocal conclusion. Copyright © 2011 Wiley Periodicals, Inc.

Validation of Tendril TrueHome Using Software-to-Software Comparison

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maguire, Jeffrey B; Horowitz, Scott G; Moore, Nathan

This study performed comparative evaluation of EnergyPlus version 8.6 and Tendril TrueHome, two physics-based home energy simulation models, to identify differences in energy consumption predictions between the two programs and resolve discrepancies between them. EnergyPlus is considered a benchmark, best-in-class software tool for building energy simulation. This exercise sought to improve both software tools through additional evaluation/scrutiny.

Three dimensional particle-in-cell simulations of electron beams created via reflection of intense laser light from a water target

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ngirmang, Gregory K., E-mail: ngirmang.1@osu.edu; Orban, Chris; Feister, Scott

We present 3D Particle-in-Cell (PIC) modeling of an ultra-intense laser experiment by the Extreme Light group at the Air Force Research Laboratory using the Large Scale Plasma (LSP) PIC code. This is the first time PIC simulations have been performed in 3D for this experiment which involves an ultra-intense, short-pulse (30 fs) laser interacting with a water jet target at normal incidence. The laser-energy-to-ejected-electron-energy conversion efficiency observed in 2D(3v) simulations were comparable to the conversion efficiencies seen in the 3D simulations, but the angular distribution of ejected electrons in the 2D(3v) simulations displayed interesting differences with the 3D simulations' angular distribution;more » the observed differences between the 2D(3v) and 3D simulations were more noticeable for the simulations with higher intensity laser pulses. An analytic plane-wave model is discussed which provides some explanation for the angular distribution and energies of ejected electrons in the 2D(3v) simulations. We also performed a 3D simulation with circularly polarized light and found a significantly higher conversion efficiency and peak electron energy, which is promising for future experiments.« less

Simulation of minimally invasive vascular interventions for training purposes.

PubMed

Alderliesten, Tanja; Konings, Maurits K; Niessen, Wiro J

2004-01-01

To master the skills required to perform minimally invasive vascular interventions, proper training is essential. A computer simulation environment has been developed to provide such training. The simulation is based on an algorithm specifically developed to simulate the motion of a guide wire--the main instrument used during these interventions--in the human vasculature. In this paper, the design and model of the computer simulation environment is described and first results obtained with phantom and patient data are presented. To simulate minimally invasive vascular interventions, a discrete representation of a guide wire is used which allows modeling of guide wires with different physical properties. An algorithm for simulating the propagation of a guide wire within a vascular system, on the basis of the principle of minimization of energy, has been developed. Both longitudinal translation and rotation are incorporated as possibilities for manipulating the guide wire. The simulation is based on quasi-static mechanics. Two types of energy are introduced: internal energy related to the bending of the guide wire, and external energy resulting from the elastic deformation of the vessel wall. A series of experiments were performed on phantom and patient data. Simulation results are qualitatively compared with 3D rotational angiography data. The results indicate plausible behavior of the simulation.

Program optimizations: The interplay between power, performance, and energy

DOE PAGES

Leon, Edgar A.; Karlin, Ian; Grant, Ryan E.; ...

2016-05-16

Practical considerations for future supercomputer designs will impose limits on both instantaneous power consumption and total energy consumption. Working within these constraints while providing the maximum possible performance, application developers will need to optimize their code for speed alongside power and energy concerns. This paper analyzes the effectiveness of several code optimizations including loop fusion, data structure transformations, and global allocations. A per component measurement and analysis of different architectures is performed, enabling the examination of code optimizations on different compute subsystems. Using an explicit hydrodynamics proxy application from the U.S. Department of Energy, LULESH, we show how code optimizationsmore » impact different computational phases of the simulation. This provides insight for simulation developers into the best optimizations to use during particular simulation compute phases when optimizing code for future supercomputing platforms. Here, we examine and contrast both x86 and Blue Gene architectures with respect to these optimizations.« less

Simulation of the thermal performance of a hybrid solar-assisted ground-source heat pump system in a school building

NASA Astrophysics Data System (ADS)

Androulakis, N. D.; Armen, K. G.; Bozis, D. A.; Papakostas, K. T.

2018-04-01

A hybrid solar-assisted ground-source heat pump (SAGSHP) system was designed, in the frame of an energy upgrade study, to serve as a heating system in a school building in Greece. The main scope of this study was to examine techniques to reduce the capacity of the heating equipment and to keep the primary energy consumption low. Simulations of the thermal performance of both the building and of five different heating system configurations were performed by using the TRNSYS software. The results are presented in this work and show that the hybrid SAGSHP system displays the lower primary energy consumption among the systems examined. A conventional ground-source heat pump system has the same primary energy consumption, while the heat pump's capacity is double and the ground heat exchanger 2.5 times longer. This work also highlights the contribution of simulation tools to the design of complex heating systems with renewable energy sources.

Aircraft Rollout Iterative Energy Simulation

NASA Technical Reports Server (NTRS)

Kinoshita, L.

1986-01-01

Aircraft Rollout Iterative Energy Simulation (ARIES) program analyzes aircraft-brake performance during rollout. Simulates threedegree-of-freedom rollout after nose-gear touchdown. Amount of brake energy dissipated during aircraft landing determines life expectancy of brake pads. ARIES incorporates brake pressure, actual flight data, crosswinds, and runway characteristics to calculate following: brake energy during rollout for up to four independent brake systems; time profiles of rollout distance, velocity, deceleration, and lateral runway position; and all aerodynamic moments on aircraft. ARIES written in FORTRAN 77 for batch execution.

Formation of electrostatic structures by wakefield acceleration in ultrarelativistic plasma flows: Electron acceleration to cosmic ray energies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dieckmann, M.E.; Shukla, P.K.; Eliasson, B.

2006-06-15

The ever increasing performance of supercomputers is now enabling kinetic simulations of extreme astrophysical and laser produced plasmas. Three-dimensional particle-in-cell (PIC) simulations of relativistic shocks have revealed highly filamented spatial structures and their ability to accelerate particles to ultrarelativistic speeds. However, these PIC simulations have not yet revealed mechanisms that could produce particles with tera-electron volt energies and beyond. In this work, PIC simulations in one dimension (1D) of the foreshock region of an internal shock in a gamma ray burst are performed to address this issue. The large spatiotemporal range accessible to a 1D simulation enables the self-consistent evolutionmore » of proton phase space structures that can accelerate particles to giga-electron volt energies in the jet frame of reference, and to tens of tera-electron volt in the Earth's frame of reference. One potential source of ultrahigh energy cosmic rays may thus be the thermalization of relativistically moving plasma.« less

Investigation of the performances of PZT vs rare earth (BaLaTiO3) vibration based energy harvester

NASA Astrophysics Data System (ADS)

Pak, Nehemiah; Aris, Hasnizah; Nadia Taib, Bibi

2017-11-01

This study proposes the investigation of two piezoelectric material namely PZT and Lanthanum Doped Barium Titanate (BaLaTiO3) performance as a vibration based energy harvester. The piezoelectric material when applied mechanical stress or strain produces electricity through the piezoelectric effect. The vibration energy would exude mechanical energy and thus apply mechanical force on the energy harvester. The energy harvester would be designed and simulated using the piezoelectric material individually. The studied outputs are divided to frequency response, the load dependence, and the acceleration dependence whereby measurement are observed and taken at maximum power output. The simulation is done using the cantilevers design which employs d31 type of constants. Three different simulations to study the dependence of output power on the resonant frequency response, load and acceleration have found that material that exhibit highest power generation was the BaLaTiO3.

The application of simulation modeling to the cost and performance ranking of solar thermal power plants

NASA Technical Reports Server (NTRS)

Rosenberg, L. S.; Revere, W. R.; Selcuk, M. K.

1981-01-01

A computer simulation code was employed to evaluate several generic types of solar power systems (up to 10 MWe). Details of the simulation methodology, and the solar plant concepts are given along with cost and performance results. The Solar Energy Simulation computer code (SESII) was used, which optimizes the size of the collector field and energy storage subsystem for given engine-generator and energy-transport characteristics. Nine plant types were examined which employed combinations of different technology options, such as: distributed or central receivers with one- or two-axis tracking or no tracking; point- or line-focusing concentrator; central or distributed power conversion; Rankin, Brayton, or Stirling thermodynamic cycles; and thermal or electrical storage. Optimal cost curves were plotted as a function of levelized busbar energy cost and annualized plant capacity. Point-focusing distributed receiver systems were found to be most efficient (17-26 percent).

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 formore » 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.« less

Computer-Aided Engineering Tools | Water Power | NREL

Science.gov Websites

energy converters that will provide a full range of simulation capabilities for single devices and arrays simulation of water power technologies on high-performance computers enables the study of complex systems and experimentation. Such simulation is critical to accelerate progress in energy programs within the U.S. Department

Study of crash energy absorption characteristics of inversion tube on passenger vehicle

NASA Astrophysics Data System (ADS)

Liu, Jiandong; Liu, Tao; Yao, Shengjie; Zhao, Rutao

2017-09-01

This article studied the energy absorption characteristics of the inversion tube and acquired the inversion tube design key dimensions under theoretical conditions by performing formula derivation in the quasi-static and dynamic state based on the working principle of the inversion tube: free inversion. The article further adopted HyperMesh and LS-Dyna to perform simulation and compared the simulation result with the theoretical calculating value for comparison. The design was applied in the full-vehicle model to perform 50km/h front fullwidth crash simulation. The findings showed that the deformation mode of the inversion tube in the full-vehicle crash was consistent with the design mode, and the inversion tube absorbed 33.0% of total energy, thereby conforming to the vehicle safety design requirements.

Ultra Low Energy Binary Decision Diagram Circuits Using Few Electron Transistors

NASA Astrophysics Data System (ADS)

Saripalli, Vinay; Narayanan, Vijay; Datta, Suman

Novel medical applications involving embedded sensors, require ultra low energy dissipation with low-to-moderate performance (10kHz-100MHz) driving the conventional MOSFETs into sub-threshold operation regime. In this paper, we present an alternate ultra-low power computing architecture using Binary Decision Diagram based logic circuits implemented using Single Electron Transistors (SETs) operating in the Coulomb blockade regime with very low supply voltages. We evaluate the energy - performance tradeoff metrics of such BDD circuits using time domain Monte Carlo simulations and compare them with the energy-optimized CMOS logic circuits. Simulation results show that the proposed approach achieves better energy-delay characteristics than CMOS realizations.

Evaluation of solar thermal power plants using economic and performance simulations

NASA Technical Reports Server (NTRS)

El-Gabawali, N.

1980-01-01

An energy cost analysis is presented for central receiver power plants with thermal storage and point focusing power plants with electrical storage. The present approach is based on optimizing the size of the plant to give the minimum energy cost (in mills/kWe hr) of an annual plant energy production. The optimization is done by considering the trade-off between the collector field size and the storage capacity for a given engine size. The energy cost is determined by the plant cost and performance. The performance is estimated by simulating the behavior of the plant under typical weather conditions. Plant capital and operational costs are estimated based on the size and performance of different components. This methodology is translated into computer programs for automatic and consistent evaluation.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rainer, Leo I.; Hoeschele, Marc A.; Apte, Michael G.

This report addresses the results of detailed monitoring completed under Program Element 6 of Lawrence Berkeley National Laboratory's High Performance Commercial Building Systems (HPCBS) PIER program. The purpose of the Energy Simulations and Projected State-Wide Energy Savings project is to develop reasonable energy performance and cost models for high performance relocatable classrooms (RCs) across California climates. A key objective of the energy monitoring was to validate DOE2 simulations for comparison to initial DOE2 performance projections. The validated DOE2 model was then used to develop statewide savings projections by modeling base case and high performance RC operation in the 16 Californiamore » climate zones. The primary objective of this phase of work was to utilize detailed field monitoring data to modify DOE2 inputs and generate performance projections based on a validated simulation model. Additional objectives include the following: (1) Obtain comparative performance data on base case and high performance HVAC systems to determine how they are operated, how they perform, and how the occupants respond to the advanced systems. This was accomplished by installing both HVAC systems side-by-side (i.e., one per module of a standard two module, 24 ft by 40 ft RC) on the study RCs and switching HVAC operating modes on a weekly basis. (2) Develop projected statewide energy and demand impacts based on the validated DOE2 model. (3) Develop cost effectiveness projections for the high performance HVAC system in the 16 California climate zones.« less

Analysis of the impact of simulation model simplifications on the quality of low-energy buildings simulation results

NASA Astrophysics Data System (ADS)

Klimczak, Marcin; Bojarski, Jacek; Ziembicki, Piotr; Kęskiewicz, Piotr

2017-11-01

The requirements concerning energy performance of buildings and their internal installations, particularly HVAC systems, have been growing continuously in Poland and all over the world. The existing, traditional calculation methods following from the static heat exchange model are frequently not sufficient for a reasonable heating design of a building. Both in Poland and elsewhere in the world, methods and software are employed which allow a detailed simulation of the heating and moisture conditions in a building, and also an analysis of the performance of HVAC systems within a building. However, these systems are usually difficult in use and complex. In addition, the development of a simulation model that is sufficiently adequate to the real building requires considerable time involvement of a designer, is time-consuming and laborious. A simplification of the simulation model of a building renders it possible to reduce the costs of computer simulations. The paper analyses in detail the effect of introducing a number of different variants of the simulation model developed in Design Builder on the quality of final results obtained. The objective of this analysis is to find simplifications which allow obtaining simulation results which have an acceptable level of deviations from the detailed model, thus facilitating a quick energy performance analysis of a given building.

HVAC modifications and computerized energy analysis for the Operations Support Building at the Mars Deep Space Station at Goldstone

NASA Technical Reports Server (NTRS)

Halperin, A.; Stelzmuller, P.

1986-01-01

The key heating, ventilation, and air-conditioning (HVAC) modifications implemented at the Mars Deep Space Station's Operation Support Building at Jet Propulsion Laboratories (JPL) in order to reduce energy consumption and decrease operating costs are described. An energy analysis comparison between the computer simulated model for the building and the actual meter data was presented. The measurement performance data showed that the cumulative energy savings was about 21% for the period 1979 to 1981. The deviation from simulated data to measurement performance data was only about 3%.

Relative performance of empirical and physical models in assessing the seasonal and annual glacier surface mass balance of Saint-Sorlin Glacier (French Alps)

NASA Astrophysics Data System (ADS)

Réveillet, Marion; Six, Delphine; Vincent, Christian; Rabatel, Antoine; Dumont, Marie; Lafaysse, Matthieu; Morin, Samuel; Vionnet, Vincent; Litt, Maxime

2018-04-01

This study focuses on simulations of the seasonal and annual surface mass balance (SMB) of Saint-Sorlin Glacier (French Alps) for the period 1996-2015 using the detailed SURFEX/ISBA-Crocus snowpack model. The model is forced by SAFRAN meteorological reanalysis data, adjusted with automatic weather station (AWS) measurements to ensure that simulations of all the energy balance components, in particular turbulent fluxes, are accurately represented with respect to the measured energy balance. Results indicate good model performance for the simulation of summer SMB when using meteorological forcing adjusted with in situ measurements. Model performance however strongly decreases without in situ meteorological measurements. The sensitivity of the model to meteorological forcing indicates a strong sensitivity to wind speed, higher than the sensitivity to ice albedo. Compared to an empirical approach, the model exhibited better performance for simulations of snow and firn melting in the accumulation area and similar performance in the ablation area when forced with meteorological data adjusted with nearby AWS measurements. When such measurements were not available close to the glacier, the empirical model performed better. Our results suggest that simulations of the evolution of future mass balance using an energy balance model require very accurate meteorological data. Given the uncertainties in the temporal evolution of the relevant meteorological variables and glacier surface properties in the future, empirical approaches based on temperature and precipitation could be more appropriate for simulations of glaciers in the future.

DET/MPS - The GSFC Energy Balance Programs

NASA Technical Reports Server (NTRS)

Jagielski, J. M.

1994-01-01

Direct Energy Transfer (DET) and MultiMission Spacecraft Modular Power System (MPS) computer programs perform mathematical modeling and simulation to aid in design and analysis of DET and MPS spacecraft power system performance in order to determine energy balance of subsystem. DET spacecraft power system feeds output of solar photovoltaic array and nickel cadmium batteries directly to spacecraft bus. MPS system, Standard Power Regulator Unit (SPRU) utilized to operate array at array's peak power point. DET and MPS perform minute-by-minute simulation of performance of power system. Results of simulation focus mainly on output of solar array and characteristics of batteries. Both packages limited in terms of orbital mechanics, they have sufficient capability to calculate data on eclipses and performance of arrays for circular or near-circular orbits. DET and MPS written in FORTRAN-77 with some VAX FORTRAN-type extensions. Both available in three versions: GSC-13374, for DEC VAX-series computers running VMS. GSC-13443, for UNIX-based computers. GSC-13444, for Apple Macintosh computers.

Analysis of the economics of photovoltaic-diesel-battery energy systems for remote applications

NASA Technical Reports Server (NTRS)

Brainard, W. A.

1983-01-01

Computer simulations were conducted to analyze the performance and operating cost of a photovoltaic energy source combined with a diesel generator system and battery storage. The simulations were based on the load demand profiles used for the design of an all photovoltaic energy system installed in the remote Papago Indian Village of Schuchuli, Arizona. Twenty year simulations were run using solar insolation data from Phoenix SOLMET tapes. Total energy produced, energy consumed, operation and maintenance costs were calculated. The life cycle and levelized energy costs were determined for a variety of system configurations (i.e., varying amounts of photovoltaic array and battery storage).

Methodology for the preliminary design of high performance schools in hot and humid climates

NASA Astrophysics Data System (ADS)

Im, Piljae

A methodology to develop an easy-to-use toolkit for the preliminary design of high performance schools in hot and humid climates was presented. The toolkit proposed in this research will allow decision makers without simulation knowledge easily to evaluate accurately energy efficient measures for K-5 schools, which would contribute to the accelerated dissemination of energy efficient design. For the development of the toolkit, first, a survey was performed to identify high performance measures available today being implemented in new K-5 school buildings. Then an existing case-study school building in a hot and humid climate was selected and analyzed to understand the energy use pattern in a school building and to be used in developing a calibrated simulation. Based on the information from the previous step, an as-built and calibrated simulation was then developed. To accomplish this, five calibration steps were performed to match the simulation results with the measured energy use. The five steps include: (1) Using an actual 2006 weather file with measured solar radiation, (2) Modifying lighting & equipment schedule using ASHRAE's RP-1093 methods, (3) Using actual equipment performance curves (i.e., scroll chiller), (4) Using the Winkelmann's method for the underground floor heat transfer, and (5) Modifying the HVAC and room setpoint temperature based on the measured field data. Next, the calibrated simulation of the case-study K-5 school was compared to an ASHRAE Standard 90.1-1999 code-compliant school. In the next step, the energy savings potentials from the application of several high performance measures to an equivalent ASHRAE Standard 90.1-1999 code-compliant school. The high performance measures applied included the recommendations from the ASHRAE Advanced Energy Design Guides (AEDG) for K-12 and other high performance measures from the literature review as well as a daylighting strategy and solar PV and thermal systems. The results show that the net energy consumption of the final high performance school with the solar thermal and a solar PV system would be 1,162.1 MMBtu, which corresponds to the 14.9 kBtu/sqft-yr of EUI. The calculated final energy and cost savings over the code compliant school are 68.2% and 69.9%, respectively. As a final step of the research, specifications for a simplified easy-to-use toolkit were then developed, and a prototype screenshot of the toolkit was developed. The toolkit is expected to be used by non-technical decision-maker to select and evaluate high performance measures for a new school building in terms of energy and cost savings in a quick and easy way.

Evaluation of energy savings potential of variable refrigerant flow (VRF) from variable air volume (VAV) in the U.S. climate locations

DOE PAGES

Kim, Dongsu; Cox, Sam J.; Cho, Heejin; ...

2017-05-22

Variable refrigerant flow (VRF) systems are known for their high energy performance and thus can improve energy efficiency both in residential and commercial buildings. The energy savings potential of this system has been demonstrated in several studies by comparing the system performance with conventional HVAC systems such as rooftop variable air volume systems (RTU-VAV) and central chiller and boiler systems. This paper evaluates the performance of VRF and RTU-VAV systems in a simulation environment using widely-accepted whole building energy modeling software, EnergyPlus. A medium office prototype building model, developed by the U.S. Department of Energy (DOE), is used to assessmore » the performance of VRF and RTU-VAV systems. Each system is placed in 16 different locations, representing all U.S. climate zones, to evaluate the performance variations. Both models are compliant with the minimum energy code requirements prescribed in ASHRAE standard 90.1-2010 — energy standard for buildings except low-rise residential buildings. Finally, a comparison study between the simulation results of VRF and RTU-VAV models is made to demonstrate energy savings potential of VRF systems. The simulation results show that the VRF systems would save around 15–42% and 18–33% for HVAC site and source energy uses compared to the RTU-VAV systems. In addition, calculated results for annual HVAC cost savings point out that hot and mild climates show higher percentage cost savings for the VRF systems than cold climates mainly due to the differences in electricity and gas use for heating sources.« less

Evaluation of energy savings potential of variable refrigerant flow (VRF) from variable air volume (VAV) in the U.S. climate locations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Dongsu; Cox, Sam J.; Cho, Heejin

Variable refrigerant flow (VRF) systems are known for their high energy performance and thus can improve energy efficiency both in residential and commercial buildings. The energy savings potential of this system has been demonstrated in several studies by comparing the system performance with conventional HVAC systems such as rooftop variable air volume systems (RTU-VAV) and central chiller and boiler systems. This paper evaluates the performance of VRF and RTU-VAV systems in a simulation environment using widely-accepted whole building energy modeling software, EnergyPlus. A medium office prototype building model, developed by the U.S. Department of Energy (DOE), is used to assessmore » the performance of VRF and RTU-VAV systems. Each system is placed in 16 different locations, representing all U.S. climate zones, to evaluate the performance variations. Both models are compliant with the minimum energy code requirements prescribed in ASHRAE standard 90.1-2010 — energy standard for buildings except low-rise residential buildings. Finally, a comparison study between the simulation results of VRF and RTU-VAV models is made to demonstrate energy savings potential of VRF systems. The simulation results show that the VRF systems would save around 15–42% and 18–33% for HVAC site and source energy uses compared to the RTU-VAV systems. In addition, calculated results for annual HVAC cost savings point out that hot and mild climates show higher percentage cost savings for the VRF systems than cold climates mainly due to the differences in electricity and gas use for heating sources.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horiike, S.; Okazaki, Y.

This paper describes a performance estimation tool developed for modeling and simulation of open distributed energy management systems to support their design. The approach of discrete event simulation with detailed models is considered for efficient performance estimation. The tool includes basic models constituting a platform, e.g., Ethernet, communication protocol, operating system, etc. Application softwares are modeled by specifying CPU time, disk access size, communication data size, etc. Different types of system configurations for various system activities can be easily studied. Simulation examples show how the tool is utilized for the efficient design of open distributed energy management systems.

Scattering effects on the performance of carbon nanotube field effect transistor in a compact model

NASA Astrophysics Data System (ADS)

Hamieh, S. D.; Desgreys, P.; Naviner, J. F.

2010-01-01

Carbon nanotube field-effect transistors (CNTFET) are being extensively studied as possible successors to CMOS. Device simulators have been developed to estimate their performance in sub-10-nm and device structures have been fabricated. In this work, a new compact model of single-walled semiconducting CNTFET is proposed implementing the calculation of energy conduction sub-band minima and the treatment of scattering effects through energy shift in CNTFET. The developed model has been used to simulate I-V characteristics using VHDL-AMS simulator.

Performance evaluation of radiant cooling system application on a university building in Indonesia

NASA Astrophysics Data System (ADS)

Satrio, Pujo; Sholahudin, S.; Nasruddin

2017-03-01

The paper describes a study developed to estimate the energy savings potential of a radiant cooling system installed in an institutional building in Indonesia. The simulations were carried out using IESVE to evaluate thermal performance and energy consumption The building model was calibrated using the measured data for the installed radiant system. Then this calibrated model was used to simulate the energy consumption and temperature distribution to determine the proportional energy savings and occupant comfort under different systems. The result was radiant cooling which integrated with a Dedicated Outside Air System (DOAS) could make 41,84% energy savings compared to the installed cooling system. The Computational Fluid Dynamics (CFD) simulation showed that a radiant system integrated with DOAS provides superior human comfort than a radiant system integrated with Variable Air Volume (VAV). Percentage People Dissatisfied was kept below 10% using the proposed system.

Theoretical modeling, simulation and experimental study of hybrid piezoelectric and electromagnetic energy harvester

NASA Astrophysics Data System (ADS)

Li, Ping; Gao, Shiqiao; Cong, Binglong

2018-03-01

In this paper, performances of vibration energy harvester combined piezoelectric (PE) and electromagnetic (EM) mechanism are studied by theoretical analysis, simulation and experimental test. For the designed harvester, electromechanical coupling modeling is established, and expressions of vibration response, output voltage, current and power are derived. Then, performances of the harvester are simulated and tested; moreover, the power charging rechargeable battery is realized through designed energy storage circuit. By the results, it's found that compared with piezoelectric-only and electromagnetic-only energy harvester, the hybrid energy harvester can enhance the output power and harvesting efficiency; furthermore, at the harmonic excitation, output power of harvester linearly increases with acceleration amplitude increasing; while it enhances with acceleration spectral density increasing at the random excitation. In addition, the bigger coupling strength, the bigger output power is, and there is the optimal load resistance to make the harvester output the maximal power.

Simulation of energy- efficient building prototype using different insulating materials

NASA Astrophysics Data System (ADS)

Ouhaibi, Salma; Belouaggadia, Naoual; Lbibb, Rachid; Ezzine, Mohammed

2018-05-01

The objective of this work is to analyze the energetic efficiency of an individual building including an area of 130 m2 multi-zone, located in the region of FEZ which is characterized by a very hot and dry climate in summer and a quite cold one in winter, by incorporating insulating materials. This study was performed using TRNSYS V16 simulation software during a typical year of the FEZ region. Our simulation consists in developing a comparative study of two types of polystyrene and silica-aerogel insulation materials, in order to determine the best thermal performance. The results show that the thermal insulation of the building envelope is among the most effective solutions that give a significant reduction in energy requirements. Similarly, the use of silica-aerogels gives a good thermal performance, and therefore a good energy gain.

A framework for quantifying the impact of occupant behavior on energy savings of energy conservation measures

DOE PAGES

Sun, Kaiyu; Hong, Tianzhen

2017-04-27

To improve energy efficiency—during new buildings design or during a building retrofit—evaluating the energy savings potential of energy conservation measures (ECMs) is a critical task. In building retrofits, occupant behavior significantly impacts building energy use and is a leading factor in uncertainty when determining the effectiveness of retrofit ECMs. Current simulation-based assessment methods simplify the representation of occupant behavior by using a standard or representative set of static and homogeneous assumptions ignoring the dynamics, stochastics, and diversity of occupant's energy-related behavior in buildings. The simplification contributes to significant gaps between the simulated and measured actual energy performance of buildings. Thismore » paper presents a framework for quantifying the impact of occupant behaviors on ECM energy savings using building performance simulation. During the first step of the study, three occupant behavior styles (austerity, normal, and wasteful) were defined to represent different levels of energy consciousness of occupants regarding their interactions with building energy systems (HVAC, windows, lights and plug-in equipment). Next, a simulation workflow was introduced to determine a range of the ECM energy savings. Then, guidance was provided to interpret the range of ECM savings to support ECM decision making. Finally, a pilot study was performed in a real building to demonstrate the application of the framework. Simulation results show that the impact of occupant behaviors on ECM savings vary with the type of ECM. Occupant behavior minimally affects energy savings for ECMs that are technology-driven (the relative savings differ by less than 2%) and have little interaction with the occupants; for ECMs with strong occupant interaction, such as the use of zonal control variable refrigerant flow system and natural ventilation, energy savings are significantly affected by occupant behavior (the relative savings differ by up to 20%). Finally, the study framework provides a novel, holistic approach to assessing the uncertainty of ECM energy savings related to occupant behavior, enabling stakeholders to understand and assess the risk of adopting energy efficiency technologies for new and existing buildings.« less

A framework for quantifying the impact of occupant behavior on energy savings of energy conservation measures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Kaiyu; Hong, Tianzhen

To improve energy efficiency—during new buildings design or during a building retrofit—evaluating the energy savings potential of energy conservation measures (ECMs) is a critical task. In building retrofits, occupant behavior significantly impacts building energy use and is a leading factor in uncertainty when determining the effectiveness of retrofit ECMs. Current simulation-based assessment methods simplify the representation of occupant behavior by using a standard or representative set of static and homogeneous assumptions ignoring the dynamics, stochastics, and diversity of occupant's energy-related behavior in buildings. The simplification contributes to significant gaps between the simulated and measured actual energy performance of buildings. Thismore » paper presents a framework for quantifying the impact of occupant behaviors on ECM energy savings using building performance simulation. During the first step of the study, three occupant behavior styles (austerity, normal, and wasteful) were defined to represent different levels of energy consciousness of occupants regarding their interactions with building energy systems (HVAC, windows, lights and plug-in equipment). Next, a simulation workflow was introduced to determine a range of the ECM energy savings. Then, guidance was provided to interpret the range of ECM savings to support ECM decision making. Finally, a pilot study was performed in a real building to demonstrate the application of the framework. Simulation results show that the impact of occupant behaviors on ECM savings vary with the type of ECM. Occupant behavior minimally affects energy savings for ECMs that are technology-driven (the relative savings differ by less than 2%) and have little interaction with the occupants; for ECMs with strong occupant interaction, such as the use of zonal control variable refrigerant flow system and natural ventilation, energy savings are significantly affected by occupant behavior (the relative savings differ by up to 20%). Finally, the study framework provides a novel, holistic approach to assessing the uncertainty of ECM energy savings related to occupant behavior, enabling stakeholders to understand and assess the risk of adopting energy efficiency technologies for new and existing buildings.« less

Campus Energy Model for Control and Performance Validation

DOE Office of Scientific and Technical Information (OSTI.GOV)

2014-09-19

The core of the modeling platform is an extensible block library for the MATLAB/Simulink software suite. The platform enables true co-simulation (interaction at each simulation time step) with NREL's state-of-the-art modeling tools and other energy modeling software.

Modeling and Simulation of HVAC Faulty Operations and Performance Degradation due to Maintenance Issues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Liping; Hong, Tianzhen

Almost half of the total energy used in the U.S. buildings is consumed by heating, ventilation and air conditionings (HVAC) according to EIA statistics. Among various driving factors to energy performance of building, operations and maintenance play a significant role. Many researches have been done to look at design efficiencies and operational controls for improving energy performance of buildings, but very few study the impacts of HVAC systems maintenance. Different practices of HVAC system maintenance can result in substantial differences in building energy use. If a piece of HVAC equipment is not well maintained, its performance will degrade. If sensorsmore » used for control purpose are not calibrated, not only building energy usage could be dramatically increased, but also mechanical systems may not be able to satisfy indoor thermal comfort. Properly maintained HVAC systems can operate efficiently, improve occupant comfort, and prolong equipment service life. In the paper, maintenance practices for HVAC systems are presented based on literature reviews and discussions with HVAC engineers, building operators, facility managers, and commissioning agents. We categorize the maintenance practices into three levels depending on the maintenance effort and coverage: 1) proactive, performance-monitored maintenance; 2) preventive, scheduled maintenance; and 3) reactive, unplanned or no maintenance. A sampled list of maintenance issues, including cooling tower fouling, boiler/chiller fouling, refrigerant over or under charge, temperature sensor offset, outdoor air damper leakage, outdoor air screen blockage, outdoor air damper stuck at fully open position, and dirty filters are investigated in this study using field survey data and detailed simulation models. The energy impacts of both individual maintenance issue and combined scenarios for an office building with central VAV systems and central plant were evaluated by EnergyPlus simulations using three approaches: 1) direct modeling with EnergyPlus, 2) using the energy management system feature of EnergyPlus, and 3) modifying EnergyPlus source code. The results demonstrated the importance of maintenance for HVAC systems on energy performance of buildings. The research is intended to provide a guideline to help practitioners and building operators to gain the knowledge of maintaining HVAC systems in efficient operations, and prioritize HVAC maintenance work plan. The paper also discusses challenges of modeling building maintenance issues using energy simulation programs.« less

ATES/heat pump simulations performed with ATESSS code

NASA Astrophysics Data System (ADS)

Vail, L. W.

1989-01-01

Modifications to the Aquifer Thermal Energy Storage System Simulator (ATESSS) allow simulation of aquifer thermal energy storage (ATES)/heat pump systems. The heat pump algorithm requires a coefficient of performance (COP) relationship of the form: COP = COP sub base + alpha (T sub ref minus T sub base). Initial applications of the modified ATES code to synthetic building load data for two sizes of buildings in two U.S. cities showed insignificant performance advantage of a series ATES heat pump system over a conventional groundwater heat pump system. The addition of algorithms for a cooling tower and solar array improved performance slightly. Small values of alpha in the COP relationship are the principal reason for the limited improvement in system performance. Future studies at Pacific Northwest Laboratory (PNL) are planned to investigate methods to increase system performance using alternative system configurations and operations scenarios.

Performance of Geant4 in simulating semiconductor particle detector response in the energy range below 1 MeV

NASA Astrophysics Data System (ADS)

Soti, G.; Wauters, F.; Breitenfeldt, M.; Finlay, P.; Kraev, I. S.; Knecht, A.; Porobić, T.; Zákoucký, D.; Severijns, N.

2013-11-01

Geant4 simulations play a crucial role in the analysis and interpretation of experiments providing low energy precision tests of the Standard Model. This paper focuses on the accuracy of the description of the electron processes in the energy range between 100 and 1000 keV. The effect of the different simulation parameters and multiple scattering models on the backscattering coefficients is investigated. Simulations of the response of HPGe and passivated implanted planar Si detectors to β particles are compared to experimental results. An overall good agreement is found between Geant4 simulations and experimental data.

A framework for quantifying the impact of occupant behavior on energy savings of energy conservation measures

DOE PAGES

Sun, K; Hong, T

2017-07-01

© 2017 Elsevier B.V. To improve energy efficiency—during new buildings design or during a building retrofit—evaluating the energy savings potential of energy conservation measures (ECMs) is a critical task. In building retrofits, occupant behavior significantly impacts building energy use and is a leading factor in uncertainty when determining the effectiveness of retrofit ECMs. Current simulation-based assessment methods simplify the representation of occupant behavior by using a standard or representative set of static and homogeneous assumptions ignoring the dynamics, stochastics, and diversity of occupant's energy-related behavior in buildings. The simplification contributes to significant gaps between the simulated and measured actual energymore » performance of buildings. This study presents a framework for quantifying the impact of occupant behaviors on ECM energy savings using building performance simulation. During the first step of the study, three occupant behavior styles (austerity, normal, and wasteful) were defined to represent different levels of energy consciousness of occupants regarding their interactions with building energy systems (HVAC, windows, lights and plug-in equipment). Next, a simulation workflow was introduced to determine a range of the ECM energy savings. Then, guidance was provided to interpret the range of ECM savings to support ECM decision making. Finally, a pilot study was performed in a real building to demonstrate the application of the framework. Simulation results show that the impact of occupant behaviors on ECM savings vary with the type of ECM. Occupant behavior minimally affects energy savings for ECMs that are technology-driven (the relative savings differ by less than 2%) and have little interaction with the occupants; for ECMs with strong occupant interaction, such as the use of zonal control variable refrigerant flow system and natural ventilation, energy savings are significantly affected by occupant behavior (the relative savings differ by up to 20%). The study framework provides a novel, holistic approach to assessing the uncertainty of ECM energy savings related to occupant behavior, enabling stakeholders to understand and assess the risk of adopting energy efficiency technologies for new and existing buildings.« less

Energy-efficient container handling using hybrid model predictive control

NASA Astrophysics Data System (ADS)

Xin, Jianbin; Negenborn, Rudy R.; Lodewijks, Gabriel

2015-11-01

The performance of container terminals needs to be improved to adapt the growth of containers while maintaining sustainability. This paper provides a methodology for determining the trajectory of three key interacting machines for carrying out the so-called bay handling task, involving transporting containers between a vessel and the stacking area in an automated container terminal. The behaviours of the interacting machines are modelled as a collection of interconnected hybrid systems. Hybrid model predictive control (MPC) is proposed to achieve optimal performance, balancing the handling capacity and energy consumption. The underlying control problem is hereby formulated as a mixed-integer linear programming problem. Simulation studies illustrate that a higher penalty on energy consumption indeed leads to improved sustainability using less energy. Moreover, simulations illustrate how the proposed energy-efficient hybrid MPC controller performs under different types of uncertainties.

Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions.

PubMed

Vosmeer, C Ruben; Kooi, Derk P; Capoferri, Luigi; Terpstra, Margreet M; Vermeulen, Nico P E; Geerke, Daan P

2016-01-01

Recently an iterative method was proposed to enhance the accuracy and efficiency of ligand-protein binding affinity prediction through linear interaction energy (LIE) theory. For ligand binding to flexible Cytochrome P450s (CYPs), this method was shown to decrease the root-mean-square error and standard deviation of error prediction by combining interaction energies of simulations starting from different conformations. Thereby, different parts of protein-ligand conformational space are sampled in parallel simulations. The iterative LIE framework relies on the assumption that separate simulations explore different local parts of phase space, and do not show transitions to other parts of configurational space that are already covered in parallel simulations. In this work, a method is proposed to (automatically) detect such transitions during the simulations that are performed to construct LIE models and to predict binding affinities. Using noise-canceling techniques and splines to fit time series of the raw data for the interaction energies, transitions during simulation between different parts of phase space are identified. Boolean selection criteria are then applied to determine which parts of the interaction energy trajectories are to be used as input for the LIE calculations. Here we show that this filtering approach benefits the predictive quality of our previous CYP 2D6-aryloxypropanolamine LIE model. In addition, an analysis is performed of the gain in computational efficiency that can be obtained from monitoring simulations using the proposed filtering method and by prematurely terminating simulations accordingly.

Parallel Decomposition of the Fictitious Lagrangian Algorithm and its Accuracy for Molecular Dynamics Simulations of Semiconductors.

NASA Astrophysics Data System (ADS)

Yeh, Mei-Ling

We have performed a parallel decomposition of the fictitious Lagrangian method for molecular dynamics with tight-binding total energy expression into the hypercube computer. This is the first time in literature that the dynamical simulation of semiconducting systems containing more than 512 silicon atoms has become possible with the electrons treated as quantum particles. With the utilization of the Intel Paragon system, our timing analysis predicts that our code is expected to perform realistic simulations on very large systems consisting of thousands of atoms with time requirements of the order of tens of hours. Timing results and performance analysis of our parallel code are presented in terms of calculation time, communication time, and setup time. The accuracy of the fictitious Lagrangian method in molecular dynamics simulation is also investigated, especially the energy conservation of the total energy of ions. We find that the accuracy of the fictitious Lagrangian scheme in small silicon cluster and very large silicon system simulations is good for as long as the simulations proceed, even though we quench the electronic coordinates to the Born-Oppenheimer surface only in the beginning of the run. The kinetic energy of electrons does not increase as time goes on, and the energy conservation of the ionic subsystem remains very good. This means that, as far as the ionic subsystem is concerned, the electrons are on the average in the true quantum ground states. We also tie up some odds and ends regarding a few remaining questions about the fictitious Lagrangian method, such as the difference between the results obtained from the Gram-Schmidt and SHAKE method of orthonormalization, and differences between simulations where the electrons are quenched to the Born -Oppenheimer surface only once compared with periodic quenching.

Efficient generation of low-energy folded states of a model protein

NASA Astrophysics Data System (ADS)

Gordon, Heather L.; Kwan, Wai Kei; Gong, Chunhang; Larrass, Stefan; Rothstein, Stuart M.

2003-01-01

A number of short simulated annealing runs are performed on a highly-frustrated 46-"residue" off-lattice model protein. We perform, in an iterative fashion, a principal component analysis of the 946 nonbonded interbead distances, followed by two varieties of cluster analyses: hierarchical and k-means clustering. We identify several distinct sets of conformations with reasonably consistent cluster membership. Nonbonded distance constraints are derived for each cluster and are employed within a distance geometry approach to generate many new conformations, previously unidentified by the simulated annealing experiments. Subsequent analyses suggest that these new conformations are members of the parent clusters from which they were generated. Furthermore, several novel, previously unobserved structures with low energy were uncovered, augmenting the ensemble of simulated annealing results, and providing a complete distribution of low-energy states. The computational cost of this approach to generating low-energy conformations is small when compared to the expense of further Monte Carlo simulated annealing runs.

A Python tool to set up relative free energy calculations in GROMACS

PubMed Central

Klimovich, Pavel V.; Mobley, David L.

2015-01-01

Free energy calculations based on molecular dynamics (MD) simulations have seen a tremendous growth in the last decade. However, it is still difficult and tedious to set them up in an automated manner, as the majority of the present-day MD simulation packages lack that functionality. Relative free energy calculations are a particular challenge for several reasons, including the problem of finding a common substructure and mapping the transformation to be applied. Here we present a tool, alchemical-setup.py, that automatically generates all the input files needed to perform relative solvation and binding free energy calculations with the MD package GROMACS. When combined with Lead Optimization Mapper [14], recently developed in our group, alchemical-setup.py allows fully automated setup of relative free energy calculations in GROMACS. Taking a graph of the planned calculations and a mapping, both computed by LOMAP, our tool generates the topology and coordinate files needed to perform relative free energy calculations for a given set of molecules, and provides a set of simulation input parameters. The tool was validated by performing relative hydration free energy calculations for a handful of molecules from the SAMPL4 challenge [16]. Good agreement with previously published results and the straightforward way in which free energy calculations can be conducted make alchemical-setup.py a promising tool for automated setup of relative solvation and binding free energy calculations. PMID:26487189

A digital computer simulation and study of a direct-energy-transfer power-conditioning system

NASA Technical Reports Server (NTRS)

Burns, W. W., III; Owen, H. A., Jr.; Wilson, T. G.; Rodriguez, G. E.; Paulkovich, J.

1974-01-01

A digital computer simulation technique, which can be used to study such composite power-conditioning systems, was applied to a spacecraft direct-energy-transfer power-processing system. The results obtained duplicate actual system performance with considerable accuracy. The validity of the approach and its usefulness in studying various aspects of system performance such as steady-state characteristics and transient responses to severely varying operating conditions are demonstrated experimentally.

Interaction and Impact Studies for Distributed Energy Resource, Transactive Energy, and Electric Grid, using High Performance Computing ?based Modeling and Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kelley, B. M.

The electric utility industry is undergoing significant transformations in its operation model, including a greater emphasis on automation, monitoring technologies, and distributed energy resource management systems (DERMS). With these changes and new technologies, while driving greater efficiencies and reliability, these new models may introduce new vectors of cyber attack. The appropriate cybersecurity controls to address and mitigate these newly introduced attack vectors and potential vulnerabilities are still widely unknown and performance of the control is difficult to vet. This proposal argues that modeling and simulation (M&S) is a necessary tool to address and better understand these problems introduced by emergingmore » technologies for the grid. M&S will provide electric utilities a platform to model its transmission and distribution systems and run various simulations against the model to better understand the operational impact and performance of cybersecurity controls.« less

A clustering approach for the analysis of solar energy yields: A case study for concentrating solar thermal power plants

NASA Astrophysics Data System (ADS)

Peruchena, Carlos M. Fernández; García-Barberena, Javier; Guisado, María Vicenta; Gastón, Martín

2016-05-01

The design of Concentrating Solar Thermal Power (CSTP) systems requires a detailed knowledge of the dynamic behavior of the meteorology at the site of interest. Meteorological series are often condensed into one representative year with the aim of data volume reduction and speeding-up of energy system simulations, defined as Typical Meteorological Year (TMY). This approach seems to be appropriate for rather detailed simulations of a specific plant; however, in previous stages of the design of a power plant, especially during the optimization of the large number of plant parameters before a final design is reached, a huge number of simulations are needed. Even with today's technology, the computational effort to simulate solar energy system performance with one year of data at high frequency (as 1-min) may become colossal if a multivariable optimization has to be performed. This work presents a simple and efficient methodology for selecting number of individual days able to represent the electrical production of the plant throughout the complete year. To achieve this objective, a new procedure for determining a reduced set of typical weather data in order to evaluate the long-term performance of a solar energy system is proposed. The proposed methodology is based on cluster analysis and permits to drastically reduce computational effort related to the calculation of a CSTP plant energy yield by simulating a reduced number of days from a high frequency TMY.

Transmission of ˜ 10 keV electron beams through thin ceramic foils: Measurements and Monte Carlo simulations of electron energy distribution functions

NASA Astrophysics Data System (ADS)

Morozov, A.; Heindl, T.; Skrobol, C.; Wieser, J.; Krücken, R.; Ulrich, A.

2008-07-01

Electron beams with particle energy of ~10 keV were sent through 300 nm thick ceramic (Si3N4 + SiO2) foils and the resulting electron energy distribution functions were recorded using a retarding grid technique. The results are compared with Monte Carlo simulations performed with two publicly available packages, Geant4 and Casino v2.42. It is demonstrated that Geant4, unlike Casino, provides electron energy distribution functions very similar to the experimental distributions. Both simulation packages provide a quite precise average energy of transmitted electrons: we demonstrate that the maximum uncertainty of the calculated values of the average energy is 6% for Geant4 and 8% for Casino, taking into account all systematic uncertainties and the discrepancies in the experimental and simulated data.

Computational Analysis on Performance of Thermal Energy Storage (TES) Diffuser

NASA Astrophysics Data System (ADS)

Adib, M. A. H. M.; Adnan, F.; Ismail, A. R.; Kardigama, K.; Salaam, H. A.; Ahmad, Z.; Johari, N. H.; Anuar, Z.; Azmi, N. S. N.

2012-09-01

Application of thermal energy storage (TES) system reduces cost and energy consumption. The performance of the overall operation is affected by diffuser design. In this study, computational analysis is used to determine the thermocline thickness. Three dimensional simulations with different tank height-to-diameter ratio (HD), diffuser opening and the effect of difference number of diffuser holes are investigated. Medium HD tanks simulations with double ring octagonal diffuser show good thermocline behavior and clear distinction between warm and cold water. The result show, the best performance of thermocline thickness during 50% time charging occur in medium tank with height-to-diameter ratio of 4.0 and double ring octagonal diffuser with 48 holes (9mm opening ~ 60%) acceptable compared to diffuser with 6mm ~ 40% and 12mm ~ 80% opening. The conclusion is computational analysis method are very useful in the study on performance of thermal energy storage (TES).

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.

Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length.

PubMed

Reddy, M Rami; Erion, Mark D

2009-12-01

Molecular dynamics (MD) simulations in conjunction with thermodynamic perturbation approach was used to calculate relative solvation free energies of five pairs of small molecules, namely; (1) methanol to ethane, (2) acetone to acetamide, (3) phenol to benzene, (4) 1,1,1 trichloroethane to ethane, and (5) phenylalanine to isoleucine. Two studies were performed to evaluate the dependence of the convergence of these calculations on MD simulation length and starting configuration. In the first study, each transformation started from the same well-equilibrated configuration and the simulation length was varied from 230 to 2,540 ps. The results indicated that for transformations involving small structural changes, a simulation length of 860 ps is sufficient to obtain satisfactory convergence. In contrast, transformations involving relatively large structural changes, such as phenylalanine to isoleucine, require a significantly longer simulation length (>2,540 ps) to obtain satisfactory convergence. In the second study, the transformation was completed starting from three different configurations and using in each case 860 ps of MD simulation. The results from this study suggest that performing one long simulation may be better than averaging results from three different simulations using a shorter simulation length and three different starting configurations.

Absolute binding free energy calculations of CBClip host–guest systems in the SAMPL5 blind challenge

PubMed Central

Tofoleanu, Florentina; Pickard, Frank C.; König, Gerhard; Huang, Jing; Damjanović, Ana; Baek, Minkyung; Seok, Chaok; Brooks, Bernard R.

2016-01-01

Herein, we report the absolute binding free energy calculations of CBClip complexes in the SAMPL5 blind challenge. Initial conformations of CBClip complexes were obtained using docking and molecular dynamics simulations. Free energy calculations were performed using thermodynamic integration (TI) with soft-core potentials and Bennett’s acceptance ratio (BAR) method based on a serial insertion scheme. We compared the results obtained with TI simulations with soft-core potentials and Hamiltonian replica exchange simulations with the serial insertion method combined with the BAR method. The results show that the difference between the two methods can be mainly attributed to the van der Waals free energies, suggesting that either the simulations used for TI or the simulations used for BAR, or both are not fully converged and the two sets of simulations may have sampled difference phase space regions. The penalty scores of force field parameters of the 10 guest molecules provided by CHARMM Generalized Force Field can be an indicator of the accuracy of binding free energy calculations. Among our submissions, the combination of docking and TI performed best, which yielded the root mean square deviation of 2.94 kcal/mol and an average unsigned error of 3.41 kcal/mol for the ten guest molecules. These values were best overall among all participants. However, our submissions had little correlation with experiments. PMID:27677749

Effect of mosaic representation of vegetation in land surface schemes on simulated energy and carbon balances

NASA Astrophysics Data System (ADS)

Li, R.; Arora, V. K.

2012-01-01

Energy and carbon balance implications of representing vegetation using a composite or mosaic approach in a land surface scheme are investigated. In the composite approach the attributes of different plant functional types (PFTs) present in a grid cell are aggregated in some fashion for energy and water balance calculations. The resulting physical environmental conditions (including net radiation, soil moisture and soil temperature) are common to all PFTs and affect their ecosystem processes. In the mosaic approach energy and water balance calculations are performed separately for each PFT tile using its own vegetation attributes, so each PFT "sees" different physical environmental conditions and its carbon balance evolves somewhat differently from that in the composite approach. Simulations are performed at selected boreal, temperate and tropical locations to illustrate the differences caused by using the composite versus mosaic approaches of representing vegetation. These idealized simulations use 50% fractional coverage for each of the two dominant PFTs in a grid cell. Differences in simulated grid averaged primary energy fluxes at selected sites are generally less than 5% between the two approaches. Simulated grid-averaged carbon fluxes and pool sizes at these sites can, however, differ by as much as 46%. Simulation results suggest that differences in carbon balance between the two approaches arise primarily through differences in net radiation which directly affects net primary productivity, and thus leaf area index and vegetation biomass.

KINETIC ENERGY FROM SUPERNOVA FEEDBACK IN HIGH-RESOLUTION GALAXY SIMULATIONS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simpson, Christine M.; Bryan, Greg L.; Ostriker, Jeremiah P.

We describe a new method for adding a prescribed amount of kinetic energy to simulated gas modeled on a cartesian grid by directly altering grid cells’ mass and velocity in a distributed fashion. The method is explored in the context of supernova (SN) feedback in high-resolution (∼10 pc) hydrodynamic simulations of galaxy formation. Resolution dependence is a primary consideration in our application of the method, and simulations of isolated explosions (performed at different resolutions) motivate a resolution-dependent scaling for the injected fraction of kinetic energy that we apply in cosmological simulations of a 10{sup 9} M{sub ⊙} dwarf halo. Wemore » find that in high-density media (≳50 cm{sup −3}) with coarse resolution (≳4 pc per cell), results are sensitive to the initial kinetic energy fraction due to early and rapid cooling. In our galaxy simulations, the deposition of small amounts of SN energy in kinetic form (as little as 1%) has a dramatic impact on the evolution of the system, resulting in an order-of-magnitude suppression of stellar mass. The overall behavior of the galaxy in the two highest resolution simulations we perform appears to converge. We discuss the resulting distribution of stellar metallicities, an observable sensitive to galactic wind properties, and find that while the new method demonstrates increased agreement with observed systems, significant discrepancies remain, likely due to simplistic assumptions that neglect contributions from SNe Ia and stellar winds.« less

Multidimensional generalized-ensemble algorithms for complex systems.

PubMed

Mitsutake, Ayori; Okamoto, Yuko

2009-06-07

We give general formulations of the multidimensional multicanonical algorithm, simulated tempering, and replica-exchange method. We generalize the original potential energy function E(0) by adding any physical quantity V of interest as a new energy term. These multidimensional generalized-ensemble algorithms then perform a random walk not only in E(0) space but also in V space. Among the three algorithms, the replica-exchange method is the easiest to perform because the weight factor is just a product of regular Boltzmann-like factors, while the weight factors for the multicanonical algorithm and simulated tempering are not a priori known. We give a simple procedure for obtaining the weight factors for these two latter algorithms, which uses a short replica-exchange simulation and the multiple-histogram reweighting techniques. As an example of applications of these algorithms, we have performed a two-dimensional replica-exchange simulation and a two-dimensional simulated-tempering simulation using an alpha-helical peptide system. From these simulations, we study the helix-coil transitions of the peptide in gas phase and in aqueous solution.

Chapter 15: Commercial New Construction Evaluation Protocol. The Uniform Methods Project: Methods for Determining Energy Efficiency Savings for Specific Measures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurnik, Charles W.; Keates, Steven

This protocol is intended to describe the recommended method when evaluating the whole-building performance of new construction projects in the commercial sector. The protocol focuses on energy conservation measures (ECMs) or packages of measures where evaluators can analyze impacts using building simulation. These ECMs typically require the use of calibrated building simulations under Option D of the International Performance Measurement and Verification Protocol (IPMVP).

Evaluating average and atypical response in radiation effects simulations

NASA Astrophysics Data System (ADS)

Weller, R. A.; Sternberg, A. L.; Massengill, L. W.; Schrimpf, R. D.; Fleetwood, D. M.

2003-12-01

We examine the limits of performing single-event simulations using pre-averaged radiation events. Geant4 simulations show the necessity, for future devices, to supplement current methods with ensemble averaging of device-level responses to physically realistic radiation events. Initial Monte Carlo simulations have generated a significant number of extremal events in local energy deposition. These simulations strongly suggest that proton strikes of sufficient energy, even those that initiate purely electronic interactions, can initiate device response capable in principle of producing single event upset or microdose damage in highly scaled devices.

Energy performance evaluation of AAC

NASA Astrophysics Data System (ADS)

Aybek, Hulya

The U.S. building industry constitutes the largest consumer of energy (i.e., electricity, natural gas, petroleum) in the world. The building sector uses almost 41 percent of the primary energy and approximately 72 percent of the available electricity in the United States. As global energy-generating resources are being depleted at exponential rates, the amount of energy consumed and wasted cannot be ignored. Professionals concerned about the environment have placed a high priority on finding solutions that reduce energy consumption while maintaining occupant comfort. Sustainable design and the judicious combination of building materials comprise one solution to this problem. A future including sustainable energy may result from using energy simulation software to accurately estimate energy consumption and from applying building materials that achieve the potential results derived through simulation analysis. Energy-modeling tools assist professionals with making informed decisions about energy performance during the early planning phases of a design project, such as determining the most advantageous combination of building materials, choosing mechanical systems, and determining building orientation on the site. By implementing energy simulation software to estimate the effect of these factors on the energy consumption of a building, designers can make adjustments to their designs during the design phase when the effect on cost is minimal. The primary objective of this research consisted of identifying a method with which to properly select energy-efficient building materials and involved evaluating the potential of these materials to earn LEED credits when properly applied to a structure. In addition, this objective included establishing a framework that provides suggestions for improvements to currently available simulation software that enhance the viability of the estimates concerning energy efficiency and the achievements of LEED credits. The primary objective was accomplished by using conducting several simulation models to determine the relative energy efficiency of wood-framed, metal-framed, and Aerated Autoclaved Concrete (AAC) wall structures for both commercial and residential buildings.

CFD simulations of power coefficients for an innovative Darrieus style vertical axis wind turbine with auxiliary straight blades

NASA Astrophysics Data System (ADS)

Arpino, F.; Cortellessa, G.; Dell'Isola, M.; Scungio, M.; Focanti, V.; Profili, M.; Rotondi, M.

2017-11-01

The increasing price of fossil derivatives, global warming and energy market instabilities, have led to an increasing interest in renewable energy sources such as wind energy. Amongst the different typologies of wind generators, small scale Vertical Axis Wind Turbines (VAWT) present the greatest potential for off grid power generation at low wind speeds. In the present work, Computational Fluid Dynamic (CFD) simulations were performed in order to investigate the performance of an innovative configuration of straight-blades Darrieus-style vertical axis micro wind turbine, specifically developed for small scale energy conversion at low wind speeds. The micro turbine under investigation is composed of three pairs of airfoils, consisting of a main and auxiliary blades with different chord lengths. The simulations were made using the open source finite volume based CFD toolbox OpenFOAM, considering different turbulence models and adopting a moving mesh approach for the turbine rotor. The simulated data were reported in terms of dimensionless power coefficients for dynamic performance analysis. The results from the simulations were compared to the data obtained from experiments on a scaled model of the same VAWT configuration, conducted in a closed circuit open chamber wind tunnel facility available at the Laboratory of Industrial Measurements (LaMI) of the University of Cassino and Lazio Meridionale (UNICLAM). From the proposed analysis, it was observed that the most suitable model for the simulation of the performances of the micro turbine under investigation is the one-equation Spalart-Allmaras, even if under the conditions analysed in the present work and for TSR values higher than 1.1, some discrepancies between numerical and experimental data can be observed.

Free Energy and Heat Capacity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kurata, Masaki; Devanathan, Ramaswami

2015-10-13

Free energy and heat capacity of actinide elements and compounds are important properties for the evaluation of the safety and reliable performance of nuclear fuel. They are essential inputs for models that describe complex phenomena that govern the behaviour of actinide compounds during nuclear fuel fabrication and irradiation. This chapter introduces various experimental methods to measure free energy and heat capacity to serve as inputs for models and to validate computer simulations. This is followed by a discussion of computer simulation of these properties, and recent simulations of thermophysical properties of nuclear fuel are briefly reviewed.

Free energy simulations with the AMOEBA polarizable force field and metadynamics on GPU platform.

PubMed

Peng, Xiangda; Zhang, Yuebin; Chu, Huiying; Li, Guohui

2016-03-05

The free energy calculation library PLUMED has been incorporated into the OpenMM simulation toolkit, with the purpose to perform enhanced sampling MD simulations using the AMOEBA polarizable force field on GPU platform. Two examples, (I) the free energy profile of water pair separation (II) alanine dipeptide dihedral angle free energy surface in explicit solvent, are provided here to demonstrate the accuracy and efficiency of our implementation. The converged free energy profiles could be obtained within an affordable MD simulation time when the AMOEBA polarizable force field is employed. Moreover, the free energy surfaces estimated using the AMOEBA polarizable force field are in agreement with those calculated from experimental data and ab initio methods. Hence, the implementation in this work is reliable and would be utilized to study more complicated biological phenomena in both an accurate and efficient way. © 2015 Wiley Periodicals, Inc. © 2015 Wiley Periodicals, Inc.

Uncertainty Quantification in Alchemical Free Energy Methods.

PubMed

Bhati, Agastya P; Wan, Shunzhou; Hu, Yuan; Sherborne, Brad; Coveney, Peter V

2018-06-12

Alchemical free energy methods have gained much importance recently from several reports of improved ligand-protein binding affinity predictions based on their implementation using molecular dynamics simulations. A large number of variants of such methods implementing different accelerated sampling techniques and free energy estimators are available, each claimed to be better than the others in its own way. However, the key features of reproducibility and quantification of associated uncertainties in such methods have barely been discussed. Here, we apply a systematic protocol for uncertainty quantification to a number of popular alchemical free energy methods, covering both absolute and relative free energy predictions. We show that a reliable measure of error estimation is provided by ensemble simulation-an ensemble of independent MD simulations-which applies irrespective of the free energy method. The need to use ensemble methods is fundamental and holds regardless of the duration of time of the molecular dynamics simulations performed.

Laser beam propagation through turbulence and adaptive optics for beam delivery improvement

NASA Astrophysics Data System (ADS)

Nicolas, Stephane

2015-10-01

We report results from numerical simulations of laser beam propagation through atmospheric turbulence. In particular, we study the statistical variations of the fractional beam energy hitting inside an optical aperture placed at several kilometer distance. The simulations are performed for different turbulence conditions and engagement ranges, with and without the use of turbulence mitigation. Turbulence mitigation is simulated with phase conjugation. The energy fluctuations are deduced from time sequence realizations. It is shown that turbulence mitigation leads to an increase of the mean energy inside the aperture and decrease of the fluctuations even in strong turbulence conditions and long distance engagement. As an example, the results are applied to a high energy laser countermeasure system, where we determine the probability that a single laser pulse, or one of the pulses in a sequence, will provide a lethal energy inside the target aperture. Again, turbulence mitigation contributes to increase the performance of the system at long-distance and for strong turbulence conditions in terms of kill probability. We also discuss a specific case where turbulence contributes to increase the pulse energy within the target aperture. The present analysis can be used to evaluate the performance of a variety of systems, such as directed countermeasures, laser communication, and laser weapons.

Kosol Kiatreungwattana | NREL

Science.gov Websites

Kosol Kiatreungwattana Kosol Kiatreungwattana Senior Engineer - Building and Renewable Energy experience in building energy systems and renewable technologies, building energy codes, LEED certified projects, sustainable high performance building design, building energy simulation analysis/optimization

Strategy and gaps for modeling, simulation, and control of hybrid systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rabiti, Cristian; Garcia, Humberto E.; Hovsapian, Rob

2015-04-01

The purpose of this report is to establish a strategy for modeling and simulation of candidate hybrid energy systems. Modeling and simulation is necessary to design, evaluate, and optimize the system technical and economic performance. Accordingly, this report first establishes the simulation requirements to analysis candidate hybrid systems. Simulation fidelity levels are established based on the temporal scale, real and synthetic data availability or needs, solution accuracy, and output parameters needed to evaluate case-specific figures of merit. Accordingly, the associated computational and co-simulation resources needed are established; including physical models when needed, code assembly and integrated solutions platforms, mathematical solvers,more » and data processing. This report first attempts to describe the figures of merit, systems requirements, and constraints that are necessary and sufficient to characterize the grid and hybrid systems behavior and market interactions. Loss of Load Probability (LOLP) and effective cost of Effective Cost of Energy (ECE), as opposed to the standard Levelized Cost of Electricty (LCOE), are introduced as technical and economical indices for integrated energy system evaluations. Financial assessment methods are subsequently introduced for evaluation of non-traditional, hybrid energy systems. Algorithms for coupled and iterative evaluation of the technical and economic performance are subsequently discussed. This report further defines modeling objectives, computational tools, solution approaches, and real-time data collection and processing (in some cases using real test units) that will be required to model, co-simulate, and optimize; (a) an energy system components (e.g., power generation unit, chemical process, electricity management unit), (b) system domains (e.g., thermal, electrical or chemical energy generation, conversion, and transport), and (c) systems control modules. Co-simulation of complex, tightly coupled, dynamic energy systems requires multiple simulation tools, potentially developed in several programming languages and resolved on separate time scales. Whereas further investigation and development of hybrid concepts will provide a more complete understanding of the joint computational and physical modeling needs, this report highlights areas in which co-simulation capabilities are warranted. The current development status, quality assurance, availability and maintainability of simulation tools that are currently available for hybrid systems modeling is presented. Existing gaps in the modeling and simulation toolsets and development needs are subsequently discussed. This effort will feed into a broader Roadmap activity for designing, developing, and demonstrating hybrid energy systems.« less

Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations.

PubMed

Hou, Tingjun; Wang, Junmei; Li, Youyong; Wang, Wei

2011-01-24

The Molecular Mechanics/Poisson-Boltzmann Surface Area (MM/PBSA) and the Molecular Mechanics/Generalized Born Surface Area (MM/GBSA) methods calculate binding free energies for macromolecules by combining molecular mechanics calculations and continuum solvation models. To systematically evaluate the performance of these methods, we report here an extensive study of 59 ligands interacting with six different proteins. First, we explored the effects of the length of the molecular dynamics (MD) simulation, ranging from 400 to 4800 ps, and the solute dielectric constant (1, 2, or 4) on the binding free energies predicted by MM/PBSA. The following three important conclusions could be observed: (1) MD simulation length has an obvious impact on the predictions, and longer MD simulation is not always necessary to achieve better predictions. (2) The predictions are quite sensitive to the solute dielectric constant, and this parameter should be carefully determined according to the characteristics of the protein/ligand binding interface. (3) Conformational entropy often show large fluctuations in MD trajectories, and a large number of snapshots are necessary to achieve stable predictions. Next, we evaluated the accuracy of the binding free energies calculated by three Generalized Born (GB) models. We found that the GB model developed by Onufriev and Case was the most successful model in ranking the binding affinities of the studied inhibitors. Finally, we evaluated the performance of MM/GBSA and MM/PBSA in predicting binding free energies. Our results showed that MM/PBSA performed better in calculating absolute, but not necessarily relative, binding free energies than MM/GBSA. Considering its computational efficiency, MM/GBSA can serve as a powerful tool in drug design, where correct ranking of inhibitors is often emphasized.

Urban Heat Island Effect on the Energy Consumption of Institutional Buildings in Rome

NASA Astrophysics Data System (ADS)

Calice, Claudia; Clemente, Carola; Salvati, Agnese; Palme, Massimo; Inostroza, Luis

2017-10-01

The urban heat island (UHI) effect is constantly increasing the energy consumption of buildings, especially in summer periods. The energy gap between the estimated energy performance - often simulated without considering UHI - and the real operational consumption is especially relevant for institutional buildings, where the cooling needs are in general higher than in other kind of buildings, due to more internal gains (people, appliances) and different architectural design (more transparent façades and light walls). This paper presents a calculation of the energy penalty due to UHI in two institutional buildings in Rome. Urban Weather Generator (UWG) is used to generate a modified weather file, taking into account the UHI phenomenon. Then, two building performance simulations are done for each case: the first simulation uses a standard weather file and the second uses the modified one. Results shows how is it necessary to re-develop mitigation strategies and a new energy retrofit approach, in order to include urbanization ad UHI effect, especially in this kind of buildings, characterized by very poor conditions of comfort during summer, taking into account users and occupant-driven demand.

Geothermal reservoir simulation of hot sedimentary aquifer system using FEFLOW®

NASA Astrophysics Data System (ADS)

Nur Hidayat, Hardi; Gala Permana, Maximillian

2017-12-01

The study presents the simulation of hot sedimentary aquifer for geothermal utilization. Hot sedimentary aquifer (HSA) is a conduction-dominated hydrothermal play type utilizing deep aquifer, which is heated by near normal heat flow. One of the examples of HSA is Bavarian Molasse Basin in South Germany. This system typically uses doublet wells: an injection and production well. The simulation was run for 3650 days of simulation time. The technical feasibility and performance are analysed in regards to the extracted energy from this concept. Several parameters are compared to determine the model performance. Parameters such as reservoir characteristics, temperature information and well information are defined. Several assumptions are also defined to simplify the simulation process. The main results of the simulation are heat period budget or total extracted heat energy, and heat rate budget or heat production rate. Qualitative approaches for sensitivity analysis are conducted by using five parameters in which assigned lower and higher value scenarios.

Simulations of threshold displacement in beryllium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jackson, Matthew L.; Culham Centre for Fusion Energy, Culham Science Centre, Abingdon, Oxfordshire OX14 3DB; Fossati, Paul C. M.

Atomic scale molecular dynamics simulations of radiation damage have been performed on beryllium. Direct threshold displacement simulations along a geodesic projection of directions were used to investigate the directional dependence with a high spatial resolution. It was found that the directionally averaged probability of displacement increases from 0 at 35 eV, with the energy at which there is a 50% chance of a displacement occurring is 70 eV and asymptotically approaching 1 for higher energies. This is, however, strongly directionally dependent with a 50% probability of displacement varying from 35 to 120 eV, with low energy directions corresponding to the nearest neighbour directions.more » A new kinetic energy dependent expression for the average maximum displacement of an atom as a function of energy is derived which closely matches the simulated data.« less

An Electroacoustic Hearing Protector Simulator That Accurately Predicts Pressure Levels in the Ear Based on Standard Performance Metrics

DTIC Science & Technology

2013-08-01

earplug and earmuff showing HPD simulator elements for energy flow paths...unprotected or protected ear traditionally start with analysis of energy flow through schematic diagrams based on electroacoustic (EA) analogies between...Schröter, 1983; Schröter and Pösselt, 1986; Shaw and Thiessen, 1958, 1962; Zwislocki, 1957). The analysis method tracks energy flow through fluid and

iVPIC: A low-­dispersion, energy-­conserving relativistic PIC solver for LPI simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chacon, Luis

We have developed a novel low-­dispersion, exactly energy-­conserving PIC algorithm for the relativistic Vlasov-­Maxwell system. The approach features an exact energy conservation theorem while preserving the favorable performance and numerical dispersion properties of explicit PIC. The new algorithm has the potential to enable much longer laser-­plasma-­interaction (LPI) simulations than are currently possible.

Field test and simulation evaluation of variable refrigerant flow systems performance

DOE PAGES

Lee, Je Hyeon; Im, Piljae; Song, Young-hak

2017-10-24

Our study aims to compare the performance of a Variable Refrigerant Flow (VRF) system with a Roof Top Unit, (RTU) and a variable-air-volume (VAV) system through field tests and energy simulations. The field test was conducted in as similar conditions as possible between the two systems, such as the installation and operating environments of heating, the ventilation and air conditioning (HVAC) system, including internal heat gain and outdoor conditions, including buildings to compare the performance of the two systems accurately. A VRF system and RTU were installed at the test building located in Oak Ridge, Tennessee, in the USA. Themore » same internal heat gain was generated at the same operating time of the two systems using lighting, electric heaters, and humidifiers inside the building. The HVAC system was alternately operated between cooling and heating operations to acquire energy performance data and to compare energy usage. Furthermore, an hourly building energy simulation model was developed with regard to the VRF system and RTU, and then the model was calibrated using actual measured data. Then, annual energy consumption of the two systems were compared and analyzed using the calibrated model. Moreover, additional analysis was conducted when the controlled discharge air temperature in the RTU was changed. The field test result showed that when energy consumptions of two systems were compared at the same outdoor conditions, using the weather-normalized model, the VRF system exhibited an energy reduction of approximately 17% during cooling operation and of approximately 74% during heating operations. A comparison on the annual energy consumption using simulations showed that the VRF system reduced energy consumption more than that of the RTU by 60%. Furthermore, when the discharge air temperature in the RTU was controlled according to the outdoor air temperature, energy consumption of the RTU was reduced by 6% in cooling operations and by 18% in heating operation. As a result, energy consumption of the VRF system was reduced by more than that of the RTU by 55% approximately.« less

Field test and simulation evaluation of variable refrigerant flow systems performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Je Hyeon; Im, Piljae; Song, Young-hak

Our study aims to compare the performance of a Variable Refrigerant Flow (VRF) system with a Roof Top Unit, (RTU) and a variable-air-volume (VAV) system through field tests and energy simulations. The field test was conducted in as similar conditions as possible between the two systems, such as the installation and operating environments of heating, the ventilation and air conditioning (HVAC) system, including internal heat gain and outdoor conditions, including buildings to compare the performance of the two systems accurately. A VRF system and RTU were installed at the test building located in Oak Ridge, Tennessee, in the USA. Themore » same internal heat gain was generated at the same operating time of the two systems using lighting, electric heaters, and humidifiers inside the building. The HVAC system was alternately operated between cooling and heating operations to acquire energy performance data and to compare energy usage. Furthermore, an hourly building energy simulation model was developed with regard to the VRF system and RTU, and then the model was calibrated using actual measured data. Then, annual energy consumption of the two systems were compared and analyzed using the calibrated model. Moreover, additional analysis was conducted when the controlled discharge air temperature in the RTU was changed. The field test result showed that when energy consumptions of two systems were compared at the same outdoor conditions, using the weather-normalized model, the VRF system exhibited an energy reduction of approximately 17% during cooling operation and of approximately 74% during heating operations. A comparison on the annual energy consumption using simulations showed that the VRF system reduced energy consumption more than that of the RTU by 60%. Furthermore, when the discharge air temperature in the RTU was controlled according to the outdoor air temperature, energy consumption of the RTU was reduced by 6% in cooling operations and by 18% in heating operation. As a result, energy consumption of the VRF system was reduced by more than that of the RTU by 55% approximately.« less

The Modelling Analysis of the Response of Convective Transport of Energy and Water to Multiscale Surface Heterogeneity over Tibetan Plateau

NASA Astrophysics Data System (ADS)

SUN, G.; Hu, Z.; Ma, Y.; Ma, W.

2017-12-01

The land-atmospheric interactions over a heterogeneous surface is a tricky issue for accurately understanding the energy-water exchanges between land surface and atmosphere. We investigate the vertical transport of energy and water over a heterogeneous land surface in Tibetan Plateau during the evolution of the convective boundary layer using large eddy simulation (WRF_LES). The surface heterogeneity is created according to remote sensing images from high spatial resolution LandSat ETM+ images. The PBL characteristics over a heterogeneous surface are analyzed in terms of secondary circulations under different background wind conditions based on the horizontal and vertical distribution and evolution of wind. The characteristics of vertical transport of energy and heat over a heterogeneous surface are analyzed in terms of the horizontal distribution as well as temporal evolution of sensible and latent heat fluxes at different heights under different wind conditions on basis of the simulated results from WRF_LES. The characteristics of the heat and water transported into the free atmosphere from surface are also analyzed and quantified according to the simulated results from WRF_LES. The convective transport of energy and water are analyzed according to horizontal and vertical distributions of potential temperature and vapor under different background wind conditions. With the analysis based on the WRF_LES simulation, the performance of PBL schemes of mesoscale simulation (WRF_meso) is evaluated. The comparison between horizontal distribution of vertical fluxes and domain-averaged vertical fluxes of the energy and water in the free atmosphere is used to evaluate the performance of PBL schemes of WRF_meso in the simulation of vertical exchange of energy and water. This is an important variable because only the energy and water transported into free atmosphere is able to influence the regional and even global climate. This work would will be of great significance not only for understanding the land atmosphere interactions over a heterogeneous surface by evaluating and improving the performance PBL schemes in WRF-meso, but also for the understanding the profound effect of Tibetan Plateau on the regional and global climate.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 billmore » 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.« less

Multi-objective robust design of energy-absorbing components using coupled process-performance simulations

NASA Astrophysics Data System (ADS)

Najafi, Ali; Acar, Erdem; Rais-Rohani, Masoud

2014-02-01

The stochastic uncertainties associated with the material, process and product are represented and propagated to process and performance responses. A finite element-based sequential coupled process-performance framework is used to simulate the forming and energy absorption responses of a thin-walled tube in a manner that both material properties and component geometry can evolve from one stage to the next for better prediction of the structural performance measures. Metamodelling techniques are used to develop surrogate models for manufacturing and performance responses. One set of metamodels relates the responses to the random variables whereas the other relates the mean and standard deviation of the responses to the selected design variables. A multi-objective robust design optimization problem is formulated and solved to illustrate the methodology and the influence of uncertainties on manufacturability and energy absorption of a metallic double-hat tube. The results are compared with those of deterministic and augmented robust optimization problems.

Assessment of the water and energy budget simulation of three land surface models: CLM4.5, CoLM2014, and CoLM2005

NASA Astrophysics Data System (ADS)

Li, C.; Lu, H.; Wen, X.

2015-12-01

Land surface model (LSM), which simulates energy, water and momentum exchanges between land and atmosphere, is an important component of Earth System Models (ESM). As shown in CMIP5, different ESMs usually use different LSMs and represent various land surface status. In order to select a land surface model which could be embedded into the ESM developed in Tsinghua University, we firstly evaluate the performance of three LSMs: Community Land Model (CLM4.5) and two different versions of Common Land Model (CoLM2005 and CoLM2014). All of three models were driven by CRUNCEP data and simulation results from 1980 to 2010 were used in this study. Diagnostic data provided by NCAR, global latent and sensible heat flux map estimated by Jung, net radiation from SRB, and in situ observation collected from FluxNet were used as reference data. Two variables, surface runoff and snow depth, were used for evaluating the model performance in water budget simulation, while three variables including net radiation, sensible heat, and latent heat were used for assessing energy budget simulation. For 30 years averaged runoff, global average value of Colm2014 is 0.44mm/day and close to the diagnostic value of 0.75 mm/day, while that of Colm2005 is 0.44mm/day and that of CLM is 0.20mm/day. For snow depth simulation, three models all have overestimation in the Northern Hemisphere and underestimation in the Southern Hemisphere compare to diagnostic data. For 30 years energy budget simulation, at global scale, CoLM2005 performs best in latent heat estimation, CoLM2014 performs best in sensible heat simulation, and CoLM2005 and CoLM2014 make similar performance in net radiation estimation but is still better than CLM. At regional and local scale, comparing to the four years average of flux tower observation, RMSE of CoLM2005 is the smallest for latent heat (9.717 W/m2) , and for sensible heat simulation, RMSE of CoLM2005 (13.048 W/m2) is slightly greater than CLM(10.767 W/m2) but still better than CoLM2014(30.085 W/m2). Our analysis shows that both CoLM 2005 and CoLM 2014 are able to reproduce comparable land surface water and energy fluxes. It implies that the ESM developed in Tsinghua University may use CoLM, a LSM developed and maintained in China, as the land surface component. .

Simulations of material mixing in laser-driven reshock experiments

NASA Astrophysics Data System (ADS)

Haines, Brian M.; Grinstein, Fernando F.; Welser-Sherrill, Leslie; Fincke, James R.

2013-02-01

We perform simulations of a laser-driven reshock experiment [Welser-Sherrill et al., High Energy Density Phys. (unpublished)] in the strong-shock high energy-density regime to better understand material mixing driven by the Richtmyer-Meshkov instability. Validation of the simulations is based on direct comparison of simulation and radiographic data. Simulations are also compared with published direct numerical simulation and the theory of homogeneous isotropic turbulence. Despite the fact that the flow is neither homogeneous, isotropic nor fully turbulent, there are local regions in which the flow demonstrates characteristics of homogeneous isotropic turbulence. We identify and isolate these regions by the presence of high levels of turbulent kinetic energy (TKE) and vorticity. After reshock, our analysis shows characteristics consistent with those of incompressible isotropic turbulence. Self-similarity and effective Reynolds number assessments suggest that the results are reasonably converged at the finest resolution. Our results show that in shock-driven transitional flows, turbulent features such as self-similarity and isotropy only fully develop once de-correlation, characteristic vorticity distributions, and integrated TKE, have decayed significantly. Finally, we use three-dimensional simulation results to test the performance of two-dimensional Reynolds-averaged Navier-Stokes simulations. In this context, we also test a presumed probability density function turbulent mixing model extensively used in combustion applications.

Caffeine-containing energy drink improves physical performance in female soccer players.

PubMed

Lara, Beatriz; Gonzalez-Millán, Cristina; Salinero, Juan Jose; Abian-Vicen, Javier; Areces, Francisco; Barbero-Alvarez, Jose Carlos; Muñoz, Víctor; Portillo, Luis Javier; Gonzalez-Rave, Jose Maria; Del Coso, Juan

2014-05-01

There is little information about the effects of caffeine intake on female team-sport performance. The aim of this study was to investigate the effectiveness of a caffeine-containing energy drink to improve physical performance in female soccer players during a simulated game. A double-blind, placebo controlled and randomized experimental design was used in this investigation. In two different sessions, 18 women soccer players ingested 3 mg of caffeine/kg in the form of an energy drink or an identical drink with no caffeine content (placebo). After 60 min, they performed a countermovement jump (CMJ) and a 7 × 30 m sprint test followed by a simulated soccer match (2 × 40 min). Individual running distance and speed were measured using GPS devices. In comparison to the placebo drink, the ingestion of the caffeinated energy drink increased the CMJ height (26.6 ± 4.0 vs 27.4 ± 3.8 cm; P < 0.05) and the average peak running speed during the sprint test (24.2 ± 1.6 vs 24.5 ± 1.7 km/h; P < 0.05). During the simulated match, the energy drink increased the total running distance (6,631 ± 1,618 vs 7,087 ± 1,501 m; P < 0.05), the number of sprints bouts (16 ± 9 vs 21 ± 13; P < 0.05) and the running distance covered at >18 km/h (161 ± 99 vs 216 ± 103 m; P < 0.05). The ingestion of the energy drink did not affect the prevalence of negative side effects after the game. An energy drink with a dose equivalent to 3 mg of caffeine/kg might be an effective ergogenic aid to improve physical performance in female soccer players.

Energy efficient strategy for throughput improvement in wireless sensor networks.

PubMed

Jabbar, Sohail; Minhas, Abid Ali; Imran, Muhammad; Khalid, Shehzad; Saleem, Kashif

2015-01-23

Network lifetime and throughput are one of the prime concerns while designing routing protocols for wireless sensor networks (WSNs). However, most of the existing schemes are either geared towards prolonging network lifetime or improving throughput. This paper presents an energy efficient routing scheme for throughput improvement in WSN. The proposed scheme exploits multilayer cluster design for energy efficient forwarding node selection, cluster heads rotation and both inter- and intra-cluster routing. To improve throughput, we rotate the role of cluster head among various nodes based on two threshold levels which reduces the number of dropped packets. We conducted simulations in the NS2 simulator to validate the performance of the proposed scheme. Simulation results demonstrate the performance efficiency of the proposed scheme in terms of various metrics compared to similar approaches published in the literature.

Energy Efficient Strategy for Throughput Improvement in Wireless Sensor Networks

PubMed Central

Jabbar, Sohail; Minhas, Abid Ali; Imran, Muhammad; Khalid, Shehzad; Saleem, Kashif

2015-01-01

Network lifetime and throughput are one of the prime concerns while designing routing protocols for wireless sensor networks (WSNs). However, most of the existing schemes are either geared towards prolonging network lifetime or improving throughput. This paper presents an energy efficient routing scheme for throughput improvement in WSN. The proposed scheme exploits multilayer cluster design for energy efficient forwarding node selection, cluster heads rotation and both inter- and intra-cluster routing. To improve throughput, we rotate the role of cluster head among various nodes based on two threshold levels which reduces the number of dropped packets. We conducted simulations in the NS2 simulator to validate the performance of the proposed scheme. Simulation results demonstrate the performance efficiency of the proposed scheme in terms of various metrics compared to similar approaches published in the literature. PMID:25625902

Numerical Study of Particle Damping Mechanism in Piston Vibration System via Particle Dynamics Simulation

NASA Astrophysics Data System (ADS)

Bai, Xian-Ming; Shah, Binoy; Keer, Leon; Wang, Jane; Snurr, Randall

2008-03-01

Mechanical damping systems with granular particles as the damping media have promising applications in extreme temperature conditions. In particle-based damping systems, the mechanical energy is dissipated through the inelastic collision and friction of particles. In the past, many experiments have been performed to investigate the particle damping problems. However, the detailed energy dissipation mechanism is still unclear due to the complex collision and flow behavior of dense particles. In this work, we use 3-D particle dynamics simulation to investigate the damping mechanism of an oscillating cylinder piston immerged in millimeter-size steel particles. The time evolution of the energy dissipation through the friction and inelastic collision is accurately monitored during the damping process. The contribution from the particle-particle interaction and particle-wall interaction is also separated for investigation. The effects of moisture, surface roughness, and density of particles are carefully investigated in the simulation. The comparison between the numerical simulation and experiment is also performed. The simulation results can help us understand the particle damping mechanism and design the new generation of particle damping devices.

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys

DOE PAGES

Zarkadoula, Eva; Samolyuk, German; Weber, William J.

2017-01-03

In high-energy irradiation events, energy from the fast moving ion is transferred to the system via nuclear and electronic energy loss mechanisms. The nuclear energy loss results in the creation of point defects and clusters, while the energy transferred to the electrons results in the creation of high electronic temperatures, which can affect the damage evolution. In this paper, we perform molecular dynamics simulations of 30 keV and 50 keV Ni ion cascades in nickel-based alloys without and with the electronic effects taken into account. We compare the results of classical molecular dynamics (MD) simulations, where the electronic effects aremore » ignored, with results from simulations that include the electronic stopping only, as well as simulations where both the electronic stopping and the electron-phonon coupling are incorporated, as described by the two temperature model (2T-MD). Finally, our results indicate that the 2T-MD leads to a smaller amount of damage, more isolated defects and smaller defect clusters.« less

Modeling the energy performance of event-driven wireless sensor network by using static sink and mobile sink.

PubMed

Chen, Jiehui; Salim, Mariam B; Matsumoto, Mitsuji

2010-01-01

Wireless Sensor Networks (WSNs) designed for mission-critical applications suffer from limited sensing capacities, particularly fast energy depletion. Regarding this, mobile sinks can be used to balance the energy consumption in WSNs, but the frequent location updates of the mobile sinks can lead to data collisions and rapid energy consumption for some specific sensors. This paper explores an optimal barrier coverage based sensor deployment for event driven WSNs where a dual-sink model was designed to evaluate the energy performance of not only static sensors, but Static Sink (SS) and Mobile Sinks (MSs) simultaneously, based on parameters such as sensor transmission range r and the velocity of the mobile sink v, etc. Moreover, a MS mobility model was developed to enable SS and MSs to effectively collaborate, while achieving spatiotemporal energy performance efficiency by using the knowledge of the cumulative density function (cdf), Poisson process and M/G/1 queue. The simulation results verified that the improved energy performance of the whole network was demonstrated clearly and our eDSA algorithm is more efficient than the static-sink model, reducing energy consumption approximately in half. Moreover, we demonstrate that our results are robust to realistic sensing models and also validate the correctness of our results through extensive simulations.

Modeling the Energy Performance of Event-Driven Wireless Sensor Network by Using Static Sink and Mobile Sink

PubMed Central

Chen, Jiehui; Salim, Mariam B.; Matsumoto, Mitsuji

2010-01-01

Wireless Sensor Networks (WSNs) designed for mission-critical applications suffer from limited sensing capacities, particularly fast energy depletion. Regarding this, mobile sinks can be used to balance the energy consumption in WSNs, but the frequent location updates of the mobile sinks can lead to data collisions and rapid energy consumption for some specific sensors. This paper explores an optimal barrier coverage based sensor deployment for event driven WSNs where a dual-sink model was designed to evaluate the energy performance of not only static sensors, but Static Sink (SS) and Mobile Sinks (MSs) simultaneously, based on parameters such as sensor transmission range r and the velocity of the mobile sink v, etc. Moreover, a MS mobility model was developed to enable SS and MSs to effectively collaborate, while achieving spatiotemporal energy performance efficiency by using the knowledge of the cumulative density function (cdf), Poisson process and M/G/1 queue. The simulation results verified that the improved energy performance of the whole network was demonstrated clearly and our eDSA algorithm is more efficient than the static-sink model, reducing energy consumption approximately in half. Moreover, we demonstrate that our results are robust to realistic sensing models and also validate the correctness of our results through extensive simulations. PMID:22163503

EnergyPlus™

DOE Office of Scientific and Technical Information (OSTI.GOV)

Originally developed in 1999, an updated version 8.8.0 with bug fixes was released on September 30th, 2017. EnergyPlus™ is a whole building energy simulation program that engineers, architects, and researchers use to model both energy consumption—for heating, cooling, ventilation, lighting and plug and process loads—and water use in buildings. EnergyPlus is a console-based program that reads input and writes output to text files. It ships with a number of utilities including IDF-Editor for creating input files using a simple spreadsheet-like interface, EP-Launch for managing input and output files and performing batch simulations, and EP-Compare for graphically comparing the results ofmore » two or more simulations. Several comprehensive graphical interfaces for EnergyPlus are also available. DOE does most of its work with EnergyPlus using the OpenStudio® software development kit and suite of applications. DOE releases major updates to EnergyPlus twice annually.« less

Analysis of energy resolution in the KURRI-LINAC pulsed neutron facility

NASA Astrophysics Data System (ADS)

Sano, Tadafumi; Hori, Jun-ichi; Takahashi, Yoshiyuki; Yashima, Hiroshi; Lee, Jaehong; Harada, Hideo

2017-09-01

In this study, we carried out Monte Carlo simulations to obtain the energy resolution of the neutron flux for TOF measurements in the KURRI-LINAC pulsed neutron facility. The simulation was performed on the moderated neutron flux from the pac-man type moderator at the energy range from 0.1 eV to 10 keV. As the result, we obtained the energy resolutions (ΔE/E) of about 0.7% to 1.3% between 0.1 eV to 10 keV. The energy resolution obtained from Monte Carlo simulation agreed with the resolution using the simplified evaluation formula. In addition, we compared the energy resolution among KURRI-LINAC and other TOF facilities, the energy dependency of the energy resolution with the pac-man type moderator in KURRI-LINAC was similar to the J-PARC ANNRI for the single-bunch mode.

Optimization and parallelization of the thermal–hydraulic subchannel code CTF for high-fidelity multi-physics applications

DOE PAGES

Salko, Robert K.; Schmidt, Rodney C.; Avramova, Maria N.

2014-11-23

This study describes major improvements to the computational infrastructure of the CTF subchannel code so that full-core, pincell-resolved (i.e., one computational subchannel per real bundle flow channel) simulations can now be performed in much shorter run-times, either in stand-alone mode or as part of coupled-code multi-physics calculations. These improvements support the goals of the Department Of Energy Consortium for Advanced Simulation of Light Water Reactors (CASL) Energy Innovation Hub to develop high fidelity multi-physics simulation tools for nuclear energy design and analysis.

IFC BIM-Based Methodology for Semi-Automated Building Energy Performance Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bazjanac, Vladimir

2008-07-01

Building energy performance (BEP) simulation is still rarely used in building design, commissioning and operations. The process is too costly and too labor intensive, and it takes too long to deliver results. Its quantitative results are not reproducible due to arbitrary decisions and assumptions made in simulation model definition, and can be trusted only under special circumstances. A methodology to semi-automate BEP simulation preparation and execution makes this process much more effective. It incorporates principles of information science and aims to eliminate inappropriate human intervention that results in subjective and arbitrary decisions. This is achieved by automating every part ofmore » the BEP modeling and simulation process that can be automated, by relying on data from original sources, and by making any necessary data transformation rule-based and automated. This paper describes the new methodology and its relationship to IFC-based BIM and software interoperability. It identifies five steps that are critical to its implementation, and shows what part of the methodology can be applied today. The paper concludes with a discussion of application to simulation with EnergyPlus, and describes data transformation rules embedded in the new Geometry Simplification Tool (GST).« less

Development of new methodologies for evaluating the energy performance of new commercial buildings

NASA Astrophysics Data System (ADS)

Song, Suwon

The concept of Measurement and Verification (M&V) of a new building continues to become more important because efficient design alone is often not sufficient to deliver an efficient building. Simulation models that are calibrated to measured data can be used to evaluate the energy performance of new buildings if they are compared to energy baselines such as similar buildings, energy codes, and design standards. Unfortunately, there is a lack of detailed M&V methods and analysis methods to measure energy savings from new buildings that would have hypothetical energy baselines. Therefore, this study developed and demonstrated several new methodologies for evaluating the energy performance of new commercial buildings using a case-study building in Austin, Texas. First, three new M&V methods were developed to enhance the previous generic M&V framework for new buildings, including: (1) The development of a method to synthesize weather-normalized cooling energy use from a correlation of Motor Control Center (MCC) electricity use when chilled water use is unavailable, (2) The development of an improved method to analyze measured solar transmittance against incidence angle for sample glazing using different solar sensor types, including Eppley PSP and Li-Cor sensors, and (3) The development of an improved method to analyze chiller efficiency and operation at part-load conditions. Second, three new calibration methods were developed and analyzed, including: (1) A new percentile analysis added to the previous signature method for use with a DOE-2 calibration, (2) A new analysis to account for undocumented exhaust air in DOE-2 calibration, and (3) An analysis of the impact of synthesized direct normal solar radiation using the Erbs correlation on DOE-2 simulation. Third, an analysis of the actual energy savings compared to three different energy baselines was performed, including: (1) Energy Use Index (EUI) comparisons with sub-metered data, (2) New comparisons against Standards 90.1-1989 and 90.1-2001, and (3) A new evaluation of the performance of selected Energy Conservation Design Measures (ECDMs). Finally, potential energy savings were also simulated from selected improvements, including: minimum supply air flow, undocumented exhaust air, and daylighting.

A smart grid simulation testbed using Matlab/Simulink

NASA Astrophysics Data System (ADS)

Mallapuram, Sriharsha; Moulema, Paul; Yu, Wei

2014-06-01

The smart grid is the integration of computing and communication technologies into a power grid with a goal of enabling real time control, and a reliable, secure, and efficient energy system [1]. With the increased interest of the research community and stakeholders towards the smart grid, a number of solutions and algorithms have been developed and proposed to address issues related to smart grid operations and functions. Those technologies and solutions need to be tested and validated before implementation using software simulators. In this paper, we developed a general smart grid simulation model in the MATLAB/Simulink environment, which integrates renewable energy resources, energy storage technology, load monitoring and control capability. To demonstrate and validate the effectiveness of our simulation model, we created simulation scenarios and performed simulations using a real-world data set provided by the Pecan Street Research Institute.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Tianzhen; Yan, Da; D'Oca, Simona

Occupant behavior has significant impacts on building energy performance and occupant comfort. However, occupant behavior is not well understood and is often oversimplified in the building life cycle, due to its stochastic, diverse, complex, and interdisciplinary nature. The use of simplified methods or tools to quantify the impacts of occupant behavior in building performance simulations significantly contributes to performance gaps between simulated models and actual building energy consumption. Therefore, it is crucial to understand occupant behavior in a comprehensive way, integrating qualitative approaches and data- and model-driven quantitative approaches, and employing appropriate tools to guide the design and operation ofmore » low-energy residential and commercial buildings that integrate technological and human dimensions. This paper presents ten questions, highlighting some of the most important issues regarding concepts, applications, and methodologies in occupant behavior research. The proposed questions and answers aim to provide insights into occupant behavior for current and future researchers, designers, and policy makers, and most importantly, to inspire innovative research and applications to increase energy efficiency and reduce energy use in buildings.« less

An Energy Storage Assessment: Using Optimal Control Strategies to Capture Multiple Services

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Di; Jin, Chunlian; Balducci, Patrick J.

2015-09-01

This paper presents a methodology for evaluating benefits of battery storage for multiple grid applications, including energy arbitrage, balancing service, capacity value, distribution system equipment deferral, and outage mitigation. In the proposed method, at each hour, a look-ahead optimization is first formulated and solved to determine battery base operating point. The minute by minute simulation is then performed to simulate the actual battery operation. This methodology is used to assess energy storage alternatives in Puget Sound Energy System. Different battery storage candidates are simulated for a period of one year to assess different value streams and overall benefits, as partmore » of a financial feasibility evaluation of battery storage projects.« less

Building integrated semi-transparent photovoltaics: energy and daylighting performance

NASA Astrophysics Data System (ADS)

Kapsis, Konstantinos; Athienitis, Andreas K.

2011-08-01

This paper focuses on modeling and evaluation of semi-transparent photovoltaic technologies integrated into a coolingdominated office building façade by employing the concept of three-section façade. An energy simulation model is developed, using building simulation software, to investigate the effect of semi-transparent photovoltaic transmittance on the energy performance of an office in a typical office building in Montreal. The analysis is performed for five major façade orientations and two façade configurations. Using semi-transparent photovoltaic integrated into the office façade, electricity savings of up to 53.1% can be achieved compared to a typical office equipped with double glazing with Argon filling and a low emissivity coating, and lighting controlled based on occupancy and daylight levels.e.c

High Performance Computing Modeling Advances Accelerator Science for High-Energy Physics

DOE PAGES

Amundson, James; Macridin, Alexandru; Spentzouris, Panagiotis

2014-07-28

The development and optimization of particle accelerators are essential for advancing our understanding of the properties of matter, energy, space, and time. Particle accelerators are complex devices whose behavior involves many physical effects on multiple scales. Therefore, advanced computational tools utilizing high-performance computing are essential for accurately modeling them. In the past decade, the US Department of Energy's SciDAC program has produced accelerator-modeling tools that have been employed to tackle some of the most difficult accelerator science problems. The authors discuss the Synergia framework and its applications to high-intensity particle accelerator physics. Synergia is an accelerator simulation package capable ofmore » handling the entire spectrum of beam dynamics simulations. Our authors present Synergia's design principles and its performance on HPC platforms.« less

Energy retrofit of an office building by substitution of the generation system: performance evaluation via dynamic simulation versus current technical standards

NASA Astrophysics Data System (ADS)

Testi, D.; Schito, E.; Menchetti, E.; Grassi, W.

2014-11-01

Constructions built in Italy before 1945 (about 30% of the total built stock) feature low energy efficiency. Retrofit actions in this field can lead to valuable energetic and economic savings. In this work, we ran a dynamic simulation of a historical building of the University of Pisa during the heating season. We firstly evaluated the energy requirements of the building and the performance of the existing natural gas boiler, validated with past billings of natural gas. We also verified the energetic savings obtainable by the substitution of the boiler with an air-to-water electrically-driven modulating heat pump, simulated through a cycle-based model, evaluating the main economic metrics. The cycle-based model of the heat pump, validated with manufacturers' data available only at specified temperature and load conditions, can provide more accurate results than the simplified models adopted by current technical standards, thus increasing the effectiveness of energy audits.

Direct Quantum Dynamics Using Grid-Based Wave Function Propagation and Machine-Learned Potential Energy Surfaces.

PubMed

Richings, Gareth W; Habershon, Scott

2017-09-12

We describe a method for performing nuclear quantum dynamics calculations using standard, grid-based algorithms, including the multiconfiguration time-dependent Hartree (MCTDH) method, where the potential energy surface (PES) is calculated "on-the-fly". The method of Gaussian process regression (GPR) is used to construct a global representation of the PES using values of the energy at points distributed in molecular configuration space during the course of the wavepacket propagation. We demonstrate this direct dynamics approach for both an analytical PES function describing 3-dimensional proton transfer dynamics in malonaldehyde and for 2- and 6-dimensional quantum dynamics simulations of proton transfer in salicylaldimine. In the case of salicylaldimine we also perform calculations in which the PES is constructed using Hartree-Fock calculations through an interface to an ab initio electronic structure code. In all cases, the results of the quantum dynamics simulations are in excellent agreement with previous simulations of both systems yet do not require prior fitting of a PES at any stage. Our approach (implemented in a development version of the Quantics package) opens a route to performing accurate quantum dynamics simulations via wave function propagation of many-dimensional molecular systems in a direct and efficient manner.

Small Horizontal Axis Wind Turbine under High Speed Operation: Study of Power Evaluation

NASA Astrophysics Data System (ADS)

Moh. M. Saad, Magedi; Mohd, Sofian Bin; Zulkafli, Mohd Fadhli Bin; Abdullah, Aslam Bin; Rahim, Mohammad Zulafif Bin; Subari, Zulkhairi Bin; Rosly, Nurhayati Binti

2017-10-01

Mechanical energy is produced through the rotation of wind turbine blades by air that convert the mechanical energy into electrical energy. Wind turbines are usually designed to be use for particular applications and design characteristics may vary depending on the area of use. The variety of applications is reflected on the size of turbines and their infrastructures, however, performance enhancement of wind turbine may start by analyzing the small horizontal axis wind turbine (SHAWT) under high wind speed operation. This paper analyzes the implementations of SHAWT turbines and investigates their performance in both simulation and real life. Depending on the real structure of the rotor geometry and aerodynamic test, the power performance of the SHAWT was simulated using ANSYS-FLUENT software at different wind speed up to 33.33 m/s (120km/h) in order to numerically investigate the actual turbine operation. Dynamic mesh and user define function (UDF) was used for revolving the rotor turbine via wind. Simulation results were further validated by experimental data and hence good matching was yielded. And for reducing the energy producing cost, car alternator was formed to be used as a small horizontal wind turbine. As a result, alternator-based turbine system was found to be a low-cost solution for exploitation of wind energy.

Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Bo, Zheng; Li, Changwen; Yang, Huachao; Ostrikov, Kostya; Yan, Jianhua; Cen, Kefa

2018-06-01

Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode-electrolyte interactions is of vital importance to enhance device performance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density. Here we discuss recent MD simulation studies on energy storage performance of electrode materials containing porous to nanostructures. The energy storage properties are related to the electrode structures, including electrode geometry and electrode modifications. Altering electrode geometry, i.e., pore size and surface topography, can influence EDL capacitance. We critically examine different types of electrode modifications, such as altering the arrangement of carbon atoms, doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.[Figure not available: see fulltext.

Dane Christensen | NREL

Science.gov Websites

-performance building simulation. Dane supports technical efforts for the Building America Program and conducts finite element modeling for building energy simulation. Prior to joining NREL, Dane worked at Atec, Inc

Structure prediction and molecular simulation of gases diffusion pathways in hydrogenase.

PubMed

Sundaram, Shanthy; Tripathi, Ashutosh; Gupta, Vipul

2010-10-06

Although hydrogen is considered to be one of the most promising future energy sources and the technical aspects involved in using it have advanced considerably, the future supply of hydrogen from renewable sources is still unsolved. The [Fe]- hydrogenase enzymes are highly efficient H(2) catalysts found in ecologically and phylogenetically diverse microorganisms, including the photosynthetic green alga, Chlamydomonas reinhardtii. While these enzymes can occur in several forms, H(2) catalysis takes place at a unique [FeS] prosthetic group or H-cluster, located at the active site. 3D structure of the protein hydA1 hydrogenase from Chlamydomonas reinhardtti was predicted using the MODELER 8v2 software. Conserved region was depicted from the NCBI CDD Search. Template selection was done on the basis NCBI BLAST results. For single template 1FEH was used and for multiple templates 1FEH and 1HFE were used. The result of the Homology modeling was verified by uploading the file to SAVS server. On the basis of the SAVS result 3D structure predicted using single template was chosen for performing molecular simulation. For performing molecular simulation three strategies were used. First the molecular simulation of the protein was performed in solvated box containing bulk water. Then 100 H(2) molecules were randomly inserted in the solvated box and two simulations of 50 and 100 ps were performed. Similarly 100 O(2) molecules were randomly placed in the solvated box and again 50 and 100 ps simulation were performed. Energy minimization was performed before each simulation was performed. Conformations were saved after each simulation. Analysis of the gas diffusion was done on the basis of RMSD, Radius of Gyration and no. of gas molecule/ps plot.

A non-linear steady state characteristic performance curve for medium temperature solar energy collectors

NASA Astrophysics Data System (ADS)

Eames, P. C.; Norton, B.

A numerical simulation model was employed to investigate the effects of ambient temperature and insolation on the efficiency of compound parabolic concentrating solar energy collectors. The limitations of presently-used collector performance characterization curves were investigated and a new approach proposed.

A Python tool to set up relative free energy calculations in GROMACS.

PubMed

Klimovich, Pavel V; Mobley, David L

2015-11-01

Free energy calculations based on molecular dynamics (MD) simulations have seen a tremendous growth in the last decade. However, it is still difficult and tedious to set them up in an automated manner, as the majority of the present-day MD simulation packages lack that functionality. Relative free energy calculations are a particular challenge for several reasons, including the problem of finding a common substructure and mapping the transformation to be applied. Here we present a tool, alchemical-setup.py, that automatically generates all the input files needed to perform relative solvation and binding free energy calculations with the MD package GROMACS. When combined with Lead Optimization Mapper (LOMAP; Liu et al. in J Comput Aided Mol Des 27(9):755-770, 2013), recently developed in our group, alchemical-setup.py allows fully automated setup of relative free energy calculations in GROMACS. Taking a graph of the planned calculations and a mapping, both computed by LOMAP, our tool generates the topology and coordinate files needed to perform relative free energy calculations for a given set of molecules, and provides a set of simulation input parameters. The tool was validated by performing relative hydration free energy calculations for a handful of molecules from the SAMPL4 challenge (Mobley et al. in J Comput Aided Mol Des 28(4):135-150, 2014). Good agreement with previously published results and the straightforward way in which free energy calculations can be conducted make alchemical-setup.py a promising tool for automated setup of relative solvation and binding free energy calculations.

Performance evaluation of radiant cooling system integrated with air system under different operational strategies

DOE PAGES

Khan, Yasin; Khare, Vaibhav Rai; Mathur, Jyotirmay; ...

2015-03-26

The paper describes a parametric study developed to estimate the energy savings potential of a radiant cooling system installed in a commercial building in India. The study is based on numerical modeling of a radiant cooling system installed in an Information Technology (IT) office building sited in the composite climate of Hyderabad. To evaluate thermal performance and energy consumption, simulations were carried out using the ANSYS FLUENT and EnergyPlus softwares, respectively. The building model was calibrated using the measured data for the installed radiant system. Then this calibrated model was used to simulate the energy consumption of a building usingmore » a conventional all-air system to determine the proportional energy savings. For proper handling of the latent load, a dedicated outside air system (DOAS) was used as an alternative to Fan Coil Unit (FCU). A comparison of energy consumption calculated that the radiant system was 17.5 % more efficient than a conventional all-air system and that a 30% savings was achieved by using a DOAS system compared with a conventional system. Computational Fluid Dynamics (CFD) simulation was performed to evaluate indoor air quality and thermal comfort. It was found that a radiant system offers more uniform temperatures, as well as a better mean air temperature range, than a conventional system. To further enhance the energy savings in the radiant system, different operational strategies were analyzed based on thermal analysis using EnergyPlus. Lastly, the energy savings achieved in this parametric run were more than 10% compared with a conventional all-air system.« less

Performance of Radiant Heating Systems of Low-Energy Buildings

NASA Astrophysics Data System (ADS)

Sarbu, Ioan; Mirza, Matei; Crasmareanu, Emanuel

2017-10-01

After the introduction of plastic piping, the application of water-based radiant heating with pipes embedded in room surfaces (i.e., floors, walls, and ceilings), has significantly increased worldwide. Additionally, interest and growth in radiant heating and cooling systems have increased in recent years because they have been demonstrated to be energy efficient in comparison to all-air distribution systems. This paper briefly describes the heat distribution systems in buildings, focusing on the radiant panels (floor, wall, ceiling, and floor-ceiling). Main objective of this study is the performance investigation of different types of low-temperature heating systems with different methods. Additionally, a comparative analysis of the energy, environmental, and economic performances of floor, wall, ceiling, and floor-ceiling heating using numerical simulation with Transient Systems Simulation (TRNSYS) software is performed. This study showed that the floor-ceiling heating system has the best performance in terms of the lowest energy consumption, operation cost, CO2 emission, and the nominal boiler power. The comparison of the room operative air temperatures and the set-point operative air temperature indicates also that all radiant panel systems provide satisfactory results without significant deviations.

Molecular-Level Simulations of the Turbulent Taylor-Green Flow

NASA Astrophysics Data System (ADS)

Gallis, M. A.; Bitter, N. P.; Koehler, T. P.; Plimpton, S. J.; Torczynski, J. R.; Papadakis, G.

2017-11-01

The Direct Simulation Monte Carlo (DSMC) method, a statistical, molecular-level technique that provides accurate solutions to the Boltzmann equation, is applied to the turbulent Taylor-Green vortex flow. The goal of this work is to investigate whether DSMC can accurately simulate energy decay in a turbulent flow. If so, then simulating turbulent flows at the molecular level can provide new insights because the energy decay can be examined in detail from molecular to macroscopic length scales, thereby directly linking molecular relaxation processes to macroscopic transport processes. The DSMC simulations are performed on half a million cores of Sequoia, the 17 Pflop platform at Lawrence Livermore National Laboratory, and the kinetic-energy dissipation rate and the energy spectrum are computed directly from the molecular velocities. The DSMC simulations are found to reproduce the Kolmogorov -5/3 law and to agree with corresponding Navier-Stokes simulations obtained using a spectral method. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Simulation of radiation energy release in air showers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glaser, Christian; Erdmann, Martin; Hörandel, Jörg R.

2016-09-01

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 dependence on themore » atmospheric density at the position of the maximum shower development X {sub max}. In a measurement where X {sub max} 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 loss in accuracy. Our method results in an intrinsic uncertainty of 4% in the determination of the energy in the electromagnetic air-shower component, which is well below current experimental uncertainties.« less

Issues for Simulation of Galactic Cosmic Ray Exposures for Radiobiological Research at Ground-Based Accelerators

PubMed Central

Kim, Myung-Hee Y.; Rusek, Adam; Cucinotta, Francis A.

2015-01-01

For radiobiology research on the health risks of galactic cosmic rays (GCR) ground-based accelerators have been used with mono-energetic beams of single high charge, Z and energy, E (HZE) particles. In this paper, we consider the pros and cons of a GCR reference field at a particle accelerator. At the NASA Space Radiation Laboratory (NSRL), we have proposed a GCR simulator, which implements a new rapid switching mode and higher energy beam extraction to 1.5 GeV/u, in order to integrate multiple ions into a single simulation within hours or longer for chronic exposures. After considering the GCR environment and energy limitations of NSRL, we performed extensive simulation studies using the stochastic transport code, GERMcode (GCR Event Risk Model) to define a GCR reference field using 9 HZE particle beam–energy combinations each with a unique absorber thickness to provide fragmentation and 10 or more energies of proton and 4He beams. The reference field is shown to well represent the charge dependence of GCR dose in several energy bins behind shielding compared to a simulated GCR environment. However, a more significant challenge for space radiobiology research is to consider chronic GCR exposure of up to 3 years in relation to simulations with animal models of human risks. We discuss issues in approaches to map important biological time scales in experimental models using ground-based simulation, with extended exposure of up to a few weeks using chronic or fractionation exposures. A kinetics model of HZE particle hit probabilities suggests that experimental simulations of several weeks will be needed to avoid high fluence rate artifacts, which places limitations on the experiments to be performed. Ultimately risk estimates are limited by theoretical understanding, and focus on improving knowledge of mechanisms and development of experimental models to improve this understanding should remain the highest priority for space radiobiology research. PMID:26090339

Advanced Coupled Simulation of Borehole Thermal Energy Storage Systems and Above Ground Installations

NASA Astrophysics Data System (ADS)

Welsch, Bastian; Rühaak, Wolfram; Schulte, Daniel O.; Bär, Kristian; Sass, Ingo

2016-04-01

Seasonal thermal energy storage in borehole heat exchanger arrays is a promising technology to reduce primary energy consumption and carbon dioxide emissions. These systems usually consist of several subsystems like the heat source (e.g. solarthermics or a combined heat and power plant), the heat consumer (e.g. a heating system), diurnal storages (i.e. water tanks), the borehole thermal energy storage, additional heat sources for peak load coverage (e.g. a heat pump or a gas boiler) and the distribution network. For the design of an integrated system, numerical simulations of all subsystems are imperative. A separate simulation of the borehole energy storage is well-established but represents a simplification. In reality, the subsystems interact with each other. The fluid temperatures of the heat generation system, the heating system and the underground storage are interdependent and affect the performance of each subsystem. To take into account these interdependencies, we coupled a software for the simulation of the above ground facilities with a finite element software for the modeling of the heat flow in the subsurface and the borehole heat exchangers. This allows for a more realistic view on the entire system. Consequently, a finer adjustment of the system components and a more precise prognosis of the system's performance can be ensured.

Energy saving potential of a two-pipe system for simultaneous heating and cooling of office buildings

DOE PAGES

Maccarini, Alessandro; Wetter, Michael; Afshari, Alireza; ...

2016-10-31

This paper analyzes the performance of a novel two-pipe system that operates one water loop to simultaneously provide space heating and cooling with a water supply temperature of around 22 °C. To analyze the energy performance of the system, a simulation-based research was conducted. The two-pipe system was modelled using the equation-based Modelica modeling language in Dymola. A typical office building model was considered as the case study. Simulations were run for two construction sets of the building envelope and two conditions related to inter-zone air flows. To calculate energy savings, a conventional four-pipe system was modelled and used formore » comparison. The conventional system presented two separated water loops for heating and cooling with supply temperatures of 45 °C and 14 °C, respectively. Simulation results showed that the two-pipe system was able to use less energy than the four-pipe system thanks to three effects: useful heat transfer from warm to cold zones, higher free cooling potential and higher efficiency of the heat pump. In particular, the two-pipe system used approximately between 12% and 18% less total annual primary energy than the four-pipe system, depending on the simulation case considered.« less

Energy saving potential of a two-pipe system for simultaneous heating and cooling of office buildings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maccarini, Alessandro; Wetter, Michael; Afshari, Alireza

This paper analyzes the performance of a novel two-pipe system that operates one water loop to simultaneously provide space heating and cooling with a water supply temperature of around 22 °C. To analyze the energy performance of the system, a simulation-based research was conducted. The two-pipe system was modelled using the equation-based Modelica modeling language in Dymola. A typical office building model was considered as the case study. Simulations were run for two construction sets of the building envelope and two conditions related to inter-zone air flows. To calculate energy savings, a conventional four-pipe system was modelled and used formore » comparison. The conventional system presented two separated water loops for heating and cooling with supply temperatures of 45 °C and 14 °C, respectively. Simulation results showed that the two-pipe system was able to use less energy than the four-pipe system thanks to three effects: useful heat transfer from warm to cold zones, higher free cooling potential and higher efficiency of the heat pump. In particular, the two-pipe system used approximately between 12% and 18% less total annual primary energy than the four-pipe system, depending on the simulation case considered.« less

Performance and Health Test Procedure for Grid Energy Storage Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baggu, Murali M; Smith, Kandler A; Friedl, Andrew

A test procedure to evaluate the performance and health of field installations of grid-connected battery energy storage systems (BESS) is described. Performance and health metrics captured in the procedures are: round-trip efficiency, standby losses, response time/accuracy, and useable energy/state of charge at different discharge/charge rates over the system's lifetime. The procedures are divided into reference performance tests, which require the system to be put in a test mode and are to be conducted in intervals, and real-time monitoring tests, which collect data during normal operation without interruption. The procedures can be applied on a wide array of BESS with littlemore » modification and can thus support BESS operators in the management of BESS field installations with minimal interruption and expenditure. Simulated results based on a detailed system simulation of a prototype system are provided as guideline.« less

Evaluation of total energy-rate feedback for glidescope tracking in wind shear

NASA Technical Reports Server (NTRS)

Belcastro, C. M.; Ostroff, A. J.

1986-01-01

Low-altitude wind shear is recognized as an infrequent but significant hazard to all aircraft during take-off and landing. A total energy-rate sensor, which is potentially applicable to this problem, has been developed for measuring specific total energy-rate of an airplane with respect to the air mass. This paper presents control system designs, with and without energy-rate feedback, for the approach to landing of a transport airplane through severe wind shear and gusts to evaluate application of this sensor. A system model is developed which incorporates wind shear dynamics equations with the airplance equations of motion, thus allowing the control systems to be analyzed under various wind shears. The control systems are designed using optimal output feedback and are analyzed using frequency domain control theory techniques. Control system performance is evaluated using a complete nonlinear simulation of the airplane and a severe wind shear and gust data package. The analysis and simulation results indicate very similar stability and performance characteristics for the two designs. An implementation technique for distributing the velocity gains between airspeed and ground speed in the simulation is also presented, and this technique is shown to improve the performance characteristics of both designs.

The atomic simulation environment-a Python library for working with atoms.

PubMed

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D; Jennings, Paul C; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W

2017-07-12

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple 'for-loop' construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

The atomic simulation environment—a Python library for working with atoms

NASA Astrophysics Data System (ADS)

Hjorth Larsen, Ask; Jørgen Mortensen, Jens; Blomqvist, Jakob; Castelli, Ivano E.; Christensen, Rune; Dułak, Marcin; Friis, Jesper; Groves, Michael N.; Hammer, Bjørk; Hargus, Cory; Hermes, Eric D.; Jennings, Paul C.; Bjerre Jensen, Peter; Kermode, James; Kitchin, John R.; Leonhard Kolsbjerg, Esben; Kubal, Joseph; Kaasbjerg, Kristen; Lysgaard, Steen; Bergmann Maronsson, Jón; Maxson, Tristan; Olsen, Thomas; Pastewka, Lars; Peterson, Andrew; Rostgaard, Carsten; Schiøtz, Jakob; Schütt, Ole; Strange, Mikkel; Thygesen, Kristian S.; Vegge, Tejs; Vilhelmsen, Lasse; Walter, Michael; Zeng, Zhenhua; Jacobsen, Karsten W.

2017-07-01

The atomic simulation environment (ASE) is a software package written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations. In ASE, tasks are fully scripted in Python. The powerful syntax of Python combined with the NumPy array library make it possible to perform very complex simulation tasks. For example, a sequence of calculations may be performed with the use of a simple ‘for-loop’ construction. Calculations of energy, forces, stresses and other quantities are performed through interfaces to many external electronic structure codes or force fields using a uniform interface. On top of this calculator interface, ASE provides modules for performing many standard simulation tasks such as structure optimization, molecular dynamics, handling of constraints and performing nudged elastic band calculations.

Effects of a Caffeine-Containing Energy Drink on Simulated Soccer Performance

PubMed Central

Del Coso, Juan; Muñoz-Fernández, Víctor E.; Muñoz, Gloria; Fernández-Elías, Valentín E.; Ortega, Juan F.; Hamouti, Nassim; Barbero, José C.; Muñoz-Guerra, Jesús

2012-01-01

Background To investigate the effects of a caffeine-containing energy drink on soccer performance during a simulated game. A second purpose was to assess the post-exercise urine caffeine concentration derived from the energy drink intake. Methodology/Principal Findings Nineteen semiprofessional soccer players ingested 630±52 mL of a commercially available energy drink (sugar-free Red Bull®) to provide 3 mg of caffeine per kg of body mass, or a decaffeinated control drink (0 mg/kg). After sixty minutes they performed a 15-s maximal jump test, a repeated sprint test (7×30 m; 30 s of active recovery) and played a simulated soccer game. Individual running distance and speed during the game were measured using global positioning satellite (GPS) devices. In comparison to the control drink, the ingestion of the energy drink increased mean jump height in the jump test (34.7±4.7 v 35.8±5.5 cm; P<0.05), mean running speed during the sprint test (25.6±2.1 v 26.3±1.8 km · h−1; P<0.05) and total distance covered at a speed higher than 13 km · h−1 during the game (1205±289 v 1436±326 m; P<0.05). In addition, the energy drink increased the number of sprints during the whole game (30±10 v 24±8; P<0.05). Post-exercise urine caffeine concentration was higher after the energy drink than after the control drink (4.1±1.0 v 0.1±0.1 µg · mL−1; P<0.05). Conclusions/significance A caffeine-containing energy drink in a dose equivalent to 3 mg/kg increased the ability to repeatedly sprint and the distance covered at high intensity during a simulated soccer game. In addition, the caffeinated energy drink increased jump height which may represent a meaningful improvement for headers or when players are competing for a ball. PMID:22348079

Effects of a caffeine-containing energy drink on simulated soccer performance.

PubMed

Del Coso, Juan; Muñoz-Fernández, Víctor E; Muñoz, Gloria; Fernández-Elías, Valentín E; Ortega, Juan F; Hamouti, Nassim; Barbero, José C; Muñoz-Guerra, Jesús

2012-01-01

To investigate the effects of a caffeine-containing energy drink on soccer performance during a simulated game. A second purpose was to assess the post-exercise urine caffeine concentration derived from the energy drink intake. Nineteen semiprofessional soccer players ingested 630 ± 52 mL of a commercially available energy drink (sugar-free Red Bull®) to provide 3 mg of caffeine per kg of body mass, or a decaffeinated control drink (0 mg/kg). After sixty minutes they performed a 15-s maximal jump test, a repeated sprint test (7 × 30 m; 30 s of active recovery) and played a simulated soccer game. Individual running distance and speed during the game were measured using global positioning satellite (GPS) devices. In comparison to the control drink, the ingestion of the energy drink increased mean jump height in the jump test (34.7 ± 4.7 v 35.8 ± 5.5 cm; P<0.05), mean running speed during the sprint test (25.6 ± 2.1 v 26.3 ± 1.8 km · h(-1); P<0.05) and total distance covered at a speed higher than 13 km · h(-1) during the game (1205 ± 289 v 1436 ± 326 m; P<0.05). In addition, the energy drink increased the number of sprints during the whole game (30 ± 10 v 24 ± 8; P<0.05). Post-exercise urine caffeine concentration was higher after the energy drink than after the control drink (4.1 ± 1.0 v 0.1 ± 0.1 µg · mL(-1); P<0.05). A caffeine-containing energy drink in a dose equivalent to 3 mg/kg increased the ability to repeatedly sprint and the distance covered at high intensity during a simulated soccer game. In addition, the caffeinated energy drink increased jump height which may represent a meaningful improvement for headers or when players are competing for a ball.

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.

Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC).

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schultz, Peter Andrew

The objective of the U.S. Department of Energy Office of Nuclear Energy Advanced Modeling and Simulation Waste Integrated Performance and Safety Codes (NEAMS Waste IPSC) is to provide an integrated suite of computational modeling and simulation (M&S) capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive-waste storage facility or disposal repository. Achieving the objective of modeling the performance of a disposal scenario requires describing processes involved in waste form degradation and radionuclide release at the subcontinuum scale, beginning with mechanistic descriptions of chemical reactions and chemical kinetics at the atomicmore » scale, and upscaling into effective, validated constitutive models for input to high-fidelity continuum scale codes for coupled multiphysics simulations of release and transport. Verification and validation (V&V) is required throughout the system to establish evidence-based metrics for the level of confidence in M&S codes and capabilities, including at the subcontiunuum scale and the constitutive models they inform or generate. This Report outlines the nature of the V&V challenge at the subcontinuum scale, an approach to incorporate V&V concepts into subcontinuum scale modeling and simulation (M&S), and a plan to incrementally incorporate effective V&V into subcontinuum scale M&S destined for use in the NEAMS Waste IPSC work flow to meet requirements of quantitative confidence in the constitutive models informed by subcontinuum scale phenomena.« less

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.

MCNP simulations of material exposure experiments (u)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Temple, Brian A

2010-12-08

Simulations of proposed material exposure experiments were performed using MCNP6. The experiments will expose ampules containing different materials of interest with radiation to observe the chemical breakdown of the materials. Simulations were performed to map out dose in materials as a function of distance from the source, dose variation between materials, dose variation due to ampule orientation, and dose variation due to different source energy. This write up is an overview of the simulations and will provide guidance on how to use the data in the spreadsheet.

Design and Simulation of Bistable Microsystem with Frequency-up conversion effect for Electrostatic Energy Harvesting

NASA Astrophysics Data System (ADS)

Vysotskyi, Bogdan; Parrain, Fabien; Lefeuvre, Elie; Leroux, Xavier; Aubry, Denis; Gaucher, Philippe

2016-10-01

This work is dedicated for the study of energy harvesters implemented in form of microelectromechanical systems (MEMS) used to harvest ambient vibrations for powering standalone electronic devices. The previewed application is to power a leadless pacemaker with mechanical energy of the heartbeat, which requires the amount of power typically more than 1μW. The target of the presented article is to combine the effect of bistability and nonlinear coupling by electrostatic effect in order to achieve the high value of bandwidth at the low frequency under the low accelerations. Such system is expected to bring high power density performance. This study is performed mostly by numerical simulation.

Validation of Accelerometer-Based Energy Expenditure Prediction Models in Structured and Simulated Free-Living Settings

ERIC Educational Resources Information Center

Montoye, Alexander H. K.; Conger, Scott A.; Connolly, Christopher P.; Imboden, Mary T.; Nelson, M. Benjamin; Bock, Josh M.; Kaminsky, Leonard A.

2017-01-01

This study compared accuracy of energy expenditure (EE) prediction models from accelerometer data collected in structured and simulated free-living settings. Twenty-four adults (mean age 45.8 years, 50% female) performed two sessions of 11 to 21 activities, wearing four ActiGraph GT9X Link activity monitors (right hip, ankle, both wrists) and a…

Grid connected integrated community energy system. Phase II: final state 2 report. Cost benefit analysis, operating costs and computer simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1978-03-22

A grid-connected Integrated Community Energy System (ICES) with a coal-burning power plant located on the University of Minnesota campus is planned. The cost benefit analysis performed for this ICES, the cost accounting methods used, and a computer simulation of the operation of the power plant are described. (LCL)

Building energy simulation coupled with CFD for indoor environment: A critical review and recent applications

DOE PAGES

Tian, Wei; Han, Xu; Zuo, Wangda; ...

2018-01-31

This paper presents a comprehensive review of the open literature on motivations, methods and applications of linking stratified airflow simulation to building energy simulation (BES). First, we reviewed the motivations for coupling prediction models for building energy and indoor environment. This review classified various exchanged data in different applications as interface data and state data, and found that choosing different data sets may lead to varying performance of stability, convergence, and speed for the co-simulation. Second, our review shows that an external coupling scheme is substantially more popular in implementations of co-simulation than an internal coupling scheme. The external couplingmore » is shown to be generally faster in computational speed, as well as easier to implement, maintain and expand than the internal coupling. Third, the external coupling can be carried out in different data synchronization schemes, including static coupling and dynamic coupling. In comparison, the static coupling that performs data exchange only once is computationally faster and more stable than the dynamic coupling. However, concerning accuracy, the dynamic coupling that requires multiple times of data exchange is more accurate than the static coupling. Furthermore, the review identified that the implementation of the external coupling can be achieved through customized interfaces, middleware, and standard interfaces. The customized interface is straightforward but may be limited to a specific coupling application. The middleware is versatile and user-friendly but usually limited in data synchronization schemes. The standard interface is versatile and promising, but may be difficult to implement. Current applications of the co-simulation are mainly energy performance evaluation and control studies. Finally, we discussed the limitations of the current research and provided an overview for future research.« less

Building energy simulation coupled with CFD for indoor environment: A critical review and recent applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tian, Wei; Han, Xu; Zuo, Wangda

This paper presents a comprehensive review of the open literature on motivations, methods and applications of linking stratified airflow simulation to building energy simulation (BES). First, we reviewed the motivations for coupling prediction models for building energy and indoor environment. This review classified various exchanged data in different applications as interface data and state data, and found that choosing different data sets may lead to varying performance of stability, convergence, and speed for the co-simulation. Second, our review shows that an external coupling scheme is substantially more popular in implementations of co-simulation than an internal coupling scheme. The external couplingmore » is shown to be generally faster in computational speed, as well as easier to implement, maintain and expand than the internal coupling. Third, the external coupling can be carried out in different data synchronization schemes, including static coupling and dynamic coupling. In comparison, the static coupling that performs data exchange only once is computationally faster and more stable than the dynamic coupling. However, concerning accuracy, the dynamic coupling that requires multiple times of data exchange is more accurate than the static coupling. Furthermore, the review identified that the implementation of the external coupling can be achieved through customized interfaces, middleware, and standard interfaces. The customized interface is straightforward but may be limited to a specific coupling application. The middleware is versatile and user-friendly but usually limited in data synchronization schemes. The standard interface is versatile and promising, but may be difficult to implement. Current applications of the co-simulation are mainly energy performance evaluation and control studies. Finally, we discussed the limitations of the current research and provided an overview for future research.« less

Relating a Jet-Surface Interaction Experiment to a Commercial Supersonic Transport Aircraft Using Numerical Simulations

NASA Technical Reports Server (NTRS)

Dippold, Vance F. III; Friedlander, David

2017-01-01

Reynolds-Averaged Navier-Stokes (RANS) simulations were performed for a commercial supersonic transport aircraft concept and experimental hardware models designed to represent the installed propulsion system of the conceptual aircraft in an upcoming test campaign. The purpose of the experiment is to determine the effects of jet-surface interactions from supersonic aircraft on airport community noise. RANS simulations of the commercial supersonic transport aircraft concept were performed to relate the representative experimental hardware to the actual aircraft. RANS screening simulations were performed on the proposed test hardware to verify that it would be free from potential rig noise and to predict the aerodynamic forces on the model hardware to assist with structural design. The simulations showed a large region of separated flow formed in a junction region of one of the experimental configurations. This was dissimilar with simulations of the aircraft and could invalidate the noise measurements. This configuration was modified and a subsequent RANS simulation showed that the size of the flow separation was greatly reduced. The aerodynamic forces found on the experimental models were found to be relatively small when compared to the expected loads from the model’s own weight.Reynolds-Averaged Navier-Stokes (RANS) simulations were completed for two configurations of a three-stream inverted velocity profile (IVP) nozzle and a baseline single-stream round nozzle (mixed-flow equivalent conditions). For the Sideline and Cutback flow conditions, while the IVP nozzles did not reduce the peak turbulent kinetic energy on the lower side of the jet plume, the IVP nozzles did significantly reduce the size of the region of peak turbulent kinetic energy when compared to the jet plume of the baseline nozzle cases. The IVP nozzle at Sideline conditions did suffer a region of separated flow from the inner stream nozzle splitter that did produce an intense, but small, region of turbulent kinetic energy in the vicinity of the nozzle exit. When viewed with the understanding that jet noise is directly related to turbulent kinetic energy, these IVP nozzle simulations show the potential to reduce noise to observers located below the nozzle. However, these RANS simulations also show that some modifications may be needed to prevent the small region of separated flow-induced turbulent kinetic energy from the inner stream nozzle splitter at Sideline conditions.

Mimicking coarse-grained simulations without coarse-graining: enhanced sampling by damping short-range interactions.

PubMed

Wei, Dongshan; Wang, Feng

2010-08-28

The damped-short-range-interaction (DSRI) method is proposed to mimic coarse-grained simulations by propagating an atomistic scale system on a smoothed potential energy surface. The DSRI method has the benefit of enhanced sampling provided by a typical coarse-grained simulation without the need to perform coarse-graining. Our method was used to simulate liquid water, alanine dipeptide folding, and the self-assembly of dimyristoylphosphatidylcholine lipid. In each case, our method appreciably accelerated the dynamics without significantly changing the free energy surface. Additional insights from DSRI simulations and the promise of coupling our DSRI method with Hamiltonian replica-exchange molecular dynamics are discussed.

Mimicking coarse-grained simulations without coarse-graining: Enhanced sampling by damping short-range interactions

NASA Astrophysics Data System (ADS)

Wei, Dongshan; Wang, Feng

2010-08-01

The damped-short-range-interaction (DSRI) method is proposed to mimic coarse-grained simulations by propagating an atomistic scale system on a smoothed potential energy surface. The DSRI method has the benefit of enhanced sampling provided by a typical coarse-grained simulation without the need to perform coarse-graining. Our method was used to simulate liquid water, alanine dipeptide folding, and the self-assembly of dimyristoylphosphatidylcholine lipid. In each case, our method appreciably accelerated the dynamics without significantly changing the free energy surface. Additional insights from DSRI simulations and the promise of coupling our DSRI method with Hamiltonian replica-exchange molecular dynamics are discussed.

Determination of the effects of water adsorption on the sensitivity and detonation performance of the explosive JOB-9003 by molecular dynamics simulation.

PubMed

Hang, GuiYun; Yu, WenLi; Wang, Tao; Li, Zhen

2016-11-01

In order to determine the adsorption mechanism of water on the crystal surfaces of the explosive JOB-9003 and the effect of this adsorption on the sensitivity and detonation performance of this explosive, a model of the crystal of JOB-9003 was created in the software package Materials Studio (MS). The adsorption process was simulated, and molecular dynamics simulation was performed with the COMPASS force field in the NPT ensemble to calculate the sensitivity and detonation performance of the explosive. The results show that the maximum trigger bond length decreases whereas the interaction energy of the trigger bond and the cohesive energy density increase after adsorption, indicating that the sensitivity of JOB-9003 decreases. The results for the detonation performance show that the detonation pressure, detonation velocity, and detonation heat decrease upon the adsorption of water, thus illustrating that the detonation performance of JOB-9003 is degraded. In summary, the adsorption of water has a positive effect on the sensitivity and safety of the explosive JOB-9003 but a negative effect on its detonation performance.

Loop propensity of the sequence YKGQP from staphylococcal nuclease: implications for the folding of nuclease.

PubMed

Patel, Sunita; Sasidhar, Yellamraju U

2007-10-01

Recently we performed molecular dynamics (MD) simulations on the folding of the hairpin peptide DTVKLMYKGQPMTFR from staphylococcal nuclease in explicit water. We found that the peptide folds into a hairpin conformation with native and nonnative hydrogen-bonding patterns. In all the folding events observed in the folding of the hairpin peptide, loop formation involving the region YKGQP was an important event. In order to trace the origins of the loop propensity of the sequence YKGQP, we performed MD simulations on the sequence starting from extended, polyproline II and native type I' turn conformations for a total simulation length of 300 ns, using the GROMOS96 force field under constant volume and temperature (NVT) conditions. The free-energy landscape of the peptide YKGQP shows minima corresponding to loop conformation with Tyr and Pro side-chain association, turn and extended conformational forms, with modest free-energy barriers separating the minima. To elucidate the role of Gly in facilitating loop formation, we also performed MD simulations of the mutated peptide YKAQP (Gly --> Ala mutation) under similar conditions starting from polyproline II conformation for 100 ns. Two minima corresponding to bend/turn and extended conformations were observed in the free-energy landscape for the peptide YKAQP. The free-energy barrier between the minima in the free-energy landscape of the peptide YKAQP was also modest. Loop conformation is largely sampled by the YKGQP peptide, while extended conformation is largely sampled by the YKAQP peptide. We also explain why the YKGQP sequence samples type II turn conformation in these simulations, whereas the sequence as part of the hairpin peptide DTVKLMYKGQPMTFR samples type I' turn conformation both in the X-ray crystal structure and in our earlier simulations on the folding of the hairpin peptide. We discuss the implications of our results to the folding of the staphylococcal nuclease. Copyright (c) 2007 European Peptide Society and John Wiley & Sons, Ltd.

Simulation of floor heating in a combined solar-biomass system integrated in a public bathhouse located in Marrakech

NASA Astrophysics Data System (ADS)

Krarouch, M.; Hamdi, H.; Lamghari, S.; Outzourhit, A.

2018-05-01

This study was conducted in the framework of the HYBRID-BATH project aiming at improving the energy efficiency of traditional Hammams (Turkish baths) and the reduction of the use of wood energy and therefore of greenhouse gases emissions. The present work focuses on the energetic performance of a two-room Hammam located in Marrakech. The rooms were heated by the ground using a hybrid system Micro-CSP/biomass boiler. The dynamic simulation of the system (Hammam coupled with the hybrid system Micro-CSP/biomass boiler) was conducted using TRNSYS18 software. The parametric study was performed on a Typical Meteorological Year data (TMY). This study is devoted to presenting the results of the dynamic simulation of a part of the Hammam investigated, in order to optimize the underfloor heating system. The models and the results of the simulations will be validated by comparisons with experimental results. The main objective is to optimize the operation of such system and to improve its performance.

Accurate Monitoring and Fault Detection in Wind Measuring Devices through Wireless Sensor Networks

PubMed Central

Khan, Komal Saifullah; Tariq, Muhammad

2014-01-01

Many wind energy projects report poor performance as low as 60% of the predicted performance. The reason for this is poor resource assessment and the use of new untested technologies and systems in remote locations. Predictions about the potential of an area for wind energy projects (through simulated models) may vary from the actual potential of the area. Hence, introducing accurate site assessment techniques will lead to accurate predictions of energy production from a particular area. We solve this problem by installing a Wireless Sensor Network (WSN) to periodically analyze the data from anemometers installed in that area. After comparative analysis of the acquired data, the anemometers transmit their readings through a WSN to the sink node for analysis. The sink node uses an iterative algorithm which sequentially detects any faulty anemometer and passes the details of the fault to the central system or main station. We apply the proposed technique in simulation as well as in practical implementation and study its accuracy by comparing the simulation results with experimental results to analyze the variation in the results obtained from both simulation model and implemented model. Simulation results show that the algorithm indicates faulty anemometers with high accuracy and low false alarm rate when as many as 25% of the anemometers become faulty. Experimental analysis shows that anemometers incorporating this solution are better assessed and performance level of implemented projects is increased above 86% of the simulated models. PMID:25421739

Simulation of high temperature thermal energy storage system based on coupled metal hydrides for solar driven steam power plants

DOE PAGES

d'Entremont, Anna; Corgnale, Claudio; Hardy, Bruce; ...

2018-01-11

Concentrating solar power plants can achieve low cost and efficient renewable electricity production if equipped with adequate thermal energy storage systems. Metal hydride based thermal energy storage systems are appealing candidates due to their demonstrated potential for very high volumetric energy densities, high exergetic efficiencies, and low costs. The feasibility and performance of a thermal energy storage system based on NaMgH 2F hydride paired with TiCr 1.6Mn 0.2 is examined, discussing its integration with a solar-driven ultra-supercritical steam power plant. The simulated storage system is based on a laboratory-scale experimental apparatus. It is analyzed using a detailed transport model accountingmore » for the thermochemical hydrogen absorption and desorption reactions, including kinetics expressions adequate for the current metal hydride system. The results show that the proposed metal hydride pair can suitably be integrated with a high temperature steam power plant. The thermal energy storage system achieves output energy densities of 226 kWh/m 3, 9 times the DOE SunShot target, with moderate temperature and pressure swings. Also, simulations indicate that there is significant scope for performance improvement via heat-transfer enhancement strategies.« less

Simulation of high temperature thermal energy storage system based on coupled metal hydrides for solar driven steam power plants

DOE Office of Scientific and Technical Information (OSTI.GOV)

d'Entremont, Anna; Corgnale, Claudio; Hardy, Bruce

Concentrating solar power plants can achieve low cost and efficient renewable electricity production if equipped with adequate thermal energy storage systems. Metal hydride based thermal energy storage systems are appealing candidates due to their demonstrated potential for very high volumetric energy densities, high exergetic efficiencies, and low costs. The feasibility and performance of a thermal energy storage system based on NaMgH 2F hydride paired with TiCr 1.6Mn 0.2 is examined, discussing its integration with a solar-driven ultra-supercritical steam power plant. The simulated storage system is based on a laboratory-scale experimental apparatus. It is analyzed using a detailed transport model accountingmore » for the thermochemical hydrogen absorption and desorption reactions, including kinetics expressions adequate for the current metal hydride system. The results show that the proposed metal hydride pair can suitably be integrated with a high temperature steam power plant. The thermal energy storage system achieves output energy densities of 226 kWh/m 3, 9 times the DOE SunShot target, with moderate temperature and pressure swings. Also, simulations indicate that there is significant scope for performance improvement via heat-transfer enhancement strategies.« less

Dynamic modeling and verification of an energy-efficient greenhouse with an aquaponic system using TRNSYS

NASA Astrophysics Data System (ADS)

Amin, Majdi Talal

Currently, there is no integrated dynamic simulation program for an energy efficient greenhouse coupled with an aquaponic system. This research is intended to promote the thermal management of greenhouses in order to provide sustainable food production with the lowest possible energy use and material waste. A brief introduction of greenhouses, passive houses, energy efficiency, renewable energy systems, and their applications are included for ready reference. An experimental working scaled-down energy-efficient greenhouse was built to verify and calibrate the results of a dynamic simulation model made using TRNSYS software. However, TRNSYS requires the aid of Google SketchUp to develop 3D building geometry. The simulation model was built following the passive house standard as closely as possible. The new simulation model was then utilized to design an actual greenhouse with Aquaponics. It was demonstrated that the passive house standard can be applied to improve upon conventional greenhouse performance, and that it is adaptable to different climates. The energy-efficient greenhouse provides the required thermal environment for fish and plant growth, while eliminating the need for conventional cooling and heating systems.

Parametric Study of Decay of Homogeneous Isotropic Turbulence Using Large Eddy Simulation

NASA Technical Reports Server (NTRS)

Swanson, R. C.; Rumsey, Christopher L.; Rubinstein, Robert; Balakumar, Ponnampalam; Zang, Thomas A.

2012-01-01

Numerical simulations of decaying homogeneous isotropic turbulence are performed with both low-order and high-order spatial discretization schemes. The turbulent Mach and Reynolds numbers for the simulations are 0.2 and 250, respectively. For the low-order schemes we use either second-order central or third-order upwind biased differencing. For higher order approximations we apply weighted essentially non-oscillatory (WENO) schemes, both with linear and nonlinear weights. There are two objectives in this preliminary effort to investigate possible schemes for large eddy simulation (LES). One is to explore the capability of a widely used low-order computational fluid dynamics (CFD) code to perform LES computations. The other is to determine the effect of higher order accuracy (fifth, seventh, and ninth order) achieved with high-order upwind biased WENO-based schemes. Turbulence statistics, such as kinetic energy, dissipation, and skewness, along with the energy spectra from simulations of the decaying turbulence problem are used to assess and compare the various numerical schemes. In addition, results from the best performing schemes are compared with those from a spectral scheme. The effects of grid density, ranging from 32 cubed to 192 cubed, on the computations are also examined. The fifth-order WENO-based scheme is found to be too dissipative, especially on the coarser grids. However, with the seventh-order and ninth-order WENO-based schemes we observe a significant improvement in accuracy relative to the lower order LES schemes, as revealed by the computed peak in the energy dissipation and by the energy spectrum.

Dependence of solid-liquid interface free energy on liquid structure

NASA Astrophysics Data System (ADS)

Wilson, S. R.; Mendelev, M. I.

2014-09-01

The Turnbull relation is widely believed to enable prediction of solid-liquid interface (SLI) free energies from measurements of the latent heat and the solid density. Ewing proposed an additional contribution to the SLI free energy to account for variations in liquid structure near the interface. In the present study, molecular dynamics (MD) simulations were performed to investigate whether SLI free energy depends on liquid structure. Analysis of the MD simulation data for 11 fcc metals demonstrated that the Turnbull relation is only a rough approximation for highly ordered liquids, whereas much better agreement is observed with Ewing's theory. A modification to Ewing's relation is proposed in this study that was found to provide excellent agreement with MD simulation data.

Prediction of 4H-SiC betavoltaic microbattery characteristics based on practical Ni-63 sources.

PubMed

Gui, Gui; Zhang, Kan; Blanchard, James P; Ma, Zhenqiang

2016-01-01

We have investigated the performance of 4H-SiC betavoltaic microbatteries under exposure to the practical Ni-63 sources using the Monte Carlo method and Synopsys® Medici device simulator. A typical planar p-n junction betavoltaic device with the Ni-63 source of 20% purity on top is modeled in the simulation. The p-n junction structure includes a p+ layer, a p- layer, an n+ layer, and an n- layer. In order to obtain an accurate and valid predication, our simulations consider several practical factors, including isotope impurities, self-absorption, and full beta energy spectra. By simulating the effects of both the p-n junction configuration and the isotope source thickness on the battery output performance, we have achieved the optimal design of the device and maximum energy conversion efficiency. Our simulation results show that the energy conversion efficiency increases as the doping concentration and thickness of the p- layer increase, whereas it is independent of the total depth of the p-n junction. Furthermore, the energy conversion efficiency decreases as the thickness of the practical Ni-63 source increases, because of self-absorption in the isotope source. Therefore, we propose that a p-n junction betavoltaic cell with a thicker and heavily doped p- layer under exposure to a practical Ni-63 source with an appreciable thickness could produce the optimal energy conversion efficiency. Copyright © 2015 Elsevier Ltd. All rights reserved.

Optimization for energy efficiency of underground building envelope thermal performance in different climate zones of China

NASA Astrophysics Data System (ADS)

Shi, Luyang; Liu, Jing; Zhang, Huibo

2017-11-01

The object of this article is to investigate the influence of thermal performance of envelopes in shallow-buried buildings on energy consumption for different climate zones of China. For the purpose of this study, an effective building energy simulation tool (DeST) developed by Tsinghua University was chosen to model the heat transfer in underground buildings. Based on the simulative results, energy consumption for heating and cooling for the whole year was obtained. The results showed that the relationship between energy consumption and U-value of envelopes for underground buildings is different compared with above-ground buildings: improving thermal performance of exterior walls cannot reduce energy consumption, on the contrary, may result in more energy cost. Besides, it is can be derived that optimized U-values of underground building envelopes vary with climate zones of China in this study. For severe cold climate zone, the optimized U-value of underground building envelopes is 0.8W/(m2·K); for cold climate zone, the optimized U-value is 1.5W/(m2·K); for warm climate zone, the U-value is 2.0W/(m2·K).

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE PAGES

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James; ...

2017-09-21

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Multi-mode evaluation of power-maximizing cross-flow turbine controllers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forbush, Dominic; Cavagnaro, Robert J.; Donegan, James

A general method for predicting and evaluating the performance of three candidate cross-flow turbine power-maximizing controllers is presented in this paper using low-order dynamic simulation, scaled laboratory experiments, and full-scale field testing. For each testing mode and candidate controller, performance metrics quantifying energy capture (ability of a controller to maximize power), variation in torque and rotation rate (related to drive train fatigue), and variation in thrust loads (related to structural fatigue) are quantified for two purposes. First, for metrics that could be evaluated across all testing modes, we considered the accuracy with which simulation or laboratory experiments could predict performancemore » at full scale. Second, we explored the utility of these metrics to contrast candidate controller performance. For these turbines and set of candidate controllers, energy capture was found to only differentiate controller performance in simulation, while the other explored metrics were able to predict performance of the full-scale turbine in the field with various degrees of success. Finally, effects of scale between laboratory and full-scale testing are considered, along with recommendations for future improvements to dynamic simulations and controller evaluation.« less

Reducing EnergyPlus Run Time For Code Compliance Tools

DOE Office of Scientific and Technical Information (OSTI.GOV)

Athalye, Rahul A.; Gowri, Krishnan; Schultz, Robert W.

2014-09-12

Integration of the EnergyPlus ™ simulation engine into performance-based code compliance software raises a concern about simulation run time, which impacts timely feedback of compliance results to the user. EnergyPlus annual simulations for proposed and code baseline building models, and mechanical equipment sizing result in simulation run times beyond acceptable limits. This paper presents a study that compares the results of a shortened simulation time period using 4 weeks of hourly weather data (one per quarter), to an annual simulation using full 52 weeks of hourly weather data. Three representative building types based on DOE Prototype Building Models and threemore » climate zones were used for determining the validity of using a shortened simulation run period. Further sensitivity analysis and run time comparisons were made to evaluate the robustness and run time savings of using this approach. The results of this analysis show that the shortened simulation run period provides compliance index calculations within 1% of those predicted using annual simulation results, and typically saves about 75% of simulation run time.« less

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.

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.

Load Balancing Integrated Least Slack Time-Based Appliance Scheduling for Smart Home Energy Management.

PubMed

Silva, Bhagya Nathali; Khan, Murad; Han, Kijun

2018-02-25

The emergence of smart devices and smart appliances has highly favored the realization of the smart home concept. Modern smart home systems handle a wide range of user requirements. Energy management and energy conservation are in the spotlight when deploying sophisticated smart homes. However, the performance of energy management systems is highly influenced by user behaviors and adopted energy management approaches. Appliance scheduling is widely accepted as an effective mechanism to manage domestic energy consumption. Hence, we propose a smart home energy management system that reduces unnecessary energy consumption by integrating an automated switching off system with load balancing and appliance scheduling algorithm. The load balancing scheme acts according to defined constraints such that the cumulative energy consumption of the household is managed below the defined maximum threshold. The scheduling of appliances adheres to the least slack time (LST) algorithm while considering user comfort during scheduling. The performance of the proposed scheme has been evaluated against an existing energy management scheme through computer simulation. The simulation results have revealed a significant improvement gained through the proposed LST-based energy management scheme in terms of cost of energy, along with reduced domestic energy consumption facilitated by an automated switching off mechanism.

Power and energy computational models for the design and simulation of hybrid-electric combat vehicles

NASA Astrophysics Data System (ADS)

Smith, Wilford; Nunez, Patrick

2005-05-01

This paper describes the work being performed under the RDECOM Power and Energy (P&E) program (formerly the Combat Hybrid Power System (CHPS) program) developing hybrid power system models and integrating them into larger simulations, such as OneSAF, that can be used to find duty cycles to feed designers of hybrid power systems. This paper also describes efforts underway to link the TARDEC P&E System Integration Lab (SIL) in San Jose CA to the TARDEC Ground Vehicle Simulation Lab (GVSL) in Warren, MI. This linkage is being performed to provide a methodology for generating detailed driver profiles for use in the development of vignettes and mission profiles for system design excursions.

Enhanced Sampling in Free Energy Calculations: Combining SGLD with the Bennett's Acceptance Ratio and Enveloping Distribution Sampling Methods.

PubMed

König, Gerhard; Miller, Benjamin T; Boresch, Stefan; Wu, Xiongwu; Brooks, Bernard R

2012-10-09

One of the key requirements for the accurate calculation of free energy differences is proper sampling of conformational space. Especially in biological applications, molecular dynamics simulations are often confronted with rugged energy surfaces and high energy barriers, leading to insufficient sampling and, in turn, poor convergence of the free energy results. In this work, we address this problem by employing enhanced sampling methods. We explore the possibility of using self-guided Langevin dynamics (SGLD) to speed up the exploration process in free energy simulations. To obtain improved free energy differences from such simulations, it is necessary to account for the effects of the bias due to the guiding forces. We demonstrate how this can be accomplished for the Bennett's acceptance ratio (BAR) and the enveloping distribution sampling (EDS) methods. While BAR is considered among the most efficient methods available for free energy calculations, the EDS method developed by Christ and van Gunsteren is a promising development that reduces the computational costs of free energy calculations by simulating a single reference state. To evaluate the accuracy of both approaches in connection with enhanced sampling, EDS was implemented in CHARMM. For testing, we employ benchmark systems with analytical reference results and the mutation of alanine to serine. We find that SGLD with reweighting can provide accurate results for BAR and EDS where conventional molecular dynamics simulations fail. In addition, we compare the performance of EDS with other free energy methods. We briefly discuss the implications of our results and provide practical guidelines for conducting free energy simulations with SGLD.

GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platforms.

PubMed

Kobayashi, Chigusa; Jung, Jaewoon; Matsunaga, Yasuhiro; Mori, Takaharu; Ando, Tadashi; Tamura, Koichi; Kamiya, Motoshi; Sugita, Yuji

2017-09-30

GENeralized-Ensemble SImulation System (GENESIS) is a software package for molecular dynamics (MD) simulation of biological systems. It is designed to extend limitations in system size and accessible time scale by adopting highly parallelized schemes and enhanced conformational sampling algorithms. In this new version, GENESIS 1.1, new functions and advanced algorithms have been added. The all-atom and coarse-grained potential energy functions used in AMBER and GROMACS packages now become available in addition to CHARMM energy functions. The performance of MD simulations has been greatly improved by further optimization, multiple time-step integration, and hybrid (CPU + GPU) computing. The string method and replica-exchange umbrella sampling with flexible collective variable choice are used for finding the minimum free-energy pathway and obtaining free-energy profiles for conformational changes of a macromolecule. These new features increase the usefulness and power of GENESIS for modeling and simulation in biological research. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Accuracy of existing atomic potentials for the CdTe semiconductor compound

NASA Astrophysics Data System (ADS)

Ward, D. K.; Zhou, X. W.; Wong, B. M.; Doty, F. P.; Zimmerman, J. A.

2011-06-01

CdTe and CdTe-based Cd1-xZnxTe (CZT) alloys are important semiconductor compounds that are used in a variety of technologies including solar cells, radiation detectors, and medical imaging devices. Performance of such systems, however, is limited due to the propensity of nano- and micro-scale defects that form during crystal growth and manufacturing processes. Molecular dynamics simulations offer an effective approach to study the formation and interaction of atomic scale defects in these crystals, and provide insight on how to minimize their concentrations. The success of such a modeling effort relies on the accuracy and transferability of the underlying interatomic potential used in simulations. Such a potential must not only predict a correct trend of structures and energies of a variety of elemental and compound lattices, defects, and surfaces but also capture correct melting behavior and should be capable of simulating crystalline growth during vapor deposition as these processes sample a variety of local configurations. In this paper, we perform a detailed evaluation of the performance of two literature potentials for CdTe, one having the Stillinger-Weber form and the other possessing the Tersoff form. We examine simulations of structures and the corresponding energies of a variety of elemental and compound lattices, defects, and surfaces compared to those obtained from ab initio calculations and experiments. We also perform melting temperature calculations and vapor deposition simulations. Our calculations show that the Stillinger-Weber parameterization produces the correct lowest energy structure. This potential, however, is not sufficiently transferrable for defect studies. Origins of the problems of these potentials are discussed and insights leading to the development of a more transferrable potential suitable for molecular dynamics simulations of defects in CdTe crystals are provided.

Simulation of a Flywheel Electrical System for Aerospace Applications

NASA Technical Reports Server (NTRS)

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

2000-01-01

A Flywheel Energy Storage Demonstration Project was initiated at the NASA Glenn Research Center as a possible replacement for the battery energy storage system on the International Space Station (ISS). While the hardware fabrication work was being performed at a university and contractor's facility, the related simulation activity was begun at Glenn. At the top level, Glenn researchers simulated the operation of the ISS primary electrical system (as described in another paper) with the Flywheel Energy Storage Unit (FESU) replacing one Battery Charge and Discharge Unit (BCDU). The FESU consists of a Permanent Magnet Synchronous Motor/Generator (PMSM), which is connected to the flywheel; the power electronics that connects the PMSM to the ISS direct-current bus; and the associated controller. The PMSM model is still under development, but this paper describes the rest of the FESU model-the simulation of the converter and the associated control system that regulates energy transfer to and from the flywheel.

Advanced computational simulations of water waves interacting with wave energy converters

NASA Astrophysics Data System (ADS)

Pathak, Ashish; Freniere, Cole; Raessi, Mehdi

2017-03-01

Wave energy converter (WEC) devices harness the renewable ocean wave energy and convert it into useful forms of energy, e.g. mechanical or electrical. This paper presents an advanced 3D computational framework to study the interaction between water waves and WEC devices. The computational tool solves the full Navier-Stokes equations and considers all important effects impacting the device performance. To enable large-scale simulations in fast turnaround times, the computational solver was developed in an MPI parallel framework. A fast multigrid preconditioned solver is introduced to solve the computationally expensive pressure Poisson equation. The computational solver was applied to two surface-piercing WEC geometries: bottom-hinged cylinder and flap. Their numerically simulated response was validated against experimental data. Additional simulations were conducted to investigate the applicability of Froude scaling in predicting full-scale WEC response from the model experiments.

Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded Interactions.

PubMed

Paliwal, Himanshu; Shirts, Michael R

2013-11-12

Multistate reweighting methods such as the multistate Bennett acceptance ratio (MBAR) can predict free energies and expectation values of thermodynamic observables at poorly sampled or unsampled thermodynamic states using simulations performed at only a few sampled states combined with single point energy reevaluations of these samples at the unsampled states. In this study, we demonstrate the power of this general reweighting formalism by exploring the effect of simulation parameters controlling Coulomb and Lennard-Jones cutoffs on free energy calculations and other observables. Using multistate reweighting, we can quickly identify, with very high sensitivity, the computationally least expensive nonbonded parameters required to obtain a specified accuracy in observables compared to the answer obtained using an expensive "gold standard" set of parameters. We specifically examine free energy estimates of three molecular transformations in a benchmark molecular set as well as the enthalpy of vaporization of TIP3P. The results demonstrates the power of this multistate reweighting approach for measuring changes in free energy differences or other estimators with respect to simulation or model parameters with very high precision and/or very low computational effort. The results also help to identify which simulation parameters affect free energy calculations and provide guidance to determine which simulation parameters are both appropriate and computationally efficient in general.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 workmore » with Army demonstrates the capability to measure performance which includes energy constraint.« less

Evaluation of Rankine cycle air conditioning system hardware by computer simulation

NASA Technical Reports Server (NTRS)

Healey, H. M.; Clark, D.

1978-01-01

A computer program for simulating the performance of a variety of solar powered Rankine cycle air conditioning system components (RCACS) has been developed. The computer program models actual equipment by developing performance maps from manufacturers data and is capable of simulating off-design operation of the RCACS components. The program designed to be a subroutine of the Marshall Space Flight Center (MSFC) Solar Energy System Analysis Computer Program 'SOLRAD', is a complete package suitable for use by an occasional computer user in developing performance maps of heating, ventilation and air conditioning components.

Comment to: "Martini straight: Boosting performance using a shorter cutoff and GPUs" by D.H. de Jong, S. Baoukina, H.I. Ingólfsson, and S.J. Marrink

NASA Astrophysics Data System (ADS)

Benedetti, Florian; Loison, Claire

2018-07-01

In a recent study published in this journal, de Jong et al. investigated the efficiency improvement reached thanks to new parameter sets for molecular dynamics simulations using the coarse-grained Martini force-field and its implementation in the Gromacs simulation package (de Jong et al., 2016). The advantages of the new sets are the computational efficiency and the conservation of the equilibrium properties of the Martini model. This article reports additional tests on the total energy conservation for zwitterionic lipid bilayer membranes. The results show that the conclusion by de Jong et al. on the total energy conservation of the new parameter sets, based on short simulations and homogeneous systems, is not generalizable to long lipid bilayer simulations. The energy conservation of the three parameter sets compared in their article (common, new and new-RF) differ if one analyzes sufficiently long trajectories or if one measures the total energy drifts. In practice, when total energy conservation is important for a Martini lipid bilayer simulation, we would consider either keeping the common set, or carefully testing the new-RF set for energy leaks or sources before production use.

Simulations of neutron transport at low energy: a comparison between GEANT and MCNP.

PubMed

Colonna, N; Altieri, S

2002-06-01

The use of the simulation tool GEANT for neutron transport at energies below 20 MeV is discussed, in particular with regard to shielding and dose calculations. The reliability of the GEANT/MICAP package for neutron transport in a wide energy range has been verified by comparing the results of simulations performed with this package in a wide energy range with the prediction of MCNP-4B, a code commonly used for neutron transport at low energy. A reasonable agreement between the results of the two codes is found for the neutron flux through a slab of material (iron and ordinary concrete), as well as for the dose released in soft tissue by neutrons. These results justify the use of the GEANT/MICAP code for neutron transport in a wide range of applications, including health physics problems.

Galactic cosmic ray simulation at the NASA Space Radiation Laboratory

PubMed Central

Norbury, John W.; Schimmerling, Walter; Slaba, Tony C.; Azzam, Edouard I.; Badavi, Francis F.; Baiocco, Giorgio; Benton, Eric; Bindi, Veronica; Blakely, Eleanor A.; Blattnig, Steve R.; Boothman, David A.; Borak, Thomas B.; Britten, Richard A.; Curtis, Stan; Dingfelder, Michael; Durante, Marco; Dynan, William S.; Eisch, Amelia J.; Elgart, S. Robin; Goodhead, Dudley T.; Guida, Peter M.; Heilbronn, Lawrence H.; Hellweg, Christine E.; Huff, Janice L.; Kronenberg, Amy; La Tessa, Chiara; Lowenstein, Derek I.; Miller, Jack; Morita, Takashi; Narici, Livio; Nelson, Gregory A.; Norman, Ryan B.; Ottolenghi, Andrea; Patel, Zarana S.; Reitz, Guenther; Rusek, Adam; Schreurs, Ann-Sofie; Scott-Carnell, Lisa A.; Semones, Edward; Shay, Jerry W.; Shurshakov, Vyacheslav A.; Sihver, Lembit; Simonsen, Lisa C.; Story, Michael D.; Turker, Mitchell S.; Uchihori, Yukio; Williams, Jacqueline; Zeitlin, Cary J.

2017-01-01

Most accelerator-based space radiation experiments have been performed with single ion beams at fixed energies. However, the space radiation environment consists of a wide variety of ion species with a continuous range of energies. Due to recent developments in beam switching technology implemented at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL), it is now possible to rapidly switch ion species and energies, allowing for the possibility to more realistically simulate the actual radiation environment found in space. The present paper discusses a variety of issues related to implementation of galactic cosmic ray (GCR) simulation at NSRL, especially for experiments in radiobiology. Advantages and disadvantages of different approaches to developing a GCR simulator are presented. In addition, issues common to both GCR simulation and single beam experiments are compared to issues unique to GCR simulation studies. A set of conclusions is presented as well as a discussion of the technical implementation of GCR simulation. PMID:26948012

Galactic cosmic ray simulation at the NASA Space Radiation Laboratory.

PubMed

Norbury, John W; Schimmerling, Walter; Slaba, Tony C; Azzam, Edouard I; Badavi, Francis F; Baiocco, Giorgio; Benton, Eric; Bindi, Veronica; Blakely, Eleanor A; Blattnig, Steve R; Boothman, David A; Borak, Thomas B; Britten, Richard A; Curtis, Stan; Dingfelder, Michael; Durante, Marco; Dynan, William S; Eisch, Amelia J; Robin Elgart, S; Goodhead, Dudley T; Guida, Peter M; Heilbronn, Lawrence H; Hellweg, Christine E; Huff, Janice L; Kronenberg, Amy; La Tessa, Chiara; Lowenstein, Derek I; Miller, Jack; Morita, Takashi; Narici, Livio; Nelson, Gregory A; Norman, Ryan B; Ottolenghi, Andrea; Patel, Zarana S; Reitz, Guenther; Rusek, Adam; Schreurs, Ann-Sofie; Scott-Carnell, Lisa A; Semones, Edward; Shay, Jerry W; Shurshakov, Vyacheslav A; Sihver, Lembit; Simonsen, Lisa C; Story, Michael D; Turker, Mitchell S; Uchihori, Yukio; Williams, Jacqueline; Zeitlin, Cary J

2016-02-01

Most accelerator-based space radiation experiments have been performed with single ion beams at fixed energies. However, the space radiation environment consists of a wide variety of ion species with a continuous range of energies. Due to recent developments in beam switching technology implemented at the NASA Space Radiation Laboratory (NSRL) at Brookhaven National Laboratory (BNL), it is now possible to rapidly switch ion species and energies, allowing for the possibility to more realistically simulate the actual radiation environment found in space. The present paper discusses a variety of issues related to implementation of galactic cosmic ray (GCR) simulation at NSRL, especially for experiments in radiobiology. Advantages and disadvantages of different approaches to developing a GCR simulator are presented. In addition, issues common to both GCR simulation and single beam experiments are compared to issues unique to GCR simulation studies. A set of conclusions is presented as well as a discussion of the technical implementation of GCR simulation. Published by Elsevier Ltd.

Computational modeling of pitching cylinder-type ocean wave energy converters using 3D MPI-parallel simulations

NASA Astrophysics Data System (ADS)

Freniere, Cole; Pathak, Ashish; Raessi, Mehdi

2016-11-01

Ocean Wave Energy Converters (WECs) are devices that convert energy from ocean waves into electricity. To aid in the design of WECs, an advanced computational framework has been developed which has advantages over conventional methods. The computational framework simulates the performance of WECs in a virtual wave tank by solving the full Navier-Stokes equations in 3D, capturing the fluid-structure interaction, nonlinear and viscous effects. In this work, we present simulations of the performance of pitching cylinder-type WECs and compare against experimental data. WECs are simulated at both model and full scales. The results are used to determine the role of the Keulegan-Carpenter (KC) number. The KC number is representative of viscous drag behavior on a bluff body in an oscillating flow, and is considered an important indicator of the dynamics of a WEC. Studying the effects of the KC number is important for determining the validity of the Froude scaling and the inviscid potential flow theory, which are heavily relied on in the conventional approaches to modeling WECs. Support from the National Science Foundation is gratefully acknowledged.

Theoretical insights into effects of molar ratios on stabilities, mechanical properties and detonation performance of CL-20/RDX cocrystal explosives by molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Hang, Gui-yun; Yu, Wen-li; Wang, Tao; Wang, Jin-tao; Li, Zhen

2017-08-01

The CL-20/RDX cocrystal models with different molar ratios were established by substitution method and molecular dynamics (MD) simulation method was applied to investigate the influences of molar ratios on mechanical properties, stabilities and detonation performance of cocrystal explosives. The crystal parameters, structures, binding energies, mechanical properties and some detonation parameters of different cocrystal explosives were got and compared. The results illustrate that the molar ratio has a direct influence on properties of cocrystal explosive and each of the cocrystal model holds different mechanical properties, binding energies and detonation parameters. The mechanical properties of CL-20/RDX cocrystal explosive can be effectively improved and the cocrystal model with molar ratio in 1:1 has the best mechanical properties. Besides, it has the highest binding energy, so the stability and compatibility is the best. The detonation parameters show that the cocrystal explosive has better detonation performance than RDX. In a word, the cocrystal explosive with molar ratio in 1:1 has the best mechanical properties, highest binding energy and excellent energy density and detonation performance, it is quite promising and can satisfy the requirements of high energy density compounds (HEDC). This paper could offer some theoretical instructions and novel insights for the CL-20 cocrystal explosive designing.

Guided wave energy trapping to detect hidden multilayer delamination damage

NASA Astrophysics Data System (ADS)

Leckey, Cara A. C.; Seebo, Jeffrey P.

2015-03-01

Nondestructive Evaluation (NDE) and Structural Health Monitoring (SHM) simulation tools capable of modeling three-dimensional (3D) realistic energy-damage interactions are needed for aerospace composites. Current practice in NDE/SHM simulation for composites commonly involves over-simplification of the material parameters and/or a simplified two-dimensional (2D) approach. The unique damage types that occur in composite materials (delamination, microcracking, etc) develop as complex 3D geometry features. This paper discusses the application of 3D custom ultrasonic simulation tools to study wave interaction with multilayer delamination damage in carbon-fiber reinforced polymer (CFRP) composites. In particular, simulation based studies of ultrasonic guided wave energy trapping due to multilayer delamination damage were performed. The simulation results show changes in energy trapping at the composite surface as additional delaminations are added through the composite thickness. The results demonstrate a potential approach for identifying the presence of hidden multilayer delamination damage in applications where only single-sided access to a component is available. The paper also describes recent advancements in optimizing the custom ultrasonic simulation code for increases in computation speed.

User-Oriented Modeling Tools for Advanced Hybrid and Climate-Appropriate Rooftop Air Conditioners

DOE Office of Scientific and Technical Information (OSTI.GOV)

Woolley, Jonathan; Univ. of California, Davis, CA; Modera, Mark

Hybrid unitary air conditioning systems offer a pathway to substantially reduce energy use and peak electrical demand for cooling, heating, and ventilation in commercial buildings. Hybrid air conditioners incorporate multiple subsystems that are carefully orchestrated to provide climate- and application-specific efficiency advantages. There are a multitude of hybrid system architectures, but common subsystems include: heat recovery ventilation, indirect evaporative cooling, desiccant dehumidification, variable speed fans, modulating dampers, and multi-stage or variable-speed vapor compression cooling. Categorically, hybrid systems can operate in numerous discrete modes. For example: indirect evaporative cooling may operate for periods when the subsystem provides adequate sensible cooling, thenmore » vapor compression cooling will be included when more cooling or dehumidification is necessary. Laboratory assessments, field studies, and simulations have demonstrated that hybrid unitary air conditioners could reduce energy use for cooling and ventilation by 30-90% depending on climate and application. Heretofore, it has been challenging - if not impossible - for practitioners to model hybrid air conditioners as part of building energy simulations; and the limitation has severely obstructed broader adoption of technologies in this class. In this project, we developed a new feature for EnergyPlus that enables modeling hybrid unitary air conditioning equipment for building energy simulations. This is a significant advancement for both theory and practice, and confers public benefit by enabling practitioners to evaluate this compelling efficiency technology as a part of building energy simulations. The feature is a black-box model that requires extensive performance data for each hybrid unitary product. In parallel, we also developed new features for the Technology Performance Exchange to enable manufacturers to submit performance data in a standard format that can be used with the hybrid unitary model in EnergyPlus. Additionally, through this project we expanded university educational resources, and university- manufacturing industry collaborations in the field of energy efficiency technology. Over two years, we involved 20 undergraduate students in ambitious research projects focused on modeling complex multi-mode mechanical systems, supported three mechanical engineering bachelor theses, established undergraduate apprenticeships with multiple industry partners, and involved those partners in the process of design, validation, and debugging for the new EnergyPlus feature. The EnergyPlus feature is described and discussed in an academic article, as well as in an engineering reference, and input/output reference documentation for EnergyPlus. The Technology Performance Exchange features are live and publicly accessible, our manufacturer partners are primed to submit initial product information and performance data to the exchange, and the EnergyPlus feature is scheduled for public release in Spring 2018 as a part of EnergyPlus v8.9.« less

Ten questions concerning occupant behavior in buildings: The big picture

DOE PAGES

Hong, Tianzhen; Yan, Da; D'Oca, Simona; ...

2016-12-27

Occupant behavior has significant impacts on building energy performance and occupant comfort. However, occupant behavior is not well understood and is often oversimplified in the building life cycle, due to its stochastic, diverse, complex, and interdisciplinary nature. The use of simplified methods or tools to quantify the impacts of occupant behavior in building performance simulations significantly contributes to performance gaps between simulated models and actual building energy consumption. Therefore, it is crucial to understand occupant behavior in a comprehensive way, integrating qualitative approaches and data- and model-driven quantitative approaches, and employing appropriate tools to guide the design and operation ofmore » low-energy residential and commercial buildings that integrate technological and human dimensions. This paper presents ten questions, highlighting some of the most important issues regarding concepts, applications, and methodologies in occupant behavior research. The proposed questions and answers aim to provide insights into occupant behavior for current and future researchers, designers, and policy makers, and most importantly, to inspire innovative research and applications to increase energy efficiency and reduce energy use in buildings.« less

Testing and simulation of silicon photomultiplier readouts for scintillators in high-energy astronomy and solar physics

NASA Astrophysics Data System (ADS)

Bloser, P. F.; Legere, J. S.; Bancroft, C. M.; Jablonski, L. F.; Wurtz, J. R.; Ertley, C. D.; McConnell, M. L.; Ryan, J. M.

2014-11-01

Space-based gamma-ray detectors for high-energy astronomy and solar physics face severe constraints on mass, volume, and power, and must endure harsh launch conditions and operating environments. Historically, such instruments have usually been based on scintillator materials due to their relatively low cost, inherent ruggedness, high stopping power, and radiation hardness. New scintillator materials, such as LaBr3:Ce, feature improved energy and timing performance, making them attractive for future astronomy and solar physics space missions in an era of tightly constrained budgets. Despite this promise, the use of scintillators in space remains constrained by the volume, mass, power, and fragility of the associated light readout device, typically a vacuum photomultiplier tube (PMT). In recent years, silicon photomultipliers (SiPMs) have emerged as promising alternative light readout devices that offer gains and quantum efficiencies similar to those of PMTs, but with greatly reduced mass and volume, high ruggedness, low voltage requirements, and no sensitivity to magnetic fields. In order for SiPMs to replace PMTs in space-based instruments, however, it must be shown that they can provide comparable performance, and that their inherent temperature sensitivity can be corrected for. To this end, we have performed extensive testing and modeling of a small gamma-ray spectrometer composed of a 6 mm×6 mm SiPM coupled to a 6 mm×6 mm ×10 mm LaBr3:Ce crystal. A custom readout board monitors the temperature and adjusts the bias voltage to compensate for gain variations. We record an energy resolution of 5.7% (FWHM) at 662 keV at room temperature. We have also performed simulations of the scintillation process and optical light collection using Geant4, and of the SiPM response using the GosSiP package. The simulated energy resolution is in good agreement with the data from 22 keV to 662 keV. Above ~1 MeV, however, the measured energy resolution is systematically worse than the simulations. This discrepancy is likely due to the high input impedance of the readout board front-end electronics, which introduces a non-linear saturation effect in the SiPM for large light pulses. Analysis of the simulations indicates several additional steps that must be taken to optimize the energy resolution of SiPM-based scintillator detectors.

Energy Impacts of Oversized Residential Air Conditioners -- Simulation Study of Retrofit Sequence Impacts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Booten, C.; Christensen, C.; Winkler, J.

2014-11-01

This research addresses the question of what are the energy consequences for oversizing of an air conditioner in a home. Conventional wisdom holds that oversizing the AC results in significant energy penalties. However, the reason for this was shown to be due to crankcase heaters and not due to cycling performance of the AC, and is only valid for a particular set of assumptions. Adding or removing individual characteristics, such as ducts or crankcase heaters, can have measurable impacts on energy use. However, with all other home characteristics held constant, oversizing the AC generally has a small effect on coolingmore » energy use, even if the cycling performance of the unit is poor. The relevant aspects of air conditioner modeling are discussed to illustrate the effects of the cycling loss coefficient, Cd, capacity, climate, ducts and parasitic losses such as crankcase heaters. A case study of a typical 1960's vintage home demonstrates results in the context of whole building simulations using EnergyPlus.« less

Low energy recoil detection with a spherical proportional counter

NASA Astrophysics Data System (ADS)

Savvidis, I.; Katsioulas, I.; Eleftheriadis, C.; Giomataris, I.; Papaevangellou, T.

2018-01-01

We present results for the detection of low energy nuclear recoils in the keV energy region, from measurements performed with the Spherical Proportional Counter (SPC). An 241Am-9Be fast neutron source is used in order to obtain neutron-nucleus elastic scattering events inside the gaseous volume of the detector. The detector performance in the keV energy region was measured by observing the 5.9 keV line of a 55Fe X-ray source, with energy resolution of 10% (σ). The toolkit GEANT4 was used to simulate the irradiation of the detector by an 241Am-9Be source, while SRIM was used to calculate the Ionization Quenching Factor (IQF), the simulation results are compared with the measurements. The potential of the SPC in low energy recoil detection makes the detector a good candidate for a wide range of applications, including Supernova or reactor neutrino detection and Dark Matter (WIMP) searches (via coherent elastic scattering).

Near-Surface Meteorology During the Arctic Summer Cloud Ocean Study (ASCOS): Evaluation of Reanalyses and Global Climate Models.

NASA Technical Reports Server (NTRS)

De Boer, G.; Shupe, M.D.; Caldwell, P.M.; Bauer, Susanne E.; Persson, O.; Boyle, J.S.; Kelley, M.; Klein, S.A.; Tjernstrom, M.

2014-01-01

Atmospheric measurements from the Arctic Summer Cloud Ocean Study (ASCOS) are used to evaluate the performance of three atmospheric reanalyses (European Centre for Medium Range Weather Forecasting (ECMWF)- Interim reanalysis, National Center for Environmental Prediction (NCEP)-National Center for Atmospheric Research (NCAR) reanalysis, and NCEP-DOE (Department of Energy) reanalysis) and two global climate models (CAM5 (Community Atmosphere Model 5) and NASA GISS (Goddard Institute for Space Studies) ModelE2) in simulation of the high Arctic environment. Quantities analyzed include near surface meteorological variables such as temperature, pressure, humidity and winds, surface-based estimates of cloud and precipitation properties, the surface energy budget, and lower atmospheric temperature structure. In general, the models perform well in simulating large-scale dynamical quantities such as pressure and winds. Near-surface temperature and lower atmospheric stability, along with surface energy budget terms, are not as well represented due largely to errors in simulation of cloud occurrence, phase and altitude. Additionally, a development version of CAM5, which features improved handling of cloud macro physics, has demonstrated to improve simulation of cloud properties and liquid water amount. The ASCOS period additionally provides an excellent example of the benefits gained by evaluating individual budget terms, rather than simply evaluating the net end product, with large compensating errors between individual surface energy budget terms that result in the best net energy budget.

Development of a Continuum Damage Mechanics Material Model of a Graphite-Kevlar(Registered Trademark) Hybrid Fabric for Simulating the Impact Response of Energy Absorbing Kevlar(Registered Trademark) Hybrid Fabric for Simulating the Impact Response of Energy Absorbing

NASA Technical Reports Server (NTRS)

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

2017-01-01

This paper describes the development of input properties for a continuum damage mechanics based material model, Mat 58, within LS-DYNA(Registered Trademark) to simulate the response of a graphite-Kevlar(Registered Trademark) hybrid plain weave fabric. A limited set of material characterization tests were performed on the hybrid graphite-Kevlar(Registered Trademark) fabric. Simple finite element models were executed in LS-DYNA(Registered Trademark) to simulate the material characterization tests and to verify the Mat 58 material model. Once verified, the Mat 58 model was used in finite element models of two composite energy absorbers: a conical-shaped design, designated the "conusoid," fabricated of four layers of hybrid graphite-Kevlar(Registered Trademark) fabric; and, a sinusoidal-shaped foam sandwich design, designated the "sinusoid," fabricated of the same hybrid fabric face sheets with a foam core. Dynamic crush tests were performed on components of the two energy absorbers, which were designed to limit average vertical accelerations to 25- to 40-g, to minimize peak crush loads, and to generate relatively long crush stroke values under dynamic loading conditions. Finite element models of the two energy absorbers utilized the Mat 58 model that had been verified through material characterization testing. Excellent predictions of the dynamic crushing response were obtained.

Center for the Built Environment: Setpoint Energy Savings Calculator

Science.gov Websites

. Arens, and H. Zhang, 2014. Extending air temperature setpoints: Simulated energy savings and design Near-ZNE Buildings Setpoint Energy Savings Calculator UFAD Case Studies UFAD Cooling Design Tool UFAD Cost Analysis UFAD Design Guide UFAD East End UFAD Energy Modeling UFAD Plenum Performance UFAD

Performance of today’s dual energy CT and future multi energy CT in virtual non-contrast imaging and in iodine quantification: A simulation study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Faby, Sebastian, E-mail: sebastian.faby@dkfz.de; Kuchenbecker, Stefan; Sawall, Stefan

2015-07-15

Purpose: To study the performance of different dual energy computed tomography (DECT) techniques, which are available today, and future multi energy CT (MECT) employing novel photon counting detectors in an image-based material decomposition task. Methods: The material decomposition performance of different energy-resolved CT acquisition techniques is assessed and compared in a simulation study of virtual non-contrast imaging and iodine quantification. The material-specific images are obtained via a statistically optimal image-based material decomposition. A projection-based maximum likelihood approach was used for comparison with the authors’ image-based method. The different dedicated dual energy CT techniques are simulated employing realistic noise models andmore » x-ray spectra. The authors compare dual source DECT with fast kV switching DECT and the dual layer sandwich detector DECT approach. Subsequent scanning and a subtraction method are studied as well. Further, the authors benchmark future MECT with novel photon counting detectors in a dedicated DECT application against the performance of today’s DECT using a realistic model. Additionally, possible dual source concepts employing photon counting detectors are studied. Results: The DECT comparison study shows that dual source DECT has the best performance, followed by the fast kV switching technique and the sandwich detector approach. Comparing DECT with future MECT, the authors found noticeable material image quality improvements for an ideal photon counting detector; however, a realistic detector model with multiple energy bins predicts a performance on the level of dual source DECT at 100 kV/Sn 140 kV. Employing photon counting detectors in dual source concepts can improve the performance again above the level of a single realistic photon counting detector and also above the level of dual source DECT. Conclusions: Substantial differences in the performance of today’s DECT approaches were found for the application of virtual non-contrast and iodine imaging. Future MECT with realistic photon counting detectors currently can only perform comparably to dual source DECT at 100 kV/Sn 140 kV. Dual source concepts with photon counting detectors could be a solution to this problem, promising a better performance.« less

MCNP6 simulation of radiographs generated from megaelectron volt X-rays for characterizing a computed tomography system

NASA Astrophysics Data System (ADS)

Dooraghi, Alex A.; Tringe, Joseph W.

2018-04-01

To evaluate conventional munition, we simulated an x-ray computed tomography (CT) system for generating radiographs from nominal x-ray energies of 6 or 9 megaelectron volts (MeV). CT simulations, informed by measured data, allow for optimization of both system design and acquisition techniques necessary to enhance image quality. MCNP6 radiographic simulation tools were used to model ideal detector responses (DR) that assume either (1) a detector response proportional to photon flux (N) or (2) a detector response proportional to energy flux (E). As scatter may become significant with MeV x-ray systems, simulations were performed with and without the inclusion of object scatter. Simulations were compared against measurements of a cylindrical munition component principally composed of HMX, tungsten and aluminum encased in carbon fiber. Simulations and measurements used a 6 MeV peak energy x-ray spectrum filtered with 3.175 mm of tantalum. A detector response proportional to energy which includes object scatter agrees to within 0.6 % of the measured line integral of the linear attenuation coefficient. Exclusion of scatter increases the difference between measurement and simulation to 5 %. A detector response proportional to photon flux agrees to within 20 % when object scatter is included in the simulation and 27 % when object scatter is excluded.

Multicanonical molecular dynamics simulations combined with Metadynamics for the free energy landscape of a biomolecular system with high energy barriers

NASA Astrophysics Data System (ADS)

Yonezawa, Yasushige; Shimoyama, Hiromitsu; Nakamura, Haruki

2011-01-01

Multicanonical molecular-dynamics (McMD) simulation and Metadynamics (MetaD) are useful for obtaining the free-energies, and can be mutually complementary. We combined McMD with MetaD, and applied it to the conformational free energy calculations of a proline dipeptide. First, MetaD was performed along the dihedral angle at the prolyl bond and we obtained a coarse biasing potential. After adding the biasing potential to the dihedral angle potential energy, we conducted McMD with the modified potential energy. Enhanced sampling was achieved for all degrees-of-freedom, and the sampling of the dihedral angle space was facilitated. After reweighting, we obtained an accurate free energy landscape.

Building and occupant characteristics as determinants of residential energy consumption

NASA Astrophysics Data System (ADS)

Nieves, L. A.; Nieves, A. L.

1981-10-01

The probable effects of building energy performance standards on energy consumption were studied. Observations of actual residential energy consumption that could affirm or disaffirm consumption estimates of the Department of Energy's 2.0A simulation model were obtained. Home owner's conservation investments and home purchase decisions were investigated. The investigation of determinants of household energy consumption is described. The underlying economic theory and its implications are given as well as a description of the data collection procedures, of the formulation of variables, and then of data analysis and findings. The assumptions and limitations of the energy use projections generated by the DOE 2.0A model are discussed. Actual electricity data for the houses are then compared with results of the simulation.

Multiyear Plan for Validation of EnergyPlus Multi-Zone HVAC System Modeling using ORNL's Flexible Research Platform

DOE Office of Scientific and Technical Information (OSTI.GOV)

Im, Piljae; Bhandari, Mahabir S.; New, Joshua Ryan

This document describes the Oak Ridge National Laboratory (ORNL) multiyear experimental plan for validation and uncertainty characterization of whole-building energy simulation for a multi-zone research facility using a traditional rooftop unit (RTU) as a baseline heating, ventilating, and air conditioning (HVAC) system. The project’s overarching objective is to increase the accuracy of energy simulation tools by enabling empirical validation of key inputs and algorithms. Doing so is required to inform the design of increasingly integrated building systems and to enable accountability for performance gaps between design and operation of a building. The project will produce documented data sets that canmore » be used to validate key functionality in different energy simulation tools and to identify errors and inadequate assumptions in simulation engines so that developers can correct them. ASHRAE Standard 140, Method of Test for the Evaluation of Building Energy Analysis Computer Programs (ASHRAE 2004), currently consists primarily of tests to compare different simulation programs with one another. This project will generate sets of measured data to enable empirical validation, incorporate these test data sets in an extended version of Standard 140, and apply these tests to the Department of Energy’s (DOE) EnergyPlus software (EnergyPlus 2016) to initiate the correction of any significant deficiencies. The fitness-for-purpose of the key algorithms in EnergyPlus will be established and demonstrated, and vendors of other simulation programs will be able to demonstrate the validity of their products. The data set will be equally applicable to validation of other simulation engines as well.« less

Biomechanics and muscle coordination of human walking. Part I: introduction to concepts, power transfer, dynamics and simulations.

PubMed

Zajac, Felix E; Neptune, Richard R; Kautz, Steven A

2002-12-01

Current understanding of how muscles coordinate walking in humans is derived from analyses of body motion, ground reaction force and EMG measurements. This is Part I of a two-part review that emphasizes how muscle-driven dynamics-based simulations assist in the understanding of individual muscle function in walking, especially the causal relationships between muscle force generation and walking kinematics and kinetics. Part I reviews the strengths and limitations of Newton-Euler inverse dynamics and dynamical simulations, including the ability of each to find the contributions of individual muscles to the acceleration/deceleration of the body segments. We caution against using the concept of biarticular muscles transferring power from one joint to another to infer muscle coordination principles because energy flow among segments, even the adjacent segments associated with the joints, cannot be inferred from computation of joint powers and segmental angular velocities alone. Rather, we encourage the use of dynamical simulations to perform muscle-induced segmental acceleration and power analyses. Such analyses have shown that the exchange of segmental energy caused by the forces or accelerations induced by a muscle can be fundamentally invariant to whether the muscle is shortening, lengthening, or neither. How simulation analyses lead to understanding the coordination of seated pedaling, rather than walking, is discussed in this first part because the dynamics of pedaling are much simpler, allowing important concepts to be revealed. We elucidate how energy produced by muscles is delivered to the crank through the synergistic action of other non-energy producing muscles; specifically, that a major function performed by a muscle arises from the instantaneous segmental accelerations and redistribution of segmental energy throughout the body caused by its force generation. Part II reviews how dynamical simulations provide insight into muscle coordination of walking.

A numerical investigation on the efficiency of range extending systems using Advanced Vehicle Simulator

NASA Astrophysics Data System (ADS)

Varnhagen, Scott; Same, Adam; Remillard, Jesse; Park, Jae Wan

2011-03-01

Series plug-in hybrid electric vehicles of varying engine configuration and battery capacity are modeled using Advanced Vehicle Simulator (ADVISOR). The performance of these vehicles is analyzed on the bases of energy consumption and greenhouse gas emissions on the tank-to-wheel and well-to-wheel paths. Both city and highway driving conditions are considered during the simulation. When simulated on the well-to-wheel path, it is shown that the range extender with a Wankel rotary engine consumes less energy and emits fewer greenhouse gases compared to the other systems with reciprocating engines during many driving cycles. The rotary engine has a higher power-to-weight ratio and lower noise, vibration and harshness compared to conventional reciprocating engines, although performs less efficiently. The benefits of a Wankel engine make it an attractive option for use as a range extender in a plug-in hybrid electric vehicle.

Charge and energy dynamics in photo-excited poly(para-phenylenevinylene) systems

NASA Astrophysics Data System (ADS)

Gisslén, L.; Johansson, A.˚.; Stafström, S.

2004-07-01

We report results from simulations of charge and energy dynamics in poly(para-phenylenevinylene) (PPV) and PPV interacting with C60. The simulations were performed by solving the time-dependent Schrödinger equation and the lattice equation of motion simultaneously and nonadiabatically. The electronic system and the coupling of the electrons to the lattice were described by an extended three-dimensional version of the Su-Schrieffer-Heeger model, which also included an external electric field. Electron and lattice dynamics following electronic excitations at different energies have been simulated. The effect of additional lattice energy was also included in the simulations. Our results show that both exciton diffusion and transitions from high to lower lying excitations are stimulated by increasing the lattice energy. Also field induced charge separation occurs faster if the lattice energy is increased. This separation process is highly nonadiabatic and involves a significant rearrangement of the electron distribution. In the case of PPV coupled to C60, we observe a spontaneous charge separation. The separation time is in this case limited by the local concentration of C60 molecules close to the PPV chain.

Chemical Dynamics Simulations of Intermolecular Energy Transfer: Azulene + N2 Collisions.

PubMed

Kim, Hyunsik; Paul, Amit K; Pratihar, Subha; Hase, William L

2016-07-14

Chemical dynamics simulations were performed to investigate collisional energy transfer from highly vibrationally excited azulene (Az*) in a N2 bath. The intermolecular potential between Az and N2, used for the simulations, was determined from MP2/6-31+G* ab initio calculations. Az* is prepared with an 87.5 kcal/mol excitation energy by using quantum microcanonical sampling, including its 95.7 kcal/mol zero-point energy. The average energy of Az* versus time, obtained from the simulations, shows different rates of Az* deactivation depending on the N2 bath density. Using the N2 bath density and Lennard-Jones collision number, the average energy transfer per collision ⟨ΔEc⟩ was obtained for Az* as it is collisionally relaxed. By comparing ⟨ΔEc⟩ versus the bath density, the single collision limiting density was found for energy transfer. The resulting ⟨ΔEc⟩, for an 87.5 kcal/mol excitation energy, is 0.30 ± 0.01 and 0.32 ± 0.01 kcal/mol for harmonic and anharmonic Az potentials, respectively. For comparison, the experimental value is 0.57 ± 0.11 kcal/mol. During Az* relaxation there is no appreciable energy transfer to Az translation and rotation, and the energy transfer is to the N2 bath.

Using Coupled Energy, Airflow and IAQ Software (TRNSYS/CONTAM) to Evaluate Building Ventilation Strategies.

PubMed

Dols, W Stuart; Emmerich, Steven J; Polidoro, Brian J

2016-03-01

Building energy analysis tools are available in many forms that provide the ability to address a broad spectrum of energy-related issues in various combinations. Often these tools operate in isolation from one another, making it difficult to evaluate the interactions between related phenomena and interacting systems, forcing oversimplified assumptions to be made about various phenomena that could otherwise be addressed directly with another tool. One example of such interdependence is the interaction between heat transfer, inter-zone airflow and indoor contaminant transport. In order to better address these interdependencies, the National Institute of Standards and Technology (NIST) has developed an updated version of the multi-zone airflow and contaminant transport modelling tool, CONTAM, along with a set of utilities to enable coupling of the full CONTAM model with the TRNSYS simulation tool in a more seamless manner and with additional capabilities that were previously not available. This paper provides an overview of these new capabilities and applies them to simulating a medium-size office building. These simulations address the interaction between whole-building energy, airflow and contaminant transport in evaluating various ventilation strategies including natural and demand-controlled ventilation. CONTAM has been in practical use for many years allowing building designers, as well as IAQ and ventilation system analysts, to simulate the complex interactions between building physical layout and HVAC system configuration in determining building airflow and contaminant transport. It has been widely used to design and analyse smoke management systems and evaluate building performance in response to chemical, biological and radiological events. While CONTAM has been used to address design and performance of buildings implementing energy conserving ventilation systems, e.g., natural and hybrid, this new coupled simulation capability will enable users to apply the tool to couple CONTAM with existing energy analysis software to address the interaction between indoor air quality considerations and energy conservation measures in building design and analysis. This paper presents two practical case studies using the coupled modelling tool to evaluate IAQ performance of a CO 2 -based demand-controlled ventilation system under different levels of building envelope airtightness and the design and analysis of a natural ventilation system.

Using Coupled Energy, Airflow and IAQ Software (TRNSYS/CONTAM) to Evaluate Building Ventilation Strategies

PubMed Central

Dols, W. Stuart.; Emmerich, Steven J.; Polidoro, Brian J.

2016-01-01

Building energy analysis tools are available in many forms that provide the ability to address a broad spectrum of energy-related issues in various combinations. Often these tools operate in isolation from one another, making it difficult to evaluate the interactions between related phenomena and interacting systems, forcing oversimplified assumptions to be made about various phenomena that could otherwise be addressed directly with another tool. One example of such interdependence is the interaction between heat transfer, inter-zone airflow and indoor contaminant transport. In order to better address these interdependencies, the National Institute of Standards and Technology (NIST) has developed an updated version of the multi-zone airflow and contaminant transport modelling tool, CONTAM, along with a set of utilities to enable coupling of the full CONTAM model with the TRNSYS simulation tool in a more seamless manner and with additional capabilities that were previously not available. This paper provides an overview of these new capabilities and applies them to simulating a medium-size office building. These simulations address the interaction between whole-building energy, airflow and contaminant transport in evaluating various ventilation strategies including natural and demand-controlled ventilation. Practical Application CONTAM has been in practical use for many years allowing building designers, as well as IAQ and ventilation system analysts, to simulate the complex interactions between building physical layout and HVAC system configuration in determining building airflow and contaminant transport. It has been widely used to design and analyse smoke management systems and evaluate building performance in response to chemical, biological and radiological events. While CONTAM has been used to address design and performance of buildings implementing energy conserving ventilation systems, e.g., natural and hybrid, this new coupled simulation capability will enable users to apply the tool to couple CONTAM with existing energy analysis software to address the interaction between indoor air quality considerations and energy conservation measures in building design and analysis. This paper presents two practical case studies using the coupled modelling tool to evaluate IAQ performance of a CO2-based demand-controlled ventilation system under different levels of building envelope airtightness and the design and analysis of a natural ventilation system. PMID:27099405

DOE Office of Scientific and Technical Information (OSTI.GOV)

Panebianco, S.; Dore, D.; Giomataris, I.

Time Projection Chambers are widely used since many years for tracking and identification of charged particles in high energy physics. We present a new R and D project to investigate the feasibility of a Micromegas TPC for low energy heavy ions detection. Two physics cases are relevant for this project. The first is the study of the nuclear fission of actinides by measuring the fission fragments properties (mass, nuclear charge, kinetic energy) that will be performed at different installations and in particular at the NFS facility to be built in the framework of the SPIRAL2 project in GANIL. The secondmore » physics case is the study of heavy ion reactions, like ({alpha},{gamma}), ({alpha},p), ({alpha},n) and all the inverse reactions in the energy range between 1.5 and 3 AMeV using both stable and radioactive beams. These reactions have a key role in p process in nuclear astrophysics to explain the synthesis of heavy proton-rich nuclei. Within the project, a large effort is devoted to Monte-Carlo simulations and a detailed benchmark of different simulation codes on the energy loss and range in gas of heavy ions at low energy has been performed. A new approach for simulating the ion charge state evolution in GEANT4 is also presented. Finally, preliminary results of an experimental test campaign on prototype are discussed.« less

Scout: An Impact Analysis Tool for Building Energy-Efficiency Technologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, Chioke; Langevin, Jared; Roth, Amir

Evaluating the national impacts of candidate U.S. building energy-efficiency technologies has historically been difficult for organizations with large energy efficiency portfolios. In particular, normalizing results from technology-specific impact studies is time-consuming when those studies do not use comparable assumptions about the underlying building stock. To equitably evaluate its technology research, development, and deployment portfolio, the U.S. Department of Energy's Building Technologies Office has developed Scout, a software tool that quantitatively assesses the energy and CO2 impacts of building energy-efficiency measures on the national building stock. Scout efficiency measures improve upon the unit performance and/or lifetime operational costs of an equipmentmore » stock baseline that is determined from the U.S. Energy Information Administration Annual Energy Outlook (AEO). Scout measures are characterized by a market entry and exit year, unit performance level, cost, and lifetime. To evaluate measures on a consistent basis, Scout uses EnergyPlus simulation on prototype building models to translate measure performance specifications to whole-building energy savings; these savings impacts are then extended to a national scale using floor area weighting factors. Scout represents evolution in the building stock over time using AEO projections for new construction, retrofit, and equipment replacements, and competes technologies within market segments under multiple adoption scenarios. Scout and its efficiency measures are open-source, as is the EnergyPlus whole building simulation framework that is used to evaluate measure performance. The program is currently under active development and will be formally released once an initial set of measures has been analyzed and reviewed.« less

Dependence of solid-liquid interface free energy on liquid structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wilson, S R; Mendelev, M I

2014-09-01

The Turnbull relation is widely believed to enable prediction of solid–liquid interface (SLI) free energies from measurements of the latent heat and the solid density. Ewing proposed an additional contribution to the SLI free energy to account for variations in liquid structure near the interface. In the present study, molecular dynamics (MD) simulations were performed to investigate whether SLI free energy depends on liquid structure. Analysis of the MD simulation data for 11 fcc metals demonstrated that the Turnbull relation is only a rough approximation for highly ordered liquids, whereas much better agreement is observed with Ewing’s theory. A modificationmore » to Ewing’s relation is proposed in this study that was found to provide excellent agreement with MD simulation data.« less

Performance evaluation of an agent-based occupancy simulation model

DOE PAGES

Luo, Xuan; Lam, Khee Poh; Chen, Yixing; ...

2017-01-17

Occupancy is an important factor driving building performance. Static and homogeneous occupant schedules, commonly used in building performance simulation, contribute to issues such as performance gaps between simulated and measured energy use in buildings. Stochastic occupancy models have been recently developed and applied to better represent spatial and temporal diversity of occupants in buildings. However, there is very limited evaluation of the usability and accuracy of these models. This study used measured occupancy data from a real office building to evaluate the performance of an agent-based occupancy simulation model: the Occupancy Simulator. The occupancy patterns of various occupant types weremore » first derived from the measured occupant schedule data using statistical analysis. Then the performance of the simulation model was evaluated and verified based on (1) whether the distribution of observed occupancy behavior patterns follows the theoretical ones included in the Occupancy Simulator, and (2) whether the simulator can reproduce a variety of occupancy patterns accurately. Results demonstrated the feasibility of applying the Occupancy Simulator to simulate a range of occupancy presence and movement behaviors for regular types of occupants in office buildings, and to generate stochastic occupant schedules at the room and individual occupant levels for building performance simulation. For future work, model validation is recommended, which includes collecting and using detailed interval occupancy data of all spaces in an office building to validate the simulated occupant schedules from the Occupancy Simulator.« less

Performance evaluation of an agent-based occupancy simulation model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Xuan; Lam, Khee Poh; Chen, Yixing

Occupancy is an important factor driving building performance. Static and homogeneous occupant schedules, commonly used in building performance simulation, contribute to issues such as performance gaps between simulated and measured energy use in buildings. Stochastic occupancy models have been recently developed and applied to better represent spatial and temporal diversity of occupants in buildings. However, there is very limited evaluation of the usability and accuracy of these models. This study used measured occupancy data from a real office building to evaluate the performance of an agent-based occupancy simulation model: the Occupancy Simulator. The occupancy patterns of various occupant types weremore » first derived from the measured occupant schedule data using statistical analysis. Then the performance of the simulation model was evaluated and verified based on (1) whether the distribution of observed occupancy behavior patterns follows the theoretical ones included in the Occupancy Simulator, and (2) whether the simulator can reproduce a variety of occupancy patterns accurately. Results demonstrated the feasibility of applying the Occupancy Simulator to simulate a range of occupancy presence and movement behaviors for regular types of occupants in office buildings, and to generate stochastic occupant schedules at the room and individual occupant levels for building performance simulation. For future work, model validation is recommended, which includes collecting and using detailed interval occupancy data of all spaces in an office building to validate the simulated occupant schedules from the Occupancy Simulator.« less

Use of Machine Learning Algorithms to Propose a New Methodology to Conduct, Critique and Validate Urban Scale Building Energy Modeling

NASA Astrophysics Data System (ADS)

Pathak, Maharshi

City administrators and real-estate developers have been setting up rather aggressive energy efficiency targets. This, in turn, has led the building science research groups across the globe to focus on urban scale building performance studies and level of abstraction associated with the simulations of the same. The increasing maturity of the stakeholders towards energy efficiency and creating comfortable working environment has led researchers to develop methodologies and tools for addressing the policy driven interventions whether it's urban level energy systems, buildings' operational optimization or retrofit guidelines. Typically, these large-scale simulations are carried out by grouping buildings based on their design similarities i.e. standardization of the buildings. Such an approach does not necessarily lead to potential working inputs which can make decision-making effective. To address this, a novel approach is proposed in the present study. The principle objective of this study is to propose, to define and evaluate the methodology to utilize machine learning algorithms in defining representative building archetypes for the Stock-level Building Energy Modeling (SBEM) which are based on operational parameter database. The study uses "Phoenix- climate" based CBECS-2012 survey microdata for analysis and validation. Using the database, parameter correlations are studied to understand the relation between input parameters and the energy performance. Contrary to precedence, the study establishes that the energy performance is better explained by the non-linear models. The non-linear behavior is explained by advanced learning algorithms. Based on these algorithms, the buildings at study are grouped into meaningful clusters. The cluster "mediod" (statistically the centroid, meaning building that can be represented as the centroid of the cluster) are established statistically to identify the level of abstraction that is acceptable for the whole building energy simulations and post that the retrofit decision-making. Further, the methodology is validated by conducting Monte-Carlo simulations on 13 key input simulation parameters. The sensitivity analysis of these 13 parameters is utilized to identify the optimum retrofits. From the sample analysis, the envelope parameters are found to be more sensitive towards the EUI of the building and thus retrofit packages should also be directed to maximize the energy usage reduction.

Efficient Data Gathering in 3D Linear Underwater Wireless Sensor Networks Using Sink Mobility

PubMed Central

Akbar, Mariam; Javaid, Nadeem; Khan, Ayesha Hussain; Imran, Muhammad; Shoaib, Muhammad; Vasilakos, Athanasios

2016-01-01

Due to the unpleasant and unpredictable underwater environment, designing an energy-efficient routing protocol for underwater wireless sensor networks (UWSNs) demands more accuracy and extra computations. In the proposed scheme, we introduce a mobile sink (MS), i.e., an autonomous underwater vehicle (AUV), and also courier nodes (CNs), to minimize the energy consumption of nodes. MS and CNs stop at specific stops for data gathering; later on, CNs forward the received data to the MS for further transmission. By the mobility of CNs and MS, the overall energy consumption of nodes is minimized. We perform simulations to investigate the performance of the proposed scheme and compare it to preexisting techniques. Simulation results are compared in terms of network lifetime, throughput, path loss, transmission loss and packet drop ratio. The results show that the proposed technique performs better in terms of network lifetime, throughput, path loss and scalability. PMID:27007373

Efficient Data Gathering in 3D Linear Underwater Wireless Sensor Networks Using Sink Mobility.

PubMed

Akbar, Mariam; Javaid, Nadeem; Khan, Ayesha Hussain; Imran, Muhammad; Shoaib, Muhammad; Vasilakos, Athanasios

2016-03-19

Due to the unpleasant and unpredictable underwater environment, designing an energy-efficient routing protocol for underwater wireless sensor networks (UWSNs) demands more accuracy and extra computations. In the proposed scheme, we introduce a mobile sink (MS), i.e., an autonomous underwater vehicle (AUV), and also courier nodes (CNs), to minimize the energy consumption of nodes. MS and CNs stop at specific stops for data gathering; later on, CNs forward the received data to the MS for further transmission. By the mobility of CNs and MS, the overall energy consumption of nodes is minimized. We perform simulations to investigate the performance of the proposed scheme and compare it to preexisting techniques. Simulation results are compared in terms of network lifetime, throughput, path loss, transmission loss and packet drop ratio. The results show that the proposed technique performs better in terms of network lifetime, throughput, path loss and scalability.

GMXPBSA 2.0: A GROMACS tool to perform MM/PBSA and computational alanine scanning

NASA Astrophysics Data System (ADS)

Paissoni, C.; Spiliotopoulos, D.; Musco, G.; Spitaleri, A.

2014-11-01

GMXPBSA 2.0 is a user-friendly suite of Bash/Perl scripts for streamlining MM/PBSA calculations on structural ensembles derived from GROMACS trajectories, to automatically calculate binding free energies for protein-protein or ligand-protein complexes. GMXPBSA 2.0 is flexible and can easily be customized to specific needs. Additionally, it performs computational alanine scanning (CAS) to study the effects of ligand and/or receptor alanine mutations on the free energy of binding. Calculations require only for protein-protein or protein-ligand MD simulations. GMXPBSA 2.0 performs different comparative analysis, including a posteriori generation of alanine mutants of the wild-type complex, calculation of the binding free energy values of the mutant complexes and comparison of the results with the wild-type system. Moreover, it compares the binding free energy of different complexes trajectories, allowing the study the effects of non-alanine mutations, post-translational modifications or unnatural amino acids on the binding free energy of the system under investigation. Finally, it can calculate and rank relative affinity to the same receptor utilizing MD simulations of proteins in complex with different ligands. In order to dissect the different MM/PBSA energy contributions, including molecular mechanic (MM), electrostatic contribution to solvation (PB) and nonpolar contribution to solvation (SA), the tool combines two freely available programs: the MD simulations software GROMACS and the Poisson-Boltzmann equation solver APBS. All the calculations can be performed in single or distributed automatic fashion on a cluster facility in order to increase the calculation by dividing frames across the available processors. The program is freely available under the GPL license.

Fuzzy energy management for hybrid fuel cell/battery systems for more electric aircraft

NASA Astrophysics Data System (ADS)

Corcau, Jenica-Ileana; Dinca, Liviu; Grigorie, Teodor Lucian; Tudosie, Alexandru-Nicolae

2017-06-01

In this paper is presented the simulation and analysis of a Fuzzy Energy Management for Hybrid Fuel cell/Battery Systems used for More Electric Aircraft. The fuel cell hybrid system contains of fuel cell, lithium-ion batteries along with associated dc to dc boost converters. In this configuration the battery has a dc to dc converter, because it is an active in the system. The energy management scheme includes the rule based fuzzy logic strategy. This scheme has a faster response to load change and is more robust to measurement imprecisions. Simulation will be provided using Matlab/Simulink based models. Simulation results are given to show the overall system performance.

IMPROVING TACONITE PROCESSING PLANT EFFICIENCY BY COMPUTER SIMULATION, Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

William M. Bond; Salih Ersayin

2007-03-30

This project involved industrial scale testing of a mineral processing simulator to improve the efficiency of a taconite processing plant, namely the Minorca mine. The Concentrator Modeling Center at the Coleraine Minerals Research Laboratory, University of Minnesota Duluth, enhanced the capabilities of available software, Usim Pac, by developing mathematical models needed for accurate simulation of taconite plants. This project provided funding for this technology to prove itself in the industrial environment. As the first step, data representing existing plant conditions were collected by sampling and sample analysis. Data were then balanced and provided a basis for assessing the efficiency ofmore » individual devices and the plant, and also for performing simulations aimed at improving plant efficiency. Performance evaluation served as a guide in developing alternative process strategies for more efficient production. A large number of computer simulations were then performed to quantify the benefits and effects of implementing these alternative schemes. Modification of makeup ball size was selected as the most feasible option for the target performance improvement. This was combined with replacement of existing hydrocyclones with more efficient ones. After plant implementation of these modifications, plant sampling surveys were carried out to validate findings of the simulation-based study. Plant data showed very good agreement with the simulated data, confirming results of simulation. After the implementation of modifications in the plant, several upstream bottlenecks became visible. Despite these bottlenecks limiting full capacity, concentrator energy improvement of 7% was obtained. Further improvements in energy efficiency are expected in the near future. The success of this project demonstrated the feasibility of a simulation-based approach. Currently, the Center provides simulation-based service to all the iron ore mining companies operating in northern Minnesota, and future proposals are pending with non-taconite mineral processing applications.« less

Teaching Sustainable Design Using BIM and Project-Based Energy Simulations

ERIC Educational Resources Information Center

Shen, Zhigang; Jensen, Wayne; Wentz, Timothy; Fischer, Bruce

2012-01-01

The cross-disciplinary nature of energy-efficient building design has created many challenges for architecture, engineering and construction instructors. One of the technical challenges in teaching sustainable building design is enabling students to quantitatively understand how different building designs affect a building's energy performance.…

Energy resolution of pulsed neutron beam provided by the ANNRI beamline at the J-PARC/MLF

NASA Astrophysics Data System (ADS)

Kino, K.; Furusaka, M.; Hiraga, F.; Kamiyama, T.; Kiyanagi, Y.; Furutaka, K.; Goko, S.; Hara, K. Y.; Harada, H.; Harada, M.; Hirose, K.; Kai, T.; Kimura, A.; Kin, T.; Kitatani, F.; Koizumi, M.; Maekawa, F.; Meigo, S.; Nakamura, S.; Ooi, M.; Ohta, M.; Oshima, M.; Toh, Y.; Igashira, M.; Katabuchi, T.; Mizumoto, M.; Hori, J.

2014-02-01

We studied the energy resolution of the pulsed neutron beam of the Accurate Neutron-Nucleus Reaction Measurement Instrument (ANNRI) at the Japan Proton Accelerator Research Complex/Materials and Life Science Experimental Facility (J-PARC/MLF). A simulation in the energy region from 0.7 meV to 1 MeV was performed and measurements were made at thermal (0.76-62 meV) and epithermal energies (4.8-410 eV). The neutron energy resolution of ANNRI determined by the time-of-flight technique depends on the time structure of the neutron pulse. We obtained the neutron energy resolution as a function of the neutron energy by the simulation in the two operation modes of the neutron source: double- and single-bunch modes. In double-bunch mode, the resolution deteriorates above about 10 eV because the time structure of the neutron pulse splits into two peaks. The time structures at 13 energy points from measurements in the thermal energy region agree with those of the simulation. In the epithermal energy region, the time structures at 17 energy points were obtained from measurements and agree with those of the simulation. The FWHM values of the time structures by the simulation and measurements were found to be almost consistent. In the single-bunch mode, the energy resolution is better than about 1% between 1 meV and 10 keV at a neutron source operation of 17.5 kW. These results confirm the energy resolution of the pulsed neutron beam produced by the ANNRI beamline.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khan, Yasin; Khare, Vaibhav Rai; Mathur, Jyotirmay

The paper describes a parametric study developed to estimate the energy savings potential of a radiant cooling system installed in a commercial building in India. The study is based on numerical modeling of a radiant cooling system installed in an Information Technology (IT) office building sited in the composite climate of Hyderabad. To evaluate thermal performance and energy consumption, simulations were carried out using the ANSYS FLUENT and EnergyPlus softwares, respectively. The building model was calibrated using the measured data for the installed radiant system. Then this calibrated model was used to simulate the energy consumption of a building usingmore » a conventional all-air system to determine the proportional energy savings. For proper handling of the latent load, a dedicated outside air system (DOAS) was used as an alternative to Fan Coil Unit (FCU). A comparison of energy consumption calculated that the radiant system was 17.5 % more efficient than a conventional all-air system and that a 30% savings was achieved by using a DOAS system compared with a conventional system. Computational Fluid Dynamics (CFD) simulation was performed to evaluate indoor air quality and thermal comfort. It was found that a radiant system offers more uniform temperatures, as well as a better mean air temperature range, than a conventional system. To further enhance the energy savings in the radiant system, different operational strategies were analyzed based on thermal analysis using EnergyPlus. Lastly, the energy savings achieved in this parametric run were more than 10% compared with a conventional all-air system.« less

Optimization of the K-edge imaging for vulnerable plaques using gold nanoparticles and energy-resolved photon counting detectors: a simulation study

PubMed Central

Alivov, Yahya; Baturin, Pavlo; Le, Huy Q.; Ducote, Justin; Molloi, Sabee

2014-01-01

We investigated the effect of different imaging parameters such as dose, beam energy, energy resolution, and number of energy bins on image quality of K-edge spectral computed tomography (CT) of gold nanoparticles (GNP) accumulated in an atherosclerotic plaque. Maximum likelihood technique was employed to estimate the concentration of GNP, which served as a targeted intravenous contrast material intended to detect the degree of plaque's inflammation. The simulations studies used a single slice parallel beam CT geometry with an X-ray beam energy ranging between 50 and 140 kVp. The synthetic phantoms included small (3 cm in diameter) cylinder and chest (33x24 cm2) phantom, where both phantoms contained tissue, calcium, and gold. In the simulation studies GNP quantification and background (calcium and tissue) suppression task were pursued. The X-ray detection sensor was represented by an energy resolved photon counting detector (e.g., CdZnTe) with adjustable energy bins. Both ideal and more realistic (12% FWHM energy resolution) implementations of photon counting detector were simulated. The simulations were performed for the CdZnTe detector with pixel pitch of 0.5-1 mm, which corresponds to the performance without significant charge sharing and cross-talk effects. The Rose model was employed to estimate the minimum detectable concentration of GNPs. A figure of merit (FOM) was used to optimize the X-ray beam energy (kVp) to achieve the highest signal-to-noise ratio (SNR) with respect to patient dose. As a result, the successful identification of gold and background suppression was demonstrated. The highest FOM was observed at 125 kVp X-ray beam energy. The minimum detectable GNP concentration was determined to be approximately 1.06 μmol/mL (0.21 mg/mL) for an ideal detector and about 2.5 μmol/mL (0.49 mg/mL) for more realistic (12% FWHM) detector. The studies show the optimal imaging parameters at lowest patient dose using an energy resolved photon counting detector to image GNP in an atherosclerotic plaque. PMID:24334301

SU-F-T-84: Measurement and Monte-Carlo Simulation of Electron Phase Spaces Using a Wide Angle Magnetic Electron Spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Englbrecht, F; Lindner, F; Bin, J

2016-06-15

Purpose: To measure and simulate well-defined electron spectra using a linear accelerator and a permanent-magnetic wide-angle spectrometer to test the performance of a novel reconstruction algorithm for retrieval of unknown electron-sources, in view of application to diagnostics of laser-driven particle acceleration. Methods: Six electron energies (6, 9, 12, 15, 18 and 21 MeV, 40cm × 40cm field-size) delivered by a Siemens Oncor linear accelerator were recorded using a permanent-magnetic wide-angle electron spectrometer (150mT) with a one dimensional slit (0.2mm × 5cm). Two dimensional maps representing beam-energy and entrance-position along the slit were measured using different scintillating screens, read by anmore » online CMOS detector of high resolution (0.048mm × 0.048mm pixels) and large field of view (5cm × 10cm). Measured energy-slit position maps were compared to forward FLUKA simulations of electron transport through the spectrometer, starting from IAEA phase-spaces of the accelerator. The latter ones were validated against measured depth-dose and lateral profiles in water. Agreement of forward simulation and measurement was quantified in terms of position and shape of the signal distribution on the detector. Results: Measured depth-dose distributions and lateral profiles in the water phantom showed good agreement with forward simulations of IAEA phase-spaces, thus supporting usage of this simulation source in the study. Measured energy-slit position maps and those obtained by forward Monte-Carlo simulations showed satisfactory agreement in shape and position. Conclusion: Well-defined electron beams of known energy and shape will provide an ideal scenario to study the performance of a novel reconstruction algorithm using measured and simulated signal. Future work will increase the stability and convergence of the reconstruction-algorithm for unknown electron sources, towards final application to the electrons which drive the interaction of TW-class laser pulses with nanometer thin target foils to accelerate protons and ions to multi-MeV kinetic energy. Cluster of Excellence of the German Research Foundation (DFG) “Munich-Centre for Advanced Photonics”.« less

Surface analysis by means of high resolution energy loss spectroscopy of 180° elastic scattered protons in the 100 keV regime

NASA Astrophysics Data System (ADS)

Jun-ichi, Kanasaki; Noriaki, Matsunami; Noriaki, Itoh; Tomoki, Oku; Kensin, Kitoh; Masahiko, Aoki; Koji, Matsuda

1988-06-01

The design and computer simulation of the performance of a new ion-beam surface analyzer has been presented. The analyzer has the capability of analyzing the energy of ions incident at 100 keV and scattered by 180° at surfaces with a resolution of 5 eV. The analyzer consists of an ion source, an accelerating-decelerating tube and a multichannel analyzer. Computer simulation of the energy spectra of ions scattered from GaAs is reported.

Characterization of a long-focal-length polycapillary optic for high-energy x-rays

NASA Astrophysics Data System (ADS)

Cari, Padiyar; Suparmi, -; Padiyar, Sushil D.; Gibson, Walter M.; MacDonald, Carolyn A.; Alexander, Cheryl D.; Joy, Marshall K.; Russell, Christine H.; Chen, Zewu

2000-11-01

Polycapillary fibers and a prototype collector for high energy x rays with a 2 m focal length have been fabricated and characterized. Measurements of a prototype collector, performed in collimating mode, show that the optic has high transmission, good uniformity, and small exit divergence. The transmission as a function of energy was analyzed using an extended single fiber geometrical optic simulation and the result shows that the simulation fits the data fairly well. Scatter transmission and contrast enhancement were measured in focusing mode using a parallel beam input.

Weakly supervised classification in high energy physics

DOE PAGES

Dery, Lucio Mwinmaarong; Nachman, Benjamin; Rubbo, Francesco; ...

2017-05-01

As machine learning algorithms become increasingly sophisticated to exploit subtle features of the data, they often become more dependent on simulations. Here, this paper presents a new approach called weakly supervised classification in which class proportions are the only input into the machine learning algorithm. Using one of the most challenging binary classification tasks in high energy physics $-$ quark versus gluon tagging $-$ we show that weakly supervised classification can match the performance of fully supervised algorithms. Furthermore, by design, the new algorithm is insensitive to any mis-modeling of discriminating features in the data by the simulation. Weakly supervisedmore » classification is a general procedure that can be applied to a wide variety of learning problems to boost performance and robustness when detailed simulations are not reliable or not available.« less

Weakly supervised classification in high energy physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dery, Lucio Mwinmaarong; Nachman, Benjamin; Rubbo, Francesco

As machine learning algorithms become increasingly sophisticated to exploit subtle features of the data, they often become more dependent on simulations. Here, this paper presents a new approach called weakly supervised classification in which class proportions are the only input into the machine learning algorithm. Using one of the most challenging binary classification tasks in high energy physics $-$ quark versus gluon tagging $-$ we show that weakly supervised classification can match the performance of fully supervised algorithms. Furthermore, by design, the new algorithm is insensitive to any mis-modeling of discriminating features in the data by the simulation. Weakly supervisedmore » classification is a general procedure that can be applied to a wide variety of learning problems to boost performance and robustness when detailed simulations are not reliable or not available.« less

Comparison of Monte Carlo simulated and measured performance parameters of miniPET scanner

NASA Astrophysics Data System (ADS)

Kis, S. A.; Emri, M.; Opposits, G.; Bükki, T.; Valastyán, I.; Hegyesi, Gy.; Imrek, J.; Kalinka, G.; Molnár, J.; Novák, D.; Végh, J.; Kerek, A.; Trón, L.; Balkay, L.

2007-02-01

In vivo imaging of small laboratory animals is a valuable tool in the development of new drugs. For this purpose, miniPET, an easy to scale modular small animal PET camera has been developed at our institutes. The system has four modules, which makes it possible to rotate the whole detector system around the axis of the field of view. Data collection and image reconstruction are performed using a data acquisition (DAQ) module with Ethernet communication facility and a computer cluster of commercial PCs. Performance tests were carried out to determine system parameters, such as energy resolution, sensitivity and noise equivalent count rate. A modified GEANT4-based GATE Monte Carlo software package was used to simulate PET data analogous to those of the performance measurements. GATE was run on a Linux cluster of 10 processors (64 bit, Xeon with 3.0 GHz) and controlled by a SUN grid engine. The application of this special computer cluster reduced the time necessary for the simulations by an order of magnitude. The simulated energy spectra, maximum rate of true coincidences and sensitivity of the camera were in good agreement with the measured parameters.

Analytical Study on Multi-Tier 5G Heterogeneous Small Cell Networks: Coverage Performance and Energy Efficiency.

PubMed

Xiao, Zhu; Liu, Hongjing; Havyarimana, Vincent; Li, Tong; Wang, Dong

2016-11-04

In this paper, we investigate the coverage performance and energy efficiency of multi-tier heterogeneous cellular networks (HetNets) which are composed of macrocells and different types of small cells, i.e., picocells and femtocells. By virtue of stochastic geometry tools, we model the multi-tier HetNets based on a Poisson point process (PPP) and analyze the Signal to Interference Ratio (SIR) via studying the cumulative interference from pico-tier and femto-tier. We then derive the analytical expressions of coverage probabilities in order to evaluate coverage performance in different tiers and investigate how it varies with the small cells' deployment density. By taking the fairness and user experience into consideration, we propose a disjoint channel allocation scheme and derive the system channel throughput for various tiers. Further, we formulate the energy efficiency optimization problem for multi-tier HetNets in terms of throughput performance and resource allocation fairness. To solve this problem, we devise a linear programming based approach to obtain the available area of the feasible solutions. System-level simulations demonstrate that the small cells' deployment density has a significant effect on the coverage performance and energy efficiency. Simulation results also reveal that there exits an optimal small cell base station (SBS) density ratio between pico-tier and femto-tier which can be applied to maximize the energy efficiency and at the same time enhance the system performance. Our findings provide guidance for the design of multi-tier HetNets for improving the coverage performance as well as the energy efficiency.

Analytical Study on Multi-Tier 5G Heterogeneous Small Cell Networks: Coverage Performance and Energy Efficiency

PubMed Central

Xiao, Zhu; Liu, Hongjing; Havyarimana, Vincent; Li, Tong; Wang, Dong

2016-01-01

In this paper, we investigate the coverage performance and energy efficiency of multi-tier heterogeneous cellular networks (HetNets) which are composed of macrocells and different types of small cells, i.e., picocells and femtocells. By virtue of stochastic geometry tools, we model the multi-tier HetNets based on a Poisson point process (PPP) and analyze the Signal to Interference Ratio (SIR) via studying the cumulative interference from pico-tier and femto-tier. We then derive the analytical expressions of coverage probabilities in order to evaluate coverage performance in different tiers and investigate how it varies with the small cells’ deployment density. By taking the fairness and user experience into consideration, we propose a disjoint channel allocation scheme and derive the system channel throughput for various tiers. Further, we formulate the energy efficiency optimization problem for multi-tier HetNets in terms of throughput performance and resource allocation fairness. To solve this problem, we devise a linear programming based approach to obtain the available area of the feasible solutions. System-level simulations demonstrate that the small cells’ deployment density has a significant effect on the coverage performance and energy efficiency. Simulation results also reveal that there exits an optimal small cell base station (SBS) density ratio between pico-tier and femto-tier which can be applied to maximize the energy efficiency and at the same time enhance the system performance. Our findings provide guidance for the design of multi-tier HetNets for improving the coverage performance as well as the energy efficiency. PMID:27827917

Influence of photon energy cuts on PET Monte Carlo simulation results.

PubMed

Mitev, Krasimir; Gerganov, Georgi; Kirov, Assen S; Schmidtlein, C Ross; Madzhunkov, Yordan; Kawrakow, Iwan

2012-07-01

The purpose of this work is to study the influence of photon energy cuts on the results of positron emission tomography (PET) Monte Carlo (MC) simulations. MC simulations of PET scans of a box phantom and the NEMA image quality phantom are performed for 32 photon energy cut values in the interval 0.3-350 keV using a well-validated numerical model of a PET scanner. The simulations are performed with two MC codes, egs_pet and GEANT4 Application for Tomographic Emission (GATE). The effect of photon energy cuts on the recorded number of singles, primary, scattered, random, and total coincidences as well as on the simulation time and noise-equivalent count rate is evaluated by comparing the results for higher cuts to those for 1 keV cut. To evaluate the effect of cuts on the quality of reconstructed images, MC generated sinograms of PET scans of the NEMA image quality phantom are reconstructed with iterative statistical reconstruction. The effects of photon cuts on the contrast recovery coefficients and on the comparison of images by means of commonly used similarity measures are studied. For the scanner investigated in this study, which uses bismuth germanate crystals, the transport of Bi X(K) rays must be simulated in order to obtain unbiased estimates for the number of singles, true, scattered, and random coincidences as well as for an unbiased estimate of the noise-equivalent count rate. Photon energy cuts higher than 170 keV lead to absorption of Compton scattered photons and strongly increase the number of recorded coincidences of all types and the noise-equivalent count rate. The effect of photon cuts on the reconstructed images and the similarity measures used for their comparison is statistically significant for very high cuts (e.g., 350 keV). The simulation time decreases slowly with the increase of the photon cut. The simulation of the transport of characteristic x rays plays an important role, if an accurate modeling of a PET scanner system is to be achieved. The simulation time decreases slowly with the increase of the cut which, combined with the accuracy loss at high cuts, means that the usage of high photon energy cuts is not recommended for the acceleration of MC simulations.

Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations.

PubMed

Liu, Kai; Watanabe, Etsurou; Kokubo, Hironori

2017-02-01

The binding mode prediction is of great importance to structure-based drug design. The discrimination of various binding poses of ligand generated by docking is a great challenge not only to docking score functions but also to the relatively expensive free energy calculation methods. Here we systematically analyzed the stability of various ligand poses under molecular dynamics (MD) simulation. First, a data set of 120 complexes was built based on the typical physicochemical properties of drug-like ligands. Three potential binding poses (one correct pose and two decoys) were selected for each ligand from self-docking in addition to the experimental pose. Then, five independent MD simulations for each pose were performed with different initial velocities for the statistical analysis. Finally, the stabilities of ligand poses under MD were evaluated and compared with the native one from crystal structure. We found that about 94% of the native poses were maintained stable during the simulations, which suggests that MD simulations are accurate enough to judge most experimental binding poses as stable properly. Interestingly, incorrect decoy poses were maintained much less and 38-44% of decoys could be excluded just by performing equilibrium MD simulations, though 56-62% of decoys were stable. The computationally-heavy binding free energy calculation can be performed only for these survived poses.

Development of a Residential Ground-Source Integrated Heat Pump

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rice, C Keith; Baxter, Van D; Hern, Shawn

2013-01-01

A residential-size ground-source integrated heat pump (GSIHP) system has been developed and is currently being field tested. The system is a nominal 2-ton (7 kW) cooling capacity, variable-speed unit, which is multi-functional, e.g. space cooling, space heating, dedicated water heating, and simultaneous space cooling and water heating. High-efficiency brushless permanent-magnet (BPM) motors are used for the compressor, indoor blower, and pumps to obtain the highest component performance and system control flexibility. Laboratory test data were used to calibrate a vapor-compression simulation model (HPDM) for each of the four primary modes of operation. The model was used to optimize the internalmore » control options and to simulate the selected internal control strategies, such as controlling to a constant air supply temperature in the space heating mode and a fixed water temperature rise in water heating modes. Equipment performance maps were generated for each operation mode as functions of all independent variables for use in TRNSYS annual energy simulations. These were performed for the GSIHP installed in a well-insulated 2600 ft2(242 m2) house and connected to a vertical ground loop heat exchanger(GLHE). We selected a 13 SEER (3.8 CSPF )/7.7 HSPF (2.3 HSPF, W/W) ASHP unit with 0.90 Energy Factor (EF) resistance water heater as the baseline for energy savings comparisons. The annual energy simulations were conducted over five US climate zones. In addition, appropriate ground loop sizes were determined for each location to meet 10-year minimum and maximum design entering water temperatures (EWTs) to the equipment. The prototype GSIHP system was predicted to use 52 to 59% less energy than the baseline system while meeting total annual space conditioning and water heating loads.« less

Synchronous Firefly Algorithm for Cluster Head Selection in WSN.

PubMed

Baskaran, Madhusudhanan; Sadagopan, Chitra

2015-01-01

Wireless Sensor Network (WSN) consists of small low-cost, low-power multifunctional nodes interconnected to efficiently aggregate and transmit data to sink. Cluster-based approaches use some nodes as Cluster Heads (CHs) and organize WSNs efficiently for aggregation of data and energy saving. A CH conveys information gathered by cluster nodes and aggregates/compresses data before transmitting it to a sink. However, this additional responsibility of the node results in a higher energy drain leading to uneven network degradation. Low Energy Adaptive Clustering Hierarchy (LEACH) offsets this by probabilistically rotating cluster heads role among nodes with energy above a set threshold. CH selection in WSN is NP-Hard as optimal data aggregation with efficient energy savings cannot be solved in polynomial time. In this work, a modified firefly heuristic, synchronous firefly algorithm, is proposed to improve the network performance. Extensive simulation shows the proposed technique to perform well compared to LEACH and energy-efficient hierarchical clustering. Simulations show the effectiveness of the proposed method in decreasing the packet loss ratio by an average of 9.63% and improving the energy efficiency of the network when compared to LEACH and EEHC.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mittal, Sparsh; Zhang, Zhao; Vetter, Jeffrey S

Recent trends of CMOS scaling and use of large last level caches (LLCs) have led to significant increase in the leakage energy consumption of LLCs and hence, managing their energy consumption has become extremely important in modern processor design. The conventional cache energy saving techniques require offline profiling or provide only coarse granularity of cache allocation. We present FlexiWay, a cache energy saving technique which uses dynamic cache reconfiguration. FlexiWay logically divides the cache sets into multiple (e.g. 16) modules and dynamically turns off suitable and possibly different number of cache ways in each module. FlexiWay has very small implementationmore » overhead and it provides fine-grain cache allocation even with caches of typical associativity, e.g. an 8-way cache. Microarchitectural simulations have been performed using an x86-64 simulator and workloads from SPEC2006 suite. Also, FlexiWay has been compared with two conventional energy saving techniques. The results show that FlexiWay provides largest energy saving and incurs only small loss in performance. For single, dual and quad core systems, the average energy saving using FlexiWay are 26.2%, 25.7% and 22.4%, respectively.« less

Freight Transportation Energy Use : Appendix. Transportation Network Model Output.

DOT National Transportation Integrated Search

1978-07-01

The overall design of the TSC Freight Energy Model is presented. A hierarchical modeling strategy is used, in which detailed modal simulators estimate the performance characteristics of transportation network elements, and the estimates are input to ...

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

Design and Simulations of an Energy Harvesting Capable CMOS Pixel for Implantable Retinal Prosthesis

NASA Astrophysics Data System (ADS)

Ansaripour, Iman; Karami, Mohammad Azim

2017-12-01

A new pixel is designed with the capability of imaging and energy harvesting for the retinal prosthesis implant in 0.18 µm standard Complementary Metal Oxide Semiconductor technology. The pixel conversion gain and dynamic range, are 2.05 \\upmu{{V}}/{{e}}^{ - } and 63.2 dB. The power consumption 53.12 pW per pixel while energy harvesting performance is 3.87 nW in 60 klx of illuminance per pixel. These results have been obtained using post layout simulation. In the proposed pixel structure, the high power production capability in energy harvesting mode covers the demanded energy by using all available p-n junction photo generated currents.

Load Balancing Integrated Least Slack Time-Based Appliance Scheduling for Smart Home Energy Management

PubMed Central

Silva, Bhagya Nathali; Khan, Murad; Han, Kijun

2018-01-01

The emergence of smart devices and smart appliances has highly favored the realization of the smart home concept. Modern smart home systems handle a wide range of user requirements. Energy management and energy conservation are in the spotlight when deploying sophisticated smart homes. However, the performance of energy management systems is highly influenced by user behaviors and adopted energy management approaches. Appliance scheduling is widely accepted as an effective mechanism to manage domestic energy consumption. Hence, we propose a smart home energy management system that reduces unnecessary energy consumption by integrating an automated switching off system with load balancing and appliance scheduling algorithm. The load balancing scheme acts according to defined constraints such that the cumulative energy consumption of the household is managed below the defined maximum threshold. The scheduling of appliances adheres to the least slack time (LST) algorithm while considering user comfort during scheduling. The performance of the proposed scheme has been evaluated against an existing energy management scheme through computer simulation. The simulation results have revealed a significant improvement gained through the proposed LST-based energy management scheme in terms of cost of energy, along with reduced domestic energy consumption facilitated by an automated switching off mechanism. PMID:29495346

Atmospheric stability effects on wind farm performance using large-eddy simulation

NASA Astrophysics Data System (ADS)

Archer, C. L.; Ghaisas, N.; Xie, S.

2014-12-01

Atmospheric stability has been recently found to have significant impacts on wind farm performance, especially since offshore and onshore wind farms are known to operate often under non-neutral conditions. Recent field observations have revealed that changes in stability are accompanied by changes in wind speed, direction, and turbulent kinetic energy (TKE). In order to isolate the effects of stability, large-eddy simulations (LES) are performed under neutral, stable, and unstable conditions, keeping the wind speed and direction unchanged at a fixed height. The Lillgrund wind farm, comprising of 48 turbines, is studied in this research with the Simulator for Offshore/Onshore Wind Farm Applications (SOWFA) developed by the National Renewable Energy Laboratory. Unlike most previous numerical simulations, this study does not impose periodic boundary conditions and therefore is ideal for evaluating the effects of stability in large, but finite, wind farms. Changes in power generation, velocity deficit, rate of wake recovery, TKE, and surface temperature are quantified as a function of atmospheric stability. The sensitivity of these results to wind direction is also discussed.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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 Conductionmore » Finite Difference (CondFD) algorithms.« less

Understanding GPU Power. A Survey of Profiling, Modeling, and Simulation Methods

DOE PAGES

Bridges, Robert A.; Imam, Neena; Mintz, Tiffany M.

2016-09-01

Modern graphics processing units (GPUs) have complex architectures that admit exceptional performance and energy efficiency for high throughput applications.Though GPUs consume large amounts of power, their use for high throughput applications facilitate state-of-the-art energy efficiency and performance. Consequently, continued development relies on understanding their power consumption. Our work is a survey of GPU power modeling and profiling methods with increased detail on noteworthy efforts. Moreover, as direct measurement of GPU power is necessary for model evaluation and parameter initiation, internal and external power sensors are discussed. Hardware counters, which are low-level tallies of hardware events, share strong correlation to powermore » use and performance. Statistical correlation between power and performance counters has yielded worthwhile GPU power models, yet the complexity inherent to GPU architectures presents new hurdles for power modeling. Developments and challenges of counter-based GPU power modeling is discussed. Often building on the counter-based models, research efforts for GPU power simulation, which make power predictions from input code and hardware knowledge, provide opportunities for optimization in programming or architectural design. Noteworthy strides in power simulations for GPUs are included along with their performance or functional simulator counterparts when appropriate. Lastly, possible directions for future research are discussed.« less

Understanding GPU Power. A Survey of Profiling, Modeling, and Simulation Methods

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bridges, Robert A.; Imam, Neena; Mintz, Tiffany M.

Modern graphics processing units (GPUs) have complex architectures that admit exceptional performance and energy efficiency for high throughput applications.Though GPUs consume large amounts of power, their use for high throughput applications facilitate state-of-the-art energy efficiency and performance. Consequently, continued development relies on understanding their power consumption. Our work is a survey of GPU power modeling and profiling methods with increased detail on noteworthy efforts. Moreover, as direct measurement of GPU power is necessary for model evaluation and parameter initiation, internal and external power sensors are discussed. Hardware counters, which are low-level tallies of hardware events, share strong correlation to powermore » use and performance. Statistical correlation between power and performance counters has yielded worthwhile GPU power models, yet the complexity inherent to GPU architectures presents new hurdles for power modeling. Developments and challenges of counter-based GPU power modeling is discussed. Often building on the counter-based models, research efforts for GPU power simulation, which make power predictions from input code and hardware knowledge, provide opportunities for optimization in programming or architectural design. Noteworthy strides in power simulations for GPUs are included along with their performance or functional simulator counterparts when appropriate. Lastly, possible directions for future research are discussed.« less

High-Performance First-Principles Molecular Dynamics for Predictive Theory and Modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gygi, Francois; Galli, Giulia; Schwegler, Eric

This project focused on developing high-performance software tools for First-Principles Molecular Dynamics (FPMD) simulations, and applying them in investigations of materials relevant to energy conversion processes. FPMD is an atomistic simulation method that combines a quantum-mechanical description of electronic structure with the statistical description provided by molecular dynamics (MD) simulations. This reliance on fundamental principles allows FPMD simulations to provide a consistent description of structural, dynamical and electronic properties of a material. This is particularly useful in systems for which reliable empirical models are lacking. FPMD simulations are increasingly used as a predictive tool for applications such as batteries, solarmore » energy conversion, light-emitting devices, electro-chemical energy conversion devices and other materials. During the course of the project, several new features were developed and added to the open-source Qbox FPMD code. The code was further optimized for scalable operation of large-scale, Leadership-Class DOE computers. When combined with Many-Body Perturbation Theory (MBPT) calculations, this infrastructure was used to investigate structural and electronic properties of liquid water, ice, aqueous solutions, nanoparticles and solid-liquid interfaces. Computing both ionic trajectories and electronic structure in a consistent manner enabled the simulation of several spectroscopic properties, such as Raman spectra, infrared spectra, and sum-frequency generation spectra. The accuracy of the approximations used allowed for direct comparisons of results with experimental data such as optical spectra, X-ray and neutron diffraction spectra. The software infrastructure developed in this project, as applied to various investigations of solids, liquids and interfaces, demonstrates that FPMD simulations can provide a detailed, atomic-scale picture of structural, vibrational and electronic properties of complex systems relevant to energy conversion devices.« less

Modelling impacts of performance on the probability of reproducing, and thereby on productive lifespan, allow prediction of lifetime efficiency in dairy cows.

PubMed

Phuong, H N; Blavy, P; Martin, O; Schmidely, P; Friggens, N C

2016-01-01

Reproductive success is a key component of lifetime efficiency - which is the ratio of energy in milk (MJ) to energy intake (MJ) over the lifespan, of cows. At the animal level, breeding and feeding management can substantially impact milk yield, body condition and energy balance of cows, which are known as major contributors to reproductive failure in dairy cattle. This study extended an existing lifetime performance model to incorporate the impacts that performance changes due to changing breeding and feeding strategies have on the probability of reproducing and thereby on the productive lifespan, and thus allow the prediction of a cow's lifetime efficiency. The model is dynamic and stochastic, with an individual cow being the unit modelled and one day being the unit of time. To evaluate the model, data from a French study including Holstein and Normande cows fed high-concentrate diets and data from a Scottish study including Holstein cows selected for high and average genetic merit for fat plus protein that were fed high- v. low-concentrate diets were used. Generally, the model consistently simulated productive and reproductive performance of various genotypes of cows across feeding systems. In the French data, the model adequately simulated the reproductive performance of Holsteins but significantly under-predicted that of Normande cows. In the Scottish data, conception to first service was comparably simulated, whereas interval traits were slightly under-predicted. Selection for greater milk production impaired the reproductive performance and lifespan but not lifetime efficiency. The definition of lifetime efficiency used in this model did not include associated costs or herd-level effects. Further works should include such economic indicators to allow more accurate simulation of lifetime profitability in different production scenarios.

Performance of photon reconstruction and identification with the CMS detector in proton-proton collisions at √s = 8 TeV

DOE PAGES

Khachatryan, Vardan

2015-08-10

A description is provided of the performance of the CMS detector for photon reconstruction and identification in proton-proton collisions at a centre-of-mass energy of 8 TeV at the CERN LHC. Details are given on the reconstruction of photons from energy deposits in the electromagnetic calorimeter (ECAL) and the extraction of photon energy estimates. Furthermore, the reconstruction of electron tracks from photons that convert to electrons in the CMS tracker is also described, as is the optimization of the photon energy reconstruction and its accurate modelling in simulation, in the analysis of the Higgs boson decay into two photons. In themore » barrel section of the ECAL, an energy resolution of about 1% is achieved for unconverted or late-converting photons from H → γγ decays. Furthermore, different photon identification methods are discussed and their corresponding selection efficiencies in data are compared with those found in simulated events.« less

Demonstration of EnergyNest thermal energy storage (TES) technology

NASA Astrophysics Data System (ADS)

Hoivik, Nils; Greiner, Christopher; Tirado, Eva Bellido; Barragan, Juan; Bergan, Pâl; Skeie, Geir; Blanco, Pablo; Calvet, Nicolas

2017-06-01

This paper presents the experimental results from the EnergyNest 2 × 500 kWhth thermal energy storage (TES) pilot system installed at Masdar Institute of Science & Technology Solar Platform. Measured data are shown and compared to simulations using a specially developed computer program to verify the stability and performance of the TES. The TES is based on a solid-state concrete storage medium (HEATCRETE®) with integrated steel tube heat exchangers cast into the concrete. The unique concrete recipe used in the TES has been developed in collaboration with Heidelberg Cement; this material has significantly higher thermal conductivity compared to regular concrete implying very effective heat transfer, at the same time being chemically stable up to 450 °C. The demonstrated and measured performance of the TES matches the predictions based on simulations, and proves the operational feasibility of the EnergyNest concrete-based TES. A further case study is analyzed where a large-scale TES system presented in this article is compared to two-tank indirect molten salt technology.

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).

Optimal control of energy extraction in LES of large wind farms

NASA Astrophysics Data System (ADS)

Meyers, Johan; Goit, Jay; Munters, Wim

2014-11-01

We investigate the use of optimal control combined with Large-Eddy Simulations (LES) of wind-farm boundary layer interaction for the increase of total energy extraction in very large ``infinite'' wind farms and in finite farms. We consider the individual wind turbines as flow actuators, whose energy extraction can be dynamically regulated in time so as to optimally influence the turbulent flow field, maximizing the wind farm power. For the simulation of wind-farm boundary layers we use large-eddy simulations in combination with an actuator-disk representation of wind turbines. Simulations are performed in our in-house pseudo-spectral code SP-Wind. For the optimal control study, we consider the dynamic control of turbine-thrust coefficients in the actuator-disk model. They represent the effect of turbine blades that can actively pitch in time, changing the lift- and drag coefficients of the turbine blades. In a first infinite wind-farm case, we find that farm power is increases by approximately 16% over one hour of operation. This comes at the cost of a deceleration of the outer layer of the boundary layer. A detailed analysis of energy balances is presented, and a comparison is made between infinite and finite farm cases, for which boundary layer entrainment plays an import role. The authors acknowledge support from the European Research Council (FP7-Ideas, Grant No. 306471). Simulations were performed on the computing infrastructure of the VSC Flemish Supercomputer Center, funded by the Hercules Foundation and the Flemish Govern.

Development and application of incrementally complex tools for wind turbine aerodynamics

NASA Astrophysics Data System (ADS)

Gundling, Christopher H.

Advances and availability of computational resources have made wind farm design using simulation tools a reality. Wind farms are battling two issues, affecting the cost of energy, that will make or break many future investments in wind energy. The most significant issue is the power reduction of downstream turbines operating in the wake of upstream turbines. The loss of energy from wind turbine wakes is difficult to predict and the underestimation of energy losses due to wakes has been a common problem throughout the industry. The second issue is a shorter lifetime of blades and past failures of gearboxes due to increased fluctuations in the unsteady loading of waked turbines. The overall goal of this research is to address these problems by developing a platform for a multi-fidelity wind turbine aerodynamic performance and wake prediction tool. Full-scale experiments in the field have dramatically helped researchers understand the unique issues inside a large wind farm, but experimental methods can only be used to a limited extent due to the cost of such field studies and the size of wind farms. The uncertainty of the inflow is another inherent drawback of field experiments. Therefore, computational fluid dynamics (CFD) predictions, strategically validated using carefully performed wind farm field campaigns, are becoming a more standard design practice. The developed CFD models include a blade element model (BEM) code with a free-vortex wake, an actuator disk or line based method with large eddy simulations (LES) and a fully resolved rotor based method with detached eddy simulations (DES) and adaptive mesh refinement (AMR). To create more realistic simulations, performance of a one-way coupling between different mesoscale atmospheric boundary layer (ABL) models and the three microscale CFD solvers is tested. These methods are validated using data from incrementally complex test cases that include the NREL Phase VI wind tunnel test, the Sexbierum wind farm and the Lillgrund offshore wind farm. By cross-comparing the lowest complexity free-vortex method with the higher complexity methods, a fast and accurate simulation tool has been generated that can perform wind farm simulations in a few hours.

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turinsky, Paul J., E-mail: turinsky@ncsu.edu; Kothe, Douglas B., E-mail: kothe@ornl.gov

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear powermore » industry that M&S can assist in addressing. To date CASL has developed a multi-physics “core simulator” based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry. - Highlights: • Complexity of physics based modeling of light water reactor cores being addressed. • Capability developed to help address problems that have challenged the nuclear power industry. • Simulation capabilities that take advantage of high performance computing developed.« less

On the Subgrid-Scale Modeling of Compressible Turbulence

NASA Technical Reports Server (NTRS)

Squires, Kyle; Zeman, Otto

1990-01-01

A new sub-grid scale model is presented for the large-eddy simulation of compressible turbulence. In the proposed model, compressibility contributions have been incorporated in the sub-grid scale eddy viscosity which, in the incompressible limit, reduce to a form originally proposed by Smagorinsky (1963). The model has been tested against a simple extension of the traditional Smagorinsky eddy viscosity model using simulations of decaying, compressible homogeneous turbulence. Simulation results show that the proposed model provides greater dissipation of the compressive modes of the resolved-scale velocity field than does the Smagorinsky eddy viscosity model. For an initial r.m.s. turbulence Mach number of 1.0, simulations performed using the Smagorinsky model become physically unrealizable (i.e., negative energies) because of the inability of the model to sufficiently dissipate fluctuations due to resolved scale velocity dilations. The proposed model is able to provide the necessary dissipation of this energy and maintain the realizability of the flow. Following Zeman (1990), turbulent shocklets are considered to dissipate energy independent of the Kolmogorov energy cascade. A possible parameterization of dissipation by turbulent shocklets for Large-Eddy Simulation is also presented.

Modeling and simulation challenges pursued by the Consortium for Advanced Simulation of Light Water Reactors (CASL)

NASA Astrophysics Data System (ADS)

Turinsky, Paul J.; Kothe, Douglas B.

2016-05-01

The Consortium for the Advanced Simulation of Light Water Reactors (CASL), the first Energy Innovation Hub of the Department of Energy, was established in 2010 with the goal of providing modeling and simulation (M&S) capabilities that support and accelerate the improvement of nuclear energy's economic competitiveness and the reduction of spent nuclear fuel volume per unit energy, and all while assuring nuclear safety. To accomplish this requires advances in M&S capabilities in radiation transport, thermal-hydraulics, fuel performance and corrosion chemistry. To focus CASL's R&D, industry challenge problems have been defined, which equate with long standing issues of the nuclear power industry that M&S can assist in addressing. To date CASL has developed a multi-physics ;core simulator; based upon pin-resolved radiation transport and subchannel (within fuel assembly) thermal-hydraulics, capitalizing on the capabilities of high performance computing. CASL's fuel performance M&S capability can also be optionally integrated into the core simulator, yielding a coupled multi-physics capability with untapped predictive potential. Material models have been developed to enhance predictive capabilities of fuel clad creep and growth, along with deeper understanding of zirconium alloy clad oxidation and hydrogen pickup. Understanding of corrosion chemistry (e.g., CRUD formation) has evolved at all scales: micro, meso and macro. CFD R&D has focused on improvement in closure models for subcooled boiling and bubbly flow, and the formulation of robust numerical solution algorithms. For multiphysics integration, several iterative acceleration methods have been assessed, illuminating areas where further research is needed. Finally, uncertainty quantification and data assimilation techniques, based upon sampling approaches, have been made more feasible for practicing nuclear engineers via R&D on dimensional reduction and biased sampling. Industry adoption of CASL's evolving M&S capabilities, which is in progress, will assist in addressing long-standing and future operational and safety challenges of the nuclear industry.

Experiments and Dynamic Finite Element Analysis of a Wire-Rope Rockfall Protective Fence

NASA Astrophysics Data System (ADS)

Tran, Phuc Van; Maegawa, Koji; Fukada, Saiji

2013-09-01

The imperative need to protect structures in mountainous areas against rockfall has led to the development of various protection methods. This study introduces a new type of rockfall protection fence made of posts, wire ropes, wire netting and energy absorbers. The performance of this rock fence was verified in both experiments and dynamic finite element analysis. In collision tests, a reinforced-concrete block rolled down a natural slope and struck the rock fence at the end of the slope. A specialized system of measuring instruments was employed to accurately measure the acceleration of the block without cable connection. In particular, the performance of two energy absorbers, which contribute also to preventing wire ropes from breaking, was investigated to determine the best energy absorber. In numerical simulation, a commercial finite element code having explicit dynamic capabilities was employed to create models of the two full-scale tests. To facilitate simulation, certain simplifying assumptions for mechanical data of each individual component of the rock fence and geometrical data of the model were adopted. Good agreement between numerical simulation and experimental data validated the numerical simulation. Furthermore, the results of numerical simulation helped highlight limitations of the testing method. The results of numerical simulation thus provide a deeper understanding of the structural behavior of individual components of the rock fence during rockfall impact. More importantly, numerical simulations can be used not only as supplements to or substitutes for full-scale tests but also in parametric study and design.

Chevron: Refinery Identifies $4.4 Million in Annual Savings by Using Process Simulation Models to Perform Energy-Efficiency Assessment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

2004-05-01

In an energy-efficiency study at its refinery near Salt Lake City, Utah, Chevron focused on light hydrocarbons processing. The company found it could recover hydrocarbons from its fuel gas system and sell them. By using process simulation models of special distillation columns and associated reboilers and condensers, Chevron could predict the performance of potential equipment configuration changes and process modifications. More than 25,000 MMBtu in natural gas could be saved annually if a debutanizer upgrade project and a new saturated gas plant project were completed. Together, these projects would save $4.4 million annually.

Nonlinear vs. linear biasing in Trp-cage folding simulations

NASA Astrophysics Data System (ADS)

Spiwok, Vojtěch; Oborský, Pavel; Pazúriková, Jana; Křenek, Aleš; Králová, Blanka

2015-03-01

Biased simulations have great potential for the study of slow processes, including protein folding. Atomic motions in molecules are nonlinear, which suggests that simulations with enhanced sampling of collective motions traced by nonlinear dimensionality reduction methods may perform better than linear ones. In this study, we compare an unbiased folding simulation of the Trp-cage miniprotein with metadynamics simulations using both linear (principle component analysis) and nonlinear (Isomap) low dimensional embeddings as collective variables. Folding of the mini-protein was successfully simulated in 200 ns simulation with linear biasing and non-linear motion biasing. The folded state was correctly predicted as the free energy minimum in both simulations. We found that the advantage of linear motion biasing is that it can sample a larger conformational space, whereas the advantage of nonlinear motion biasing lies in slightly better resolution of the resulting free energy surface. In terms of sampling efficiency, both methods are comparable.

Nonlinear vs. linear biasing in Trp-cage folding simulations.

PubMed

Spiwok, Vojtěch; Oborský, Pavel; Pazúriková, Jana; Křenek, Aleš; Králová, Blanka

2015-03-21

Biased simulations have great potential for the study of slow processes, including protein folding. Atomic motions in molecules are nonlinear, which suggests that simulations with enhanced sampling of collective motions traced by nonlinear dimensionality reduction methods may perform better than linear ones. In this study, we compare an unbiased folding simulation of the Trp-cage miniprotein with metadynamics simulations using both linear (principle component analysis) and nonlinear (Isomap) low dimensional embeddings as collective variables. Folding of the mini-protein was successfully simulated in 200 ns simulation with linear biasing and non-linear motion biasing. The folded state was correctly predicted as the free energy minimum in both simulations. We found that the advantage of linear motion biasing is that it can sample a larger conformational space, whereas the advantage of nonlinear motion biasing lies in slightly better resolution of the resulting free energy surface. In terms of sampling efficiency, both methods are comparable.

Performance characteristics of a thermal energy storage module - A transient PCM/forced convection conjugate analysis

NASA Technical Reports Server (NTRS)

Cao, Y.; Faghri, A.

1991-01-01

The performance of a thermal energy storage module is simulated numerically. The change of phase of the phase-change material (PCM) and the transient forced convective heat transfer for the transfer fluid with low Prandtl numbers are solved simultaneously as a conjugate problem. A parametric study and a system optimization are conducted. The numerical results show that module geometry is crucial to the design of a space-based thermal energy storage system.

Simulation model for wind energy storage systems. Volume II. Operation manual. [SIMWEST code

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

1977-08-01

The effort developed a comprehensive computer program for the modeling of wind energy/storage systems utilizing any combination of five types of storage (pumped hydro, battery, thermal, flywheel and pneumatic). An acronym for the program is SIMWEST (Simulation Model for Wind Energy Storage). The level of detail of 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. Volume II, the SIMWEST operation manual, describes the usage of the SIMWEST program, the designmore » of the library components, and a number of simple example simulations intended to familiarize the user with the program's operation. Volume II also contains a listing of each SIMWEST library subroutine.« less

Clocked Magnetostriction-Assisted Spintronic Device Design and Simulation

NASA Astrophysics Data System (ADS)

Mousavi Iraei, Rouhollah; Kani, Nickvash; Dutta, Sourav; Nikonov, Dmitri E.; Manipatruni, Sasikanth; Young, Ian A.; Heron, John T.; Naeemi, Azad

2018-05-01

We propose a heterostructure device comprised of magnets and piezoelectrics that significantly improves the delay and the energy dissipation of an all-spin logic (ASL) device. This paper studies and models the physics of the device, illustrates its operation, and benchmarks its performance using SPICE simulations. We show that the proposed device maintains low voltage operation, non-reciprocity, non-volatility, cascadability, and thermal reliability of the original ASL device. Moreover, by utilizing the deterministic switching of a magnet from the saddle point of the energy profile, the device is more efficient in terms of energy and delay and is robust to thermal fluctuations. The results of simulations show that compared to ASL devices, the proposed device achieves 21x shorter delay and 27x lower energy dissipation per bit for a 32-bit arithmetic-logic unit (ALU).

Distribution system simulator

NASA Technical Reports Server (NTRS)

Bahrami, K. A.; Kirkham, H.; Rahman, S.

1986-01-01

In a series of tests performed under the Department of Energy auspices, power line carrier propagation was observed to be anomalous under certain circumstances. To investigate the cause, a distribution system simulator was constructed. The simulator was a physical simulator that accurately represented the distribution system from below power frequency to above 50 kHz. Effects such as phase-to-phase coupling and skin effect were modeled. Construction details of the simulator, and experimental results from its use are presented.

Development of a calculation method for estimating specific energy distribution in complex radiation fields.

PubMed

Sato, Tatsuhiko; Watanabe, Ritsuko; Niita, Koji

2006-01-01

Estimation of the specific energy distribution in a human body exposed to complex radiation fields is of great importance in the planning of long-term space missions and heavy ion cancer therapies. With the aim of developing a tool for this estimation, the specific energy distributions in liquid water around the tracks of several HZE particles with energies up to 100 GeV n(-1) were calculated by performing track structure simulation with the Monte Carlo technique. In the simulation, the targets were assumed to be spherical sites with diameters from 1 nm to 1 microm. An analytical function to reproduce the simulation results was developed in order to predict the distributions of all kinds of heavy ions over a wide energy range. The incorporation of this function into the Particle and Heavy Ion Transport code System (PHITS) enables us to calculate the specific energy distributions in complex radiation fields in a short computational time.

Route complexity and simulated physical ageing negatively influence wayfinding.

PubMed

Zijlstra, Emma; Hagedoorn, Mariët; Krijnen, Wim P; van der Schans, Cees P; Mobach, Mark P

2016-09-01

The aim of this age-simulation field experiment was to assess the influence of route complexity and physical ageing on wayfinding. Seventy-five people (aged 18-28) performed a total of 108 wayfinding tasks (i.e., 42 participants performed two wayfinding tasks and 33 performed one wayfinding task), of which 59 tasks were performed wearing gerontologic ageing suits. Outcome variables were wayfinding performance (i.e., efficiency and walking speed) and physiological outcomes (i.e., heart and respiratory rates). Analysis of covariance showed that persons on more complex routes (i.e., more floor and building changes) walked less efficiently than persons on less complex routes. In addition, simulated elderly participants perform worse in wayfinding than young participants in terms of speed (p < 0.001). Moreover, a linear mixed model showed that simulated elderly persons had higher heart rates and respiratory rates compared to young people during a wayfinding task, suggesting that simulated elderly consumed more energy during this task. Copyright © 2016 Elsevier Ltd. All rights reserved.

Freight Transportation Energy Use : Volume 1. Summary and Baseline Results.

DOT National Transportation Integrated Search

1978-07-01

The overall design of the TSC Freight Energy Model is presented. A hierarchical modeling strategy is used, in which detailed modal simulators estimate the performance characteristics of transportation network elements, and the estimates are input to ...

Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations.

PubMed

Zhang, Yuxin; Huang, Xiaoqin; Han, Keli; Zheng, Fang; Zhan, Chang-Guo

2016-11-25

The combined molecular dynamics (MD) and potential of mean force (PMF) simulations have been performed to determine the free energy profile of the CocE)-(+)-cocaine binding process in comparison with that of the corresponding CocE-(-)-cocaine binding process. According to the MD simulations, the equilibrium CocE-(+)-cocaine binding mode is similar to the CocE-(-)-cocaine binding mode. However, based on the simulated free energy profiles, a significant free energy barrier (∼5 kcal/mol) exists in the CocE-(+)-cocaine binding process whereas no obvious free energy barrier exists in the CocE-(-)-cocaine binding process, although the free energy barrier of ∼5 kcal/mol is not high enough to really slow down the CocE-(+)-cocaine binding process. In addition, the obtained free energy profiles also demonstrate that (+)-cocaine and (-)-cocaine have very close binding free energies with CocE, with a negligible difference (∼0.2 kcal/mol), which is qualitatively consistent with the nearly same experimental K M values of the CocE enzyme for (+)-cocaine and (-)-cocaine. The consistency between the computational results and available experimental data suggests that the mechanistic insights obtained from this study are reasonable. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Study on the application of NASA energy management techniques for control of a terrestrial solar water heating system

NASA Technical Reports Server (NTRS)

Swanson, T. D.; Ollendorf, S.

1979-01-01

This paper addresses the potential for enhanced solar system performance through sophisticated control of the collector loop flow rate. Computer simulations utilizing the TRNSYS solar energy program were performed to study the relative effect on system performance of eight specific control algorithms. Six of these control algorithms are of the proportional type: two are concave exponentials, two are simple linear functions, and two are convex exponentials. These six functions are typical of what might be expected from future, more advanced, controllers. The other two algorithms are of the on/off type and are thus typical of existing control devices. Results of extensive computer simulations utilizing actual weather data indicate that proportional control does not significantly improve system performance. However, it is shown that thermal stratification in the liquid storage tank may significantly improve performance.

Monte Carlo simulation of semiconductor detector response to (222)Rn and (220)Rn environments.

PubMed

Irlinger, J; Trinkl, S; Wielunksi, M; Tschiersch, J; Rühm, W

2016-07-01

A new electronic radon/thoron monitor employing semiconductor detectors based on a passive diffusion chamber design has been recently developed at the Helmholtz Zentrum München (HMGU). This device allows for acquisition of alpha particle energy spectra, in order to distinguish alpha particles originating from radon and radon progeny decays, as well as those originating from thoron and its progeny decays. A Monte-Carlo application is described which uses the Geant4 toolkit to simulate these alpha particle spectra. Reasonable agreement between measured and simulated spectra were obtained for both (220)Rn and (222)Rn, in the energy range between 1 and 10 MeV. Measured calibration factors could be reproduced by the simulation, given the uncertainties involved in the measurement and simulation. The simulated alpha particle spectra can now be used to interpret spectra measured in mixed radon/thoron atmospheres. The results agreed well with measurements performed in both radon and thoron gas environments. It is concluded that the developed simulation allows for an accurate prediction of calibration factors and alpha particle energy spectra. Copyright © 2016 Elsevier Ltd. All rights reserved.

A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.

PubMed

Xu, Mingyuan; Zhu, Tong; Zhang, John Z H

2018-01-01

A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC) method is proposed for ab initio molecular dynamic simulation of proteins. In this approach, the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptides. The atomic forces on the caped H atoms were corrected to conserve the total force of the protein. Using this approach, ab initio molecular dynamic simulation of an Ace-(ALA) 9 -NME linear peptide showed the conservation of the total energy of the system throughout the simulation. Further a more robust 110 ps ab initio molecular dynamic simulation was performed for a protein with 56 residues and 862 atoms in explicit water. Compared with the classical force field, the ab initio molecular dynamic simulations gave better description of the geometry of peptide bonds. Although further development is still needed, the current approach is highly efficient, trivially parallel, and can be applied to ab initio molecular dynamic simulation study of large proteins.

Fractional Transport in Strongly Turbulent Plasmas.

PubMed

Isliker, Heinz; Vlahos, Loukas; Constantinescu, Dana

2017-07-28

We analyze statistically the energization of particles in a large scale environment of strong turbulence that is fragmented into a large number of distributed current filaments. The turbulent environment is generated through strongly perturbed, 3D, resistive magnetohydrodynamics simulations, and it emerges naturally from the nonlinear evolution, without a specific reconnection geometry being set up. Based on test-particle simulations, we estimate the transport coefficients in energy space for use in the classical Fokker-Planck (FP) equation, and we show that the latter fails to reproduce the simulation results. The reason is that transport in energy space is highly anomalous (strange), the particles perform Levy flights, and the energy distributions show extended power-law tails. Newly then, we motivate the use and derive the specific form of a fractional transport equation (FTE), we determine its parameters and the order of the fractional derivatives from the simulation data, and we show that the FTE is able to reproduce the high energy part of the simulation data very well. The procedure for determining the FTE parameters also makes clear that it is the analysis of the simulation data that allows us to make the decision whether a classical FP equation or a FTE is appropriate.

Simulations of electron transport and ignition for direct-drive fast-ignition targets

NASA Astrophysics Data System (ADS)

Solodov, A. A.; Anderson, K. S.; Betti, R.; Gotcheva, V.; Myatt, J.; Delettrez, J. A.; Skupsky, S.; Theobald, W.; Stoeckl, C.

2008-11-01

The performance of high-gain, fast-ignition fusion targets is investigated using one-dimensional hydrodynamic simulations of implosion and two-dimensional (2D) hybrid fluid-particle simulations of hot-electron transport, ignition, and burn. The 2D/3D hybrid-particle-in-cell code LSP [D. R. Welch et al., Nucl. Instrum. Methods Phys. Res. A 464, 134 (2001)] and the 2D fluid code DRACO [P. B. Radha et al., Phys. Plasmas 12, 056307 (2005)] are integrated to simulate the hot-electron transport and heating for direct-drive fast-ignition targets. LSP simulates the transport of hot electrons from the place where they are generated to the dense fuel core where their energy is absorbed. DRACO includes the physics required to simulate compression, ignition, and burn of fast-ignition targets. The self-generated resistive magnetic field is found to collimate the hot-electron beam, increase the coupling efficiency of hot electrons with the target, and reduce the minimum energy required for ignition. Resistive filamentation of the hot-electron beam is also observed. The minimum energy required for ignition is found for hot electrons with realistic angular spread and Maxwellian energy-distribution function.

Fractional Transport in Strongly Turbulent Plasmas

NASA Astrophysics Data System (ADS)

Isliker, Heinz; Vlahos, Loukas; Constantinescu, Dana

2017-07-01

We analyze statistically the energization of particles in a large scale environment of strong turbulence that is fragmented into a large number of distributed current filaments. The turbulent environment is generated through strongly perturbed, 3D, resistive magnetohydrodynamics simulations, and it emerges naturally from the nonlinear evolution, without a specific reconnection geometry being set up. Based on test-particle simulations, we estimate the transport coefficients in energy space for use in the classical Fokker-Planck (FP) equation, and we show that the latter fails to reproduce the simulation results. The reason is that transport in energy space is highly anomalous (strange), the particles perform Levy flights, and the energy distributions show extended power-law tails. Newly then, we motivate the use and derive the specific form of a fractional transport equation (FTE), we determine its parameters and the order of the fractional derivatives from the simulation data, and we show that the FTE is able to reproduce the high energy part of the simulation data very well. The procedure for determining the FTE parameters also makes clear that it is the analysis of the simulation data that allows us to make the decision whether a classical FP equation or a FTE is appropriate.

A high performance system for molecular dynamics simulation of biomolecules using a special-purpose computer.

PubMed

Komeiji, Y; Yokoyama, H; Uebayasi, M; Taiji, M; Fukushige, T; Sugimoto, D; Takata, R; Shimizu, A; Itsukashi, K

1996-01-01

GRAPE (GRavity PipE) processors are special purpose computers for simulation of classical particles. The performance of MD-GRAPE, one of the GRAPEs developed for molecular dynamics, was investigated. The effective speed of MD-GRAPE was equivalent to approximately 6 Gflops. The precision of MD-GRAPE was good judging from the acceptable fluctuation of the total energy. Then a software named PEACH (Program for Energetic Analysis of bioCHemical molecules) was developed for molecular dynamics of biomolecules in combination with MD-GRAPE. Molecular dynamics simulation was performed for several protein-solvent systems with different sizes. Simulation of the largest system investigated (27,000 atoms) took only 5 sec/step. Thus, the PEACH-GRAPE system is expected to be useful in accurate and reliable simulation of large biomolecules.

Energy efficiency evaluation of hospital building office

NASA Astrophysics Data System (ADS)

Fitriani, Indah; Sangadji, Senot; Kristiawan, S. A.

2017-01-01

One of the strategy employed in building design is reducing energy consumption while maintaining the best comfort zone in building indoor climate. The first step to improve office buildings energy performance by evaluating its existing energy usage using energy consumption intensity (Intensitas Konsumsi Energi, IKE) index. Energy evaluation of office building for hospital dr. Sayidiman at Kabupaten Magetan has been carried out in the initial investigation. The office building is operated with active cooling (air conditioning, AC) and use limited daylighting which consumes 14.61 kWh/m2/month. This IKE value is attributed into a slightly inefficient category. Further investigation was carried out by modeling and simulating thermal energy load and room lighting in every building zone using of Ecotect from Autodesk. Three scenarios of building energy and lighting retrofit have been performed simulating representing energy efficiency using cross ventilation, room openings, and passive cooling. The results of the numerical simulation indicate that the third scenario by employing additional windows, reflector media and skylight exhibit the best result and in accordance with SNI 03-6575-2001 lighting standard. Total thermal load of the existing building which includes fabric gains, indirect solar gains, direct solar gains, ventilation fans, internal gains, inter-zonal gains and cooling load were 162,145.40 kWh. Based on the three scenarios, the thermal load value (kWh) obtained was lowest achieved scenario 2 with the thermal value of 117,539.08 kWh.The final results are interpreted from the total energy emissions evaluated using the Ecotect software, the heating and cooling demand value and specific design of the windows are important factors to determine the energy efficiency of the buildings.

The internal gravity wave spectrum in two high-resolution global ocean models

NASA Astrophysics Data System (ADS)

Arbic, B. K.; Ansong, J. K.; Buijsman, M. C.; Kunze, E. L.; Menemenlis, D.; Müller, M.; Richman, J. G.; Savage, A.; Shriver, J. F.; Wallcraft, A. J.; Zamudio, L.

2016-02-01

We examine the internal gravity wave (IGW) spectrum in two sets of high-resolution global ocean simulations that are forced concurrently by atmospheric fields and the astronomical tidal potential. We analyze global 1/12th and 1/25th degree HYCOM simulations, and global 1/12th, 1/24th, and 1/48th degree simulations of the MITgcm. We are motivated by the central role that IGWs play in ocean mixing, by operational considerations of the US Navy, which runs HYCOM as an ocean forecast model, and by the impact of the IGW continuum on the sea surface height (SSH) measurements that will be taken by the planned NASA/CNES SWOT wide-swath altimeter mission. We (1) compute the IGW horizontal wavenumber-frequency spectrum of kinetic energy, and interpret the results with linear dispersion relations computed from the IGW Sturm-Liouville problem, (2) compute and similarly interpret nonlinear spectral kinetic energy transfers in the IGW band, (3) compute and similarly interpret IGW contributions to SSH variance, (4) perform comparisons of modeled IGW kinetic energy frequency spectra with moored current meter observations, and (5) perform comparisons of modeled IGW kinetic energy vertical wavenumber-frequency spectra with moored observations. This presentation builds upon our work in Muller et al. (2015, GRL), who performed tasks (1), (2), and (4) in 1/12th and 1/25th degree HYCOM simulations, for one region of the North Pacific. New for this presentation are tasks (3) and (5), the inclusion of MITgcm solutions, and the analysis of additional ocean regions.

Software platform for simulation of a prototype proton CT scanner.

PubMed

Giacometti, Valentina; Bashkirov, Vladimir A; Piersimoni, Pierluigi; Guatelli, Susanna; Plautz, Tia E; Sadrozinski, Hartmut F-W; Johnson, Robert P; Zatserklyaniy, Andriy; Tessonnier, Thomas; Parodi, Katia; Rosenfeld, Anatoly B; Schulte, Reinhard W

2017-03-01

Proton computed tomography (pCT) is a promising imaging technique to substitute or at least complement x-ray CT for more accurate proton therapy treatment planning as it allows calculating directly proton relative stopping power from proton energy loss measurements. A proton CT scanner with a silicon-based particle tracking system and a five-stage scintillating energy detector has been completed. In parallel a modular software platform was developed to characterize the performance of the proposed pCT. The modular pCT software platform consists of (1) a Geant4-based simulation modeling the Loma Linda proton therapy beam line and the prototype proton CT scanner, (2) water equivalent path length (WEPL) calibration of the scintillating energy detector, and (3) image reconstruction algorithm for the reconstruction of the relative stopping power (RSP) of the scanned object. In this work, each component of the modular pCT software platform is described and validated with respect to experimental data and benchmarked against theoretical predictions. In particular, the RSP reconstruction was validated with both experimental scans, water column measurements, and theoretical calculations. The results show that the pCT software platform accurately reproduces the performance of the existing prototype pCT scanner with a RSP agreement between experimental and simulated values to better than 1.5%. The validated platform is a versatile tool for clinical proton CT performance and application studies in a virtual setting. The platform is flexible and can be modified to simulate not yet existing versions of pCT scanners and higher proton energies than those currently clinically available. © 2017 American Association of Physicists in Medicine.

High performance computing for advanced modeling and simulation of materials

NASA Astrophysics Data System (ADS)

Wang, Jue; Gao, Fei; Vazquez-Poletti, Jose Luis; Li, Jianjiang

2017-02-01

The First International Workshop on High Performance Computing for Advanced Modeling and Simulation of Materials (HPCMS2015) was held in Austin, Texas, USA, Nov. 18, 2015. HPCMS 2015 was organized by Computer Network Information Center (Chinese Academy of Sciences), University of Michigan, Universidad Complutense de Madrid, University of Science and Technology Beijing, Pittsburgh Supercomputing Center, China Institute of Atomic Energy, and Ames Laboratory.

Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods

NASA Astrophysics Data System (ADS)

Mahynski, Nathan A.; Blanco, Marco A.; Errington, Jeffrey R.; Shen, Vincent K.

2017-02-01

We present a method for predicting the free energy landscape of fluids at low temperatures from flat-histogram grand canonical Monte Carlo simulations performed at higher ones. We illustrate our approach for both pure and multicomponent systems using two different sampling methods as a demonstration. This allows us to predict the thermodynamic behavior of systems which undergo both first order and continuous phase transitions upon cooling using simulations performed only at higher temperatures. After surveying a variety of different systems, we identify a range of temperature differences over which the extrapolation of high temperature simulations tends to quantitatively predict the thermodynamic properties of fluids at lower ones. Beyond this range, extrapolation still provides a reasonably well-informed estimate of the free energy landscape; this prediction then requires less computational effort to refine with an additional simulation at the desired temperature than reconstruction of the surface without any initial estimate. In either case, this method significantly increases the computational efficiency of these flat-histogram methods when investigating thermodynamic properties of fluids over a wide range of temperatures. For example, we demonstrate how a binary fluid phase diagram may be quantitatively predicted for many temperatures using only information obtained from a single supercritical state.

Effect of mosaic representation of vegetation in land surface schemes on simulated energy and carbon balances

NASA Astrophysics Data System (ADS)

Li, R.; Arora, V. K.

2011-06-01

Energy and carbon balance implications of representing vegetation using a composite or mosaic approach in a land surface scheme are investigated. In the composite approach the attributes of different plant functional types (PFTs) present in a grid cell are aggregated in some fashion for energy and water balance calculations. The resulting physical environmental conditions (including net radiation, soil moisture and soil temperature) are common to all PFTs and affect their ecosystem processes. In the mosaic approach energy and water balance calculations are performed separately for each PFT tile using its own vegetation attributes, so each PFT "sees" different physical environmental conditions and its carbon balance evolves somewhat differently from that in the composite approach. Simulations are performed at selected boreal, temperate and tropical locations to illustrate the differences caused by using the composite versus the mosaic approaches of representing vegetation. Differences in grid averaged primary energy fluxes are generally less than 5 % between the two approaches. Grid-averaged carbon fluxes and pool sizes can, however, differ by as much as 46 %. Simulation results suggest that differences in carbon balance between the two approaches arise primarily through differences in net radiation which directly affects net primary productivity, and thus leaf area index and vegetation biomass.

Computational Fluid Dynamic simulations of pipe elbow flow.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Homicz, Gregory Francis

2004-08-01

One problem facing today's nuclear power industry is flow-accelerated corrosion and erosion in pipe elbows. The Korean Atomic Energy Research Institute (KAERI) is performing experiments in their Flow-Accelerated Corrosion (FAC) test loop to better characterize these phenomena, and develop advanced sensor technologies for the condition monitoring of critical elbows on a continuous basis. In parallel with these experiments, Sandia National Laboratories is performing Computational Fluid Dynamic (CFD) simulations of the flow in one elbow of the FAC test loop. The simulations are being performed using the FLUENT commercial software developed and marketed by Fluent, Inc. The model geometry and meshmore » were created using the GAMBIT software, also from Fluent, Inc. This report documents the results of the simulations that have been made to date; baseline results employing the RNG k-e turbulence model are presented. The predicted value for the diametrical pressure coefficient is in reasonably good agreement with published correlations. Plots of the velocities, pressure field, wall shear stress, and turbulent kinetic energy adjacent to the wall are shown within the elbow section. Somewhat to our surprise, these indicate that the maximum values of both wall shear stress and turbulent kinetic energy occur near the elbow entrance, on the inner radius of the bend. Additional simulations were performed for the same conditions, but with the RNG k-e model replaced by either the standard k-{var_epsilon}, or the realizable k-{var_epsilon} turbulence model. The predictions using the standard k-{var_epsilon} model are quite similar to those obtained in the baseline simulation. However, with the realizable k-{var_epsilon} model, more significant differences are evident. The maximums in both wall shear stress and turbulent kinetic energy now appear on the outer radius, near the elbow exit, and are {approx}11% and 14% greater, respectively, than those predicted in the baseline calculation; secondary maxima in both quantities still occur near the elbow entrance on the inner radius. Which set of results better reflects reality must await experimental corroboration. Additional calculations demonstrate that whether or not FLUENT's radial equilibrium pressure distribution option is used in the PRESSURE OUTLET boundary condition has no significant impact on the flowfield near the elbow. Simulations performed with and without the chemical sensor and associated support bracket that were present in the experiments demonstrate that the latter have a negligible influence on the flow in the vicinity of the elbow. The fact that the maxima in wall shear stress and turbulent kinetic energy occur on the inner radius is therefore not an artifact of having introduced the sensor into the flow.« less

Computation of large-scale statistics in decaying isotropic turbulence

NASA Technical Reports Server (NTRS)

Chasnov, Jeffrey R.

1993-01-01

We have performed large-eddy simulations of decaying isotropic turbulence to test the prediction of self-similar decay of the energy spectrum and to compute the decay exponents of the kinetic energy. In general, good agreement between the simulation results and the assumption of self-similarity were obtained. However, the statistics of the simulations were insufficient to compute the value of gamma which corrects the decay exponent when the spectrum follows a k(exp 4) wave number behavior near k = 0. To obtain good statistics, it was found necessary to average over a large ensemble of turbulent flows.

Battery Storage Evaluation Tool, version 1.x

DOE Office of Scientific and Technical Information (OSTI.GOV)

2015-10-02

The battery storage evaluation tool developed at Pacific Northwest National Laboratory is used to run a one-year simulation to evaluate the benefits of battery storage for multiple grid applications, including energy arbitrage, balancing service, capacity value, distribution system equipment deferral, and outage mitigation. This tool is based on the optimal control strategies to capture multiple services from a single energy storage device. In this control strategy, at each hour, a lookahead optimization is first formulated and solved to determine the battery base operating point. The minute-by-minute simulation is then performed to simulate the actual battery operation.

Catalog of selected heavy duty transport energy management models

NASA Technical Reports Server (NTRS)

Colello, R. G.; Boghani, A. B.; Gardella, N. C.; Gott, P. G.; Lee, W. D.; Pollak, E. C.; Teagan, W. P.; Thomas, R. G.; Snyder, C. M.; Wilson, R. P., Jr.

1983-01-01

A catalog of energy management models for heavy duty transport systems powered by diesel engines is presented. The catalog results from a literature survey, supplemented by telephone interviews and mailed questionnaires to discover the major computer models currently used in the transportation industry in the following categories: heavy duty transport systems, which consist of highway (vehicle simulation), marine (ship simulation), rail (locomotive simulation), and pipeline (pumping station simulation); and heavy duty diesel engines, which involve models that match the intake/exhaust system to the engine, fuel efficiency, emissions, combustion chamber shape, fuel injection system, heat transfer, intake/exhaust system, operating performance, and waste heat utilization devices, i.e., turbocharger, bottoming cycle.

BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.

PubMed

Fu, Haohao; Gumbart, James C; Chen, Haochuan; Shao, Xueguang; Cai, Wensheng; Chipot, Christophe

2018-03-26

Quantifying protein-ligand binding has attracted the attention of both theorists and experimentalists for decades. Many methods for estimating binding free energies in silico have been reported in recent years. Proper use of the proposed strategies requires, however, adequate knowledge of the protein-ligand complex, the mathematical background for deriving the underlying theory, and time for setting up the simulations, bookkeeping, and postprocessing. Here, to minimize human intervention, we propose a toolkit aimed at facilitating the accurate estimation of standard binding free energies using a geometrical route, coined the binding free-energy estimator (BFEE), and introduced it as a plug-in of the popular visualization program VMD. Benefitting from recent developments in new collective variables, BFEE can be used to generate the simulation input files, based solely on the structure of the complex. Once the simulations are completed, BFEE can also be utilized to perform the post-treatment of the free-energy calculations, allowing the absolute binding free energy to be estimated directly from the one-dimensional potentials of mean force in simulation outputs. The minimal amount of human intervention required during the whole process combined with the ergonomic graphical interface makes BFEE a very effective and practical tool for the end-user.

Development of an Advanced Grid-Connected PV-ECS System Considering Solar Energy Estimation

NASA Astrophysics Data System (ADS)

Rahman, Md. Habibur; Yamashiro, Susumu; Nakamura, Koichi

In this paper, the development and the performance of a viable distributed grid-connected power generation system of Photovoltaic-Energy Capacitor System (PV-ECS) considering solar energy estimation have been described. Instead of conventional battery Electric Double Layer Capacitors (EDLC) are used as storage device and Photovoltaic (PV) panel to generate power from solar energy. The system can generate power by PV, store energy when the demand of load is low and finally supply the stored energy to load during the period of peak demand. To realize the load leveling function properly the system will also buy power from grid line when load demand is high. Since, the power taken from grid line depends on the PV output power, a procedure has been suggested to estimate the PV output power by calculating solar radiation. In order to set the optimum value of the buy power, a simulation program has also been developed. Performance of the system has been studied for different load patterns in different weather conditions by using the estimated PV output power with the help of the simulation program.

Simulation of the Impact of Si Shell Thickness on the Performance of Si-Coated Vertically Aligned Carbon Nanofiber as Li-Ion Battery Anode

PubMed Central

Das, Susobhan; Li, Jun; Hui, Rongqing

2015-01-01

Micro- and nano-structured electrodes have the potential to improve the performance of Li-ion batteries by increasing the surface area of the electrode and reducing the diffusion distance required by the charged carriers. We report the numerical simulation of Lithium-ion batteries with the anode made of core-shell heterostructures of silicon-coated carbon nanofibers. We show that the energy capacity can be significantly improved by reducing the thickness of the silicon anode to the dimension comparable or less than the Li-ion diffusion length inside silicon. The results of simulation indicate that the contraction of the silicon electrode thickness during the battery discharge process commonly found in experiments also plays a major role in the increase of the energy capacity. PMID:28347120

Imaging performance of a LaBr3-based PET scanner

PubMed Central

Daube-Witherspoon, M E; Surti, S; Perkins, A; Kyba, C C M; Wiener, R; Werner, M E; Kulp, R; Karp, J S

2010-01-01

A prototype time-of-flight (TOF) PET scanner based on cerium-doped lanthanum bromide [LaBr3 (5% Ce)] has been developed. LaBr3 has high light output, excellent energy resolution, and fast timing properties that have been predicted to lead to good image quality. Intrinsic performance measurements of spatial resolution, sensitivity, and scatter fraction demonstrate good conventional PET performance; the results agree with previous simulation studies. Phantom measurements show the excellent image quality achievable with the prototype system. Phantom measurements and corresponding simulations show a faster and more uniform convergence rate, as well as more uniform quantification, for TOF reconstruction of the data, which have 375-ps intrinsic timing resolution, compared to non-TOF images. Measurements and simulations of a hot and cold sphere phantom show that the 7% energy resolution helps to mitigate residual errors in the scatter estimate because a high energy threshold (>480 keV) can be used to restrict the amount of scatter accepted without a loss of true events. Preliminary results with incorporation of a model of detector blurring in the iterative reconstruction algorithm show improved contrast recovery but also point out the importance of an accurate resolution model of the tails of LaBr3’s point spread function. The LaBr3 TOF-PET scanner has demonstrated the impact of superior timing and energy resolutions on image quality. PMID:19949259

Monte Carlo parametric studies of neutron interrogation with the Associated Particle Technique for cargo container inspections

NASA Astrophysics Data System (ADS)

Deyglun, Clément; Carasco, Cédric; Pérot, Bertrand

2014-06-01

The detection of Special Nuclear Materials (SNM) by neutron interrogation is extensively studied by Monte Carlo simulation at the Nuclear Measurement Laboratory of CEA Cadarache (French Alternative Energies and Atomic Energy Commission). The active inspection system is based on the Associated Particle Technique (APT). Fissions induced by tagged neutrons (i.e. correlated to an alpha particle in the DT neutron generator) in SNM produce high multiplicity coincidences which are detected with fast plastic scintillators. At least three particles are detected in a short time window following the alpha detection, whereas nonnuclear materials mainly produce single events, or pairs due to (n,2n) and (n,n'γ) reactions. To study the performances of an industrial cargo container inspection system, Monte Carlo simulations are performed with the MCNP-PoliMi transport code, which records for each neutron history the relevant information: reaction types, position and time of interactions, energy deposits, secondary particles, etc. The output files are post-processed with a specific tool developed with ROOT data analysis software. Particles not correlated with an alpha particle (random background), counting statistics, and time-energy resolutions of the data acquisition system are taken into account in the numerical model. Various matrix compositions, suspicious items, SNM shielding and positions inside the container, are simulated to assess the performances and limitations of an industrial system.

Comparison of MM/GBSA calculations based on explicit and implicit solvent simulations.

PubMed

Godschalk, Frithjof; Genheden, Samuel; Söderhjelm, Pär; Ryde, Ulf

2013-05-28

Molecular mechanics with generalised Born and surface area solvation (MM/GBSA) is a popular method to calculate the free energy of the binding of ligands to proteins. It involves molecular dynamics (MD) simulations with an explicit solvent of the protein-ligand complex to give a set of snapshots for which energies are calculated with an implicit solvent. This change in the solvation method (explicit → implicit) would strictly require that the energies are reweighted with the implicit-solvent energies, which is normally not done. In this paper we calculate MM/GBSA energies with two generalised Born models for snapshots generated by the same methods or by explicit-solvent simulations for five synthetic N-acetyllactosamine derivatives binding to galectin-3. We show that the resulting energies are very different both in absolute and relative terms, showing that the change in the solvent model is far from innocent and that standard MM/GBSA is not a consistent method. The ensembles generated with the various solvent models are quite different with root-mean-square deviations of 1.2-1.4 Å. The ensembles can be converted to each other by performing short MD simulations with the new method, but the convergence is slow, showing mean absolute differences in the calculated energies of 6-7 kJ mol(-1) after 2 ps simulations. Minimisations show even slower convergence and there are strong indications that the energies obtained from minimised structures are different from those obtained by MD.

Evaluation of a High-Performance Solar Home in Loveland, Colorado

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hendron, R.; Eastment, M.; Hancock, E.

2006-01-01

Building America (BA) partner McStain Neighborhoods built the Discovery House in Loveland, Colorado, with an extensive package of energy-efficient features, including a high-performance envelope, efficient mechanical systems, a solar water heater integrated with the space-heating system, a heat-recovery ventilator (HRV), and ENERGY STAR? appliances. The National Renewable Energy Laboratory (NREL) and Building Science Consortium (BSC) conducted short-term field-testing and building energy simulations to evaluate the performance of the house. These evaluations are utilized by BA to improve future prototype designs and to identify critical research needs. The Discovery House building envelope and ducts were very tight under normal operating conditions.more » The HRV provided fresh air at a rate of about 75 cfm (35 l/s), consistent with the recommendations of ASHRAE Standard 62.2. The solar hot water system is expected to meet the bulk of the domestic hot water (DHW) load (>83%), but only about 12% of the space-heating load. DOE-2.2 simulations predict whole-house source energy savings of 54% compared to the BA Benchmark [1]. The largest contributors to energy savings beyond McStain's standard practice are the solar water heater, HRV, improved air distribution, high-efficiency boiler, and compact fluorescent lighting package.« less

Evaluation of a High-Performance Solar Home in Loveland, Colorado: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hendron, R.; Eastment, M.; Hancock, E.

Building America (BA) partner McStain Neighborhoods built the Discovery House in Loveland, Colorado, with an extensive package of energy-efficient features, including a high-performance envelope, efficient mechanical systems, a solar water heater integrated with the space-heating system, a heat-recovery ventilator (HRV), and ENERGY STAR appliances. The National Renewable Energy Laboratory (NREL) and Building Science Consortium (BSC) conducted short-term field-testing and building energy simulations to evaluate the performance of the house. These evaluations are utilized by BA to improve future prototype designs and to identify critical research needs. The Discovery House building envelope and ducts were very tight under normal operating conditions.more » The HRV provided fresh air at a rate of about 35 l/s (75 cfm), consistent with the recommendations of ASHRAE Standard 62.2. The solar hot water system is expected to meet the bulk of the domestic hot water (DHW) load (>83%), but only about 12% of the space-heating load. DOE-2.2 simulations predict whole-house source energy savings of 54% compared to the BA Benchmark. The largest contributors to energy savings beyond McStain's standard practice are the solar water heater, HRV, improved air distribution, high-efficiency boiler, and compact fluorescent lighting package.« less

Topologically Guided, Automated Construction of Metal–Organic Frameworks and Their Evaluation for Energy-Related Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colón, Yamil J.; Gómez-Gualdrón, Diego A.; Snurr, Randall Q.

Metal-organic frameworks (MOFs) are promising materials for a range of energy and environmental applications. Here we describe in detail a computational algorithm and code to generate MOFs based on edge-transitive topological nets for subsequent evaluation via molecular simulation. This algorithm has been previously used by us to construct and evaluate 13 512 MOFs of 41 different topologies for cryo-adsorbed hydrogen storage. Grand canonical Monte Carlo simulations are used here to evaluate the 13 512 structures for the storage of gaseous fuels such as hydrogen and methane and nondistillative separation of xenon/krypton mixtures at various operating conditions. MOF performance for bothmore » gaseous fuel storage and xenon/krypton separation is influenced by topology. Simulation data suggest that gaseous fuel storage performance is topology-dependent due to MOF properties such as void fraction and surface area combining differently in different topologies, whereas xenon/krypton separation performance is topology-dependent due to how topology constrains the pore size distribution.« less

Validating Savings Claims of Cold Climate Zero Energy Ready Homes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Williamson, J.; Puttagunta, S.

This study was intended to validate actual performance of three ZERHs in the Northeast to energy models created in REM/Rate v14.5 (one of the certified software programs used to generate a HERS Index) and the National Renewable Energy Laboratory’s Building Energy Optimization (BEopt™) v2.3 E+ (a more sophisticated hourly energy simulation software). This report details the validation methods used to analyze energy consumption at each home.

Energy Systems Integration Facility (ESIF): Golden, CO - Energy Integration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sheppy, Michael; VanGeet, Otto; Pless, Shanti

2015-03-01

At NREL's Energy Systems Integration Facility (ESIF) in Golden, Colo., scientists and engineers work to overcome challenges related to how the nation generates, delivers and uses energy by modernizing the interplay between energy sources, infrastructure, and data. Test facilities include a megawatt-scale ac electric grid, photovoltaic simulators and a load bank. Additionally, a high performance computing data center (HPCDC) is dedicated to advancing renewable energy and energy efficient technologies. A key design strategy is to use waste heat from the HPCDC to heat parts of the building. The ESIF boasts an annual EUI of 168.3 kBtu/ft2. This article describes themore » building's procurement, design and first year of performance.« less

System Advisor Model, SAM 2014.1.14: General Description

DOE Office of Scientific and Technical Information (OSTI.GOV)

Blair, Nate; Dobos, Aron P.; Freeman, Janine

2014-02-01

This document describes the capabilities of the U.S. Department of Energy and National Renewable Energy Laboratory's System Advisor Model (SAM), Version 2013.9.20, released on September 9, 2013. SAM is a computer model that calculates performance and financial metrics of renewable energy systems. Project developers, policy makers, equipment manufacturers, and researchers use graphs and tables of SAM results in the process of evaluating financial, technology, and incentive options for renewable energy projects. SAM simulates the performance of photovoltaic, concentrating solar power, solar water heating, wind, geothermal, biomass, and conventional power systems. The financial model can represent financial structures for projects thatmore » either buy and sell electricity at retail rates (residential and commercial) or sell electricity at a price determined in a power purchase agreement (utility). SAM's advanced simulation options facilitate parametric and sensitivity analyses, and statistical analysis capabilities are available for Monte Carlo simulation and weather variability (P50/P90) studies. SAM can also read input variables from Microsoft Excel worksheets. For software developers, the SAM software development kit (SDK) makes it possible to use SAM simulation modules in their applications written in C/C++, C#, Java, Python, and MATLAB. NREL provides both SAM and the SDK as free downloads at http://sam.nrel.gov. Technical support and more information about the software are available on the website.« less

Assessment of Energy Storage Alternatives in the Puget Sound Energy System Volume 2: Energy Storage Evaluation Tool

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Di; Jin, Chunlian; Balducci, Patrick J.

2013-12-01

This volume presents the battery storage evaluation tool developed at Pacific Northwest National Laboratory (PNNL), which is used to evaluate benefits of battery storage for multiple grid applications, including energy arbitrage, balancing service, capacity value, distribution system equipment deferral, and outage mitigation. This tool is based on the optimal control strategies to capture multiple services from a single energy storage device. In this control strategy, at each hour, a look-ahead optimization is first formulated and solved to determine battery base operating point. The minute by minute simulation is then performed to simulate the actual battery operation. This volume provide backgroundmore » and manual for this evaluation tool.« less

Instrumental resolution of the chopper spectrometer 4SEASONS evaluated by Monte Carlo simulation

NASA Astrophysics Data System (ADS)

Kajimoto, Ryoichi; Sato, Kentaro; Inamura, Yasuhiro; Fujita, Masaki

2018-05-01

We performed simulations of the resolution function of the 4SEASONS spectrometer at J-PARC by using the Monte Carlo simulation package McStas. The simulations showed reasonably good agreement with analytical calculations of energy and momentum resolutions by using a simplified description. We implemented new functionalities in Utsusemi, the standard data analysis tool used in 4SEASONS, to enable visualization of the simulated resolution function and predict its shape for specific experimental configurations.

Simulations of Jetted Relativistic Blastwaves in Astrophysics

NASA Astrophysics Data System (ADS)

Salmonson, Jay; Fragile, Chris; Anninos, Peter

2005-10-01

We present new 2D relativistic hydrodynamic simulations of jetted blastwaves using the Cosmos++ astrophysics code. In particular, we simulate the asymmetric outflow resulting from the giant flare of December 27, 2004 from SGR 1806-20. We find that the asymmetric radio nebula observed to expand over the months following the flare cannot be explained by a simple ballistic ejection of material during the flare, but requires angular dependence of the energy injection with respect to the jet axis. In addition, we present simulations of jetted blastwaves of the relativistic afterglows resulting from gamma-ray bursts. Evolving these jetted blastwaves from Lorentz factors of order 10, we explore the dependence of observed lightcurves on initial jet opening angle, energy distribution, and observer angle with respect to the jet axis. This work was performed under the auspices of the U.S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48.

Vibration control by limiting the maximum axial forces in space trusses

NASA Technical Reports Server (NTRS)

Chawla, Vikas; Utku, Senol; Wada, Ben K.

1993-01-01

Proposed here is a method of vibration control based on limiting the maximum axial forces in the active members of an adaptive truss. The actuators simulate elastic rigid-plastic behavior and consume the vibrational energy as work. The method is applicable to both statically determinate as well as indeterminate truss structures. However, for energy efficient control of statistically indeterminate trusses extra actuators may be provided on the redundant bars. An energy formulation relating the various control parameters is derived to get an estimate of the control time. Since the simulation of elastic rigid-plastic behavior requires a piecewise linear control law, a general analytical solution is not possible. Numerical simulation by step-by-step integration is performed to simulate the control of an example truss structure. The problems of application to statically indeterminate trusses and optimal actuator placement are identified for future work.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Zhuwen, E-mail: zzwwdxy@gznc.edu.cn; Key Laboratory of Photoelectron Materials Design and Simulation in Guizhou Province, Guiyang 550018; Scientific Research Innovation Team in Plasma and Functional Thin Film Materials in Guizhou Province, Guiyang 550018

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, themore » 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.« less

Traffic Adaptive Energy Efficient and Low Latency Medium Access Control for Wireless Sensor Networks

NASA Astrophysics Data System (ADS)

Yadav, Rajesh; Varma, Shirshu; Malaviya, N.

2008-05-01

Medium access control for wireless sensor networks has been a very active research area in the recent years. The traditional wireless medium access control protocol such as IEEE 802.11 is not suitable for the sensor network application because these are battery powered. The recharging of these sensor nodes is expensive and also not possible. The most of the literature in the medium access for the sensor network focuses on the energy efficiency. The proposed MAC protocol solves the energy inefficiency caused by idle listening, control packet overhead and overhearing taking nodes latency into consideration based on the network traffic. Simulation experiments have been performed to demonstrate the effectiveness of the proposed approach. The validation of the simulation results of the proposed MAC has been done by comparing it with the analytical model. This protocol has been simulated in Network Simulator ns-2.

Simulation and experimental measurement of radon activity using a multichannel silicon-based radiation detector.

PubMed

Ozdemir, F B; Selcuk, A B; Ozkorucuklu, S; Alpat, A B; Ozdemir, T; Ӧzek, N

2018-05-01

In this study, high-precision radiation detector (HIPRAD), a new-generation semiconductor microstrip detector, was used for detecting radon (Rn-222) activity. The aim of this study was to detect radon (Rn-222) activity experimentally by measuring the energy of particles in this detector. Count-ADC channel, eta-charge, and dose-response values were experimentally obtained using HIPRAD. The radon simulation in the radiation detector was theoretically performed using the Geant4 software package. The obtained radioactive decay, energy generation, energy values, and efficiency values of the simulation were plotted using the root program. The new-generation radiation detector proved to have 95% reliability according to the obtained dose-response graphs. The experimental and simulation results were found to be compatible with each other and with the radon decays and literature studies. Copyright © 2018 Elsevier Ltd. All rights reserved.

Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA.

PubMed

Das, Susanta; Nam, Kwangho; Major, Dan Thomas

2018-03-13

In recent years, a number of quantum mechanical-molecular mechanical (QM/MM) enzyme studies have investigated the dependence of reaction energetics on the size of the QM region using energy and free energy calculations. In this study, we revisit the question of QM region size dependence in QM/MM simulations within the context of energy and free energy calculations using a proton transfer in a DNA base pair as a test case. In the simulations, the QM region was treated with a dispersion-corrected AM1/d-PhoT Hamiltonian, which was developed to accurately describe phosphoryl and proton transfer reactions, in conjunction with an electrostatic embedding scheme using the particle-mesh Ewald summation method. With this rigorous QM/MM potential, we performed rather extensive QM/MM sampling, and found that the free energy reaction profiles converge rapidly with respect to the QM region size within ca. ±1 kcal/mol. This finding suggests that the strategy of QM/MM simulations with reasonably sized and selected QM regions, which has been employed for over four decades, is a valid approach for modeling complex biomolecular systems. We point to possible causes for the sensitivity of the energy and free energy calculations to the size of the QM region, and potential implications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makovec, Nikola Michel

Although the standard model of particle physics agrees perfectly with experimental data, it is unlikely the final theory describing particles and their interactions. New phenomena has been searched in the jets and missing transverse energy topology. Such phenomena may be due to the pair production of leptoquarks decaying into a quark and a neutrino or the pair production of stops decaying into a charm and a neutralino which is assumed to be the lightest supersymmetric particle. These searches have been performed with the D0 detector at hadronic collider TeVatron with a center of mass energy of 1.96 TeV. This kindmore » of search needs a good understanding of the jet energy calibration. The determination of the relative jet energy scale has allowed them to reduce the systematic uncertainties on the jet energy measurement when comparing the data and the simulation. Moreover a new method has been developed in order to correct simulated jets for the differences observed in the jet energy scale, the jet energy resolution and the jet reconstruction efficiency between the data and the simulation. The data analysis, performed with an integrated luminosity of 310 pb -1, has not observed any excess. This result is interpreted in terms of limit on the mass of the particles: leptoquarks with a mass smaller than 136 GeV and stops with a mass smaller than 131 GeV, for a neutralino mass equal to 46 GeV, are excluded with 95% confidence level.« less

G-189A analytical simulation of the integrated waste management-water system using radioisotopes for thermal energy

NASA Technical Reports Server (NTRS)

Coggi, J. V.; Loscutoff, A. V.; Barker, R. S.

1973-01-01

An analytical simulation of the RITE-Integrated Waste Management and Water Recovery System using radioisotopes for thermal energy was prepared for the NASA-Manned Space Flight Center (MSFC). The RITE system is the most advanced concept water-waste management system currently under development and has undergone extended duration testing. It has the capability of disposing of nearly all spacecraft wastes including feces and trash and of recovering water from usual waste water sources: urine, condensate, wash water, etc. All of the process heat normally used in the system is produced from low penalty radioisotope heat sources. The analytical simulation was developed with the G189A computer program. The objective of the simulation was to obtain an analytical simulation which can be used to (1) evaluate the current RITE system steady state and transient performance during normal operating conditions, and also during off normal operating conditions including failure modes; and (2) evaluate the effects of variations in component design parameters and vehicle interface parameters on system performance.

Outcomes from the DOE Workshop on Turbulent Flow Simulation at the Exascale

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprague, Michael; Boldyrev, Stanislav; Chang, Choong-Seock

This paper summarizes the outcomes from the Turbulent Flow Simulation at the Exascale: Opportunities and Challenges Workshop, which was held 4-5 August 2015, and was sponsored by the U.S. Department of Energy Office of Advanced Scientific Computing Research. The workshop objective was to define and describe the challenges and opportunities that computing at the exascale will bring to turbulent-flow simulations in applied science and technology. The need for accurate simulation of turbulent flows is evident across the U.S. Department of Energy applied-science and engineering portfolios, including combustion, plasma physics, nuclear-reactor physics, wind energy, and atmospheric science. The workshop brought togethermore » experts in turbulent-flow simulation, computational mathematics, and high-performance computing. Building upon previous ASCR workshops on exascale computing, participants defined a research agenda and path forward that will enable scientists and engineers to continually leverage, engage, and direct advances in computational systems on the path to exascale computing.« less

Design and Implementation of RF Energy Harvesting System for Low-Power Electronic Devices

NASA Astrophysics Data System (ADS)

Uzun, Yunus

2016-08-01

Radio frequency (RF) energy harvester systems are a good alternative for energizing of low-power electronics devices. In this work, an RF energy harvester is presented to obtain energy from Global System for Mobile Communications (GSM) 900 MHz signals. The energy harvester, consisting of a two-stage Dickson voltage multiplier circuit and L-type impedance matching circuits, was designed, simulated, fabricated and tested experimentally in terms of its performance. Simulation and experimental works were carried out for various input power levels, load resistances and input frequencies. Both simulation and experimental works have been carried out for this frequency band. An efficiency of 45% is obtained from the system at 0 dBm input power level using the impedance matching circuit. This corresponds to the power of 450 μW and this value is sufficient for many low-power devices. The most important parameters affecting the efficiency of the RF energy harvester are the input power level, frequency band, impedance matching and voltage multiplier circuits, load resistance and the selection of diodes. RF energy harvester designs should be optimized in terms of these parameters.

Energy Efficient Operation of Ammonia Refrigeration Systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mohammed, Abdul Qayyum; Wenning, Thomas J; Sever, Franc

Ammonia refrigeration systems typically offer many energy efficiency opportunities because of their size and complexity. This paper develops a model for simulating single-stage ammonia refrigeration systems, describes common energy saving opportunities, and uses the model to quantify those opportunities. The simulation model uses data that are typically available during site visits to ammonia refrigeration plants and can be calibrated to actual consumption and performance data if available. Annual electricity consumption for a base-case ammonia refrigeration system is simulated. The model is then used to quantify energy savings for six specific energy efficiency opportunities; reduce refrigeration load, increase suction pressure, employmore » dual suction, decrease minimum head pressure set-point, increase evaporative condenser capacity, and reclaim heat. Methods and considerations for achieving each saving opportunity are discussed. The model captures synergistic effects that result when more than one component or parameter is changed. This methodology represents an effective method to model and quantify common energy saving opportunities in ammonia refrigeration systems. The results indicate the range of savings that might be expected from common energy efficiency opportunities.« less

Realistic Development and Testing of Fission System at a Non-Nuclear Testing Facility

NASA Technical Reports Server (NTRS)

Godfroy, Tom; VanDyke, Melissa; Dickens, Ricky; Pedersen, Kevin; Lenard, Roger; Houts, Mike

2000-01-01

The use of resistance heaters to simulate heat from fission allows extensive development of fission systems to be performed in non-nuclear test facilities, saving time and money. Resistance heated tests on a module has been performed at the Marshall Space Flight Center in the Propellant Energy Source Testbed (PEST). This paper discusses the experimental facilities and equipment used for performing resistance heated tests. Recommendations are made for improving non-nuclear test facilities and equipment for simulated testing of nuclear systems.

Realistic development and testing of fission systems at a non-nuclear testing facility

NASA Astrophysics Data System (ADS)

Godfroy, Tom; van Dyke, Melissa; Dickens, Ricky; Pedersen, Kevin; Lenard, Roger; Houts, Mike

2000-01-01

The use of resistance heaters to simulate heat from fission allows extensive development of fission systems to be performed in non-nuclear test facilities, saving time and money. Resistance heated tests on a module has been performed at the Marshall Space Flight Center in the Propellant Energy Source Testbed (PEST). This paper discusses the experimental facilities and equipment used for performing resistance heated tests. Recommendations are made for improving non-nuclear test facilities and equipment for simulated testing of nuclear systems. .

Comparison of Software Models for Energy Savings from Cool Roofs

DOE Office of Scientific and Technical Information (OSTI.GOV)

New, Joshua Ryan; Miller, William A; Huang, Yu

2014-01-01

A web-based Roof Savings Calculator (RSC) has been deployed for the United States 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 modern web technologies, usability design, and national average defaults as an interface to annual simulations of hour-by-hour, whole-building performance using the world-class simulation tools DOE-2.1E and AtticSim in order to provide estimated annual energy and cost savings. In addition to cool reflective roofs, RSC simulates multiple roof and attic configurations including different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roofmore » surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. A base case and energy-efficient alternative can be compared side-by-side to estimate monthly energy. RSC was benchmarked against field data from demonstration homes in Ft. Irwin, California; while cooling savings were similar, heating penalty varied significantly across different simulation engines. RSC results reduce cool roofing cost-effectiveness thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC s projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus, and presents preliminary analyses. RSC s algorithms for capturing radiant heat transfer and duct interaction in the attic assembly are considered major contributing factors to increased cooling savings and heating penalties. Comparison to previous simulation-based studies, analysis on the force multiplier of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model are included.« less

Mechanical energy storage performance of an aluminum fumarate metal–organic framework† †Electronic supplementary information (ESI) available: Experimental procedures, X-ray diffraction, and molecular simulation. See DOI: 10.1039/c5sc02794b

PubMed Central

Vanduyfhuys, Louis; Alvarez, Elsa; Rodriguez, Julien; Itié, Jean-Paul; Fabry, Paul; Guillou, Nathalie; Devic, Thomas; Beurroies, Isabelle; Llewellyn, Philip L.; Van Speybroeck, Veronique; Serre, Christian; Maurin, Guillaume

2016-01-01

The aluminum fumarate MOF A520 or MIL-53–FA is revealed to be a promising material for mechanical energy-related applications with performances in terms of work and heat energies which surpass those of any porous solids reported so far. Complementary experimental and computational tools are deployed to finely characterize and understand the pressure-induced structural transition at the origin of these unprecedented levels of performance. PMID:29861993

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.

Proactive and Reactive Transmission Power Control for Energy-Efficient On-Body Communications

PubMed Central

Vallejo, Mónica; Recas, Joaquín.; Ayala, José L.

2015-01-01

In wireless body sensor network (WBSNs), the human body has an important effect on the performance of the communication due to the temporal variations caused and the attenuation and fluctuation of the path loss. This fact suggests that the transmission power must adapt to the current state of the link in a way that it ensures a balance between energy consumption and packet loss. In this paper, we validate our two transmission power level policies (reactive and predictive approaches) using the Castalia simulator. The integration of our experimental measurements in the simulator allows us to easily evaluate complex scenarios, avoiding the difficulties associated with a practical realization. Our results show that both schemes perform satisfactorily, providing overall energy savings of 24% and 22% for a case of study, as compared to the maximum transmission power mode. PMID:25769049

Energy consumption analysis and simulation of waste heat recovery technology of ceramic rotary kiln

NASA Astrophysics Data System (ADS)

Chen, Zhiguang; Zhou, Yu; Qin, Chaokui; Zhang, Xuemei

2018-03-01

Ceramsite is widely used in the construction industry, insulation works and oil industry in China, and the manufacture equipment is mainly industrial kiln. In this paper, energy consumption analysis had been carried out through experimental test of a Ceramsite kiln in Henan province. Results showed that the discharge temperature of Ceramsite was about 1393K, and the waste heat accounted for 22.1% of the total energy consumption. A structure of cyclone preheater which recovered waste heat of the high temperature Ceramsite by blast cooling was designed. Then, using Fluent software, performance of the unit was simulated. The minimum temperature that Ceramsite could reach, heat dissipating capacity of Ceramsite, temperature at air outlet, wall temperature of the unit and pressure loss were analyzed. Performance of the designed unit under different inlet velocity was analyzed as well.

Energetic Particle Loss Estimates in W7-X

NASA Astrophysics Data System (ADS)

Lazerson, Samuel; Akaslompolo, Simppa; Drevlak, Micheal; Wolf, Robert; Darrow, Douglass; Gates, David; W7-X Team

2017-10-01

The collisionless loss of high energy H+ and D+ ions in the W7-X device are examined using the BEAMS3D code. Simulations of collisionless losses are performed for a large ensemble of particles distributed over various flux surfaces. A clear loss cone of particles is present in the distribution for all particles. These simulations are compared against slowing down simulations in which electron impact, ion impact, and pitch angle scattering are considered. Full device simulations allow tracing of particle trajectories to the first wall components. These simulations provide estimates for placement of a novel set of energetic particle detectors. Recent performance upgrades to the code are allowing simulations with > 1000 processors providing high fidelity simulations. Speedup and future works are discussed. DE-AC02-09CH11466.

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.

DNS/LES Simulations of Separated Flows at High Reynolds Numbers

NASA Technical Reports Server (NTRS)

Balakumar, P.

2015-01-01

Direct numerical simulations (DNS) and large-eddy simulations (LES) simulations of flow through a periodic channel with a constriction are performed using the dynamic Smagorinsky model at two Reynolds numbers of 2800 and 10595. The LES equations are solved using higher order compact schemes. DNS are performed for the lower Reynolds number case using a fine grid and the data are used to validate the LES results obtained with a coarse and a medium size grid. LES simulations are also performed for the higher Reynolds number case using a coarse and a medium size grid. The results are compared with an existing reference data set. The DNS and LES results agreed well with the reference data. Reynolds stresses, sub-grid eddy viscosity, and the budgets for the turbulent kinetic energy are also presented. It is found that the turbulent fluctuations in the normal and spanwise directions have the same magnitude. The turbulent kinetic energy budget shows that the production peaks near the separation point region and the production to dissipation ratio is very high on the order of five in this region. It is also observed that the production is balanced by the advection, diffusion, and dissipation in the shear layer region. The dominant term is the turbulent diffusion that is about two times the molecular dissipation.

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Criscenti, Louise Jacqueline; Sassani, David Carl; Arguello, Jose Guadalupe, Jr.

2011-02-01

This report describes the progress in fiscal year 2010 in 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,more » 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 robust verification, validation, and software quality requirements. Waste IPSC activities in fiscal year 2010 focused on specifying a challenge problem to demonstrate proof of concept, developing a verification and validation plan, and performing an initial gap analyses to identify candidate codes and tools to support the development and integration of the Waste IPSC. 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. This year-end progress report documents the FY10 status of acquisition, development, and integration of thermal-hydrologic-chemical-mechanical (THCM) code capabilities, frameworks, and enabling tools and infrastructure.« less

First-Principles and Thermodynamic Simulation of Elastic Stress Effect on Energy of Hydrogen Dissolution in Alpha Iron

NASA Astrophysics Data System (ADS)

Rakitin, M. S.; Mirzoev, A. A.; Mirzaev, D. A.

2018-04-01

Mobile hydrogen, when dissolving in metals, redistributes due to the density gradients and elastic stresses, and enables destruction processes or phase transformations in local volumes of a solvent metal. It is rather important in solid state physics to investigate these interactions. The first-principle calculations performed in terms of the density functional theory, are used for thermodynamic simulation of the elastic stress effect on the energy of hydrogen dissolution in α-Fe crystal lattice. The paper presents investigations of the total energy of Fe-H system depending on the lattice parameter. As a result, the relation is obtained between the hydrogen dissolution energy and stress. A good agreement is shown between the existing data and simulation results. The extended equation is suggested for the chemical potential of hydrogen atom in iron within the local stress field. Two parameters affecting the hydrogen distribution are compared, namely local stress and phase transformations.

Essential energy space random walks to accelerate molecular dynamics simulations: Convergence improvements via an adaptive-length self-healing strategy

NASA Astrophysics Data System (ADS)

Zheng, Lianqing; Yang, Wei

2008-07-01

Recently, accelerated molecular dynamics (AMD) technique was generalized to realize essential energy space random walks so that further sampling enhancement and effective localized enhanced sampling could be achieved. This method is especially meaningful when essential coordinates of the target events are not priori known; moreover, the energy space metadynamics method was also introduced so that biasing free energy functions can be robustly generated. Despite the promising features of this method, due to the nonequilibrium nature of the metadynamics recursion, it is challenging to rigorously use the data obtained at the recursion stage to perform equilibrium analysis, such as free energy surface mapping; therefore, a large amount of data ought to be wasted. To resolve such problem so as to further improve simulation convergence, as promised in our original paper, we are reporting an alternate approach: the adaptive-length self-healing (ALSH) strategy for AMD simulations; this development is based on a recent self-healing umbrella sampling method. Here, the unit simulation length for each self-healing recursion is increasingly updated based on the Wang-Landau flattening judgment. When the unit simulation length for each update is long enough, all the following unit simulations naturally run into the equilibrium regime. Thereafter, these unit simulations can serve for the dual purposes of recursion and equilibrium analysis. As demonstrated in our model studies, by applying ALSH, both fast recursion and short nonequilibrium data waste can be compromised. As a result, combining all the data obtained from all the unit simulations that are in the equilibrium regime via the weighted histogram analysis method, efficient convergence can be robustly ensured, especially for the purpose of free energy surface mapping.

Investigation on the performance of a viscoelastic dielectric elastomer membrane generator.

PubMed

Zhou, Jianyou; Jiang, Liying; Khayat, Roger E

2015-04-21

Dielectric elastomer generators (DEGs), as a recent transduction technology, harvest electrical energy by scavenging mechanical energy from diverse sources. Their performance is affected by various material properties and failure modes of the dielectric elastomers. This work presents a theoretical analysis on the performance of a dielectric elastomer membrane generator under equi-biaxial loading conditions. By comparing our simulation results with the experimental observations existing in the literature, this work considers the fatigue life of DE-based devices under cyclic loading for the first time. From the simulation results, it is concluded that the efficiency of the DEG can be improved by raising the deforming rate and the prescribed maximum stretch ratio, and applying an appropriate bias voltage. However, the fatigue life expectancy compromises the efficiency improvement of the DEG. With the consideration of the fatigue life, applying an appropriate bias voltage appears to be a more desirable way to improve the DEG performance. The general framework developed in this work is expected to provide an increased understanding on the energy harvesting mechanisms of the DEGs and benefit their optimal design.

Comparison of software models for energy savings from cool roofs

DOE PAGES

New, Joshua; Miller, William A.; Huang, Yu; ...

2015-06-07

For this study, a web-based Roof Savings Calculator (RSC) has been deployed for the United States Department of Energy as an industry-consensus tool to help building owners, manufacturers, distributors, contractors and researchers easily run complex roof and attic simulations. RSC simulates multiple roof and attic technologies for side-by-side comparison including reflective roofs, different roof slopes, above sheathing ventilation, radiant barriers, low-emittance roof surfaces, duct location, duct leakage rates, multiple substrate types, and insulation levels. Annual simulations of hour-by-hour, whole-building performance are used to provide estimated annual energy and cost savings from reduced HVAC use. While RSC reported similar cooling savingsmore » to other simulation engines, heating penalty varied significantly. RSC results show reduced cool roofing cost-effectiveness, thus mitigating expected economic incentives for this countermeasure to the urban heat island effect. This paper consolidates comparison of RSC's projected energy savings to other simulation engines including DOE-2.1E, AtticSim, Micropas, and EnergyPlus. Also included are comparisons to previous simulation-based studies, analysis of RSC cooling savings and heating penalties, the role of radiative heat exchange in an attic assembly, and changes made for increased accuracy of the duct model. Finally, radiant heat transfer and duct interaction not previously modeled is considered a major contributor to heating penalties.« less

Rapid methods for radionuclide contaminant transport in nuclear fuel cycle simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huff, Kathryn

Here, nuclear fuel cycle and nuclear waste disposal decisions are technologically coupled. However, current nuclear fuel cycle simulators lack dynamic repository performance analysis due to the computational burden of high-fidelity hydrolgic contaminant transport models. The Cyder disposal environment and repository module was developed to fill this gap. It implements medium-fidelity hydrologic radionuclide transport models to support assessment appropriate for fuel cycle simulation in the Cyclus fuel cycle simulator. Rapid modeling of hundreds of discrete waste packages in a geologic environment is enabled within this module by a suite of four closed form models for advective, dispersive, coupled, and idealized con-more » taminant transport: a Degradation Rate model, a Mixed Cell model, a Lumped Parameter model, and a 1-D Permeable Porous Medium model. A summary of the Cyder module, its timestepping algorithm, and the mathematical models implemented within it are presented. Additionally, parametric demonstrations simulations performed with Cyder are presented and shown to demonstrate functional agreement with parametric simulations conducted in a standalone hydrologic transport model, the Clay Generic Disposal System Model developed by the Used Fuel Disposition Campaign Department of Energy Office of Nuclear Energy.« less

Rapid methods for radionuclide contaminant transport in nuclear fuel cycle simulation

DOE PAGES

Huff, Kathryn

2017-08-01

Here, nuclear fuel cycle and nuclear waste disposal decisions are technologically coupled. However, current nuclear fuel cycle simulators lack dynamic repository performance analysis due to the computational burden of high-fidelity hydrolgic contaminant transport models. The Cyder disposal environment and repository module was developed to fill this gap. It implements medium-fidelity hydrologic radionuclide transport models to support assessment appropriate for fuel cycle simulation in the Cyclus fuel cycle simulator. Rapid modeling of hundreds of discrete waste packages in a geologic environment is enabled within this module by a suite of four closed form models for advective, dispersive, coupled, and idealized con-more » taminant transport: a Degradation Rate model, a Mixed Cell model, a Lumped Parameter model, and a 1-D Permeable Porous Medium model. A summary of the Cyder module, its timestepping algorithm, and the mathematical models implemented within it are presented. Additionally, parametric demonstrations simulations performed with Cyder are presented and shown to demonstrate functional agreement with parametric simulations conducted in a standalone hydrologic transport model, the Clay Generic Disposal System Model developed by the Used Fuel Disposition Campaign Department of Energy Office of Nuclear Energy.« less

Virtual reality robotic surgical simulation: an analysis of gynecology trainees.

PubMed

Sheth, Sangini S; Fader, Amanda N; Tergas, Ana I; Kushnir, Christina L; Green, Isabel C

2014-01-01

To analyze the learning curves of gynecology trainees on several virtual reality da Vinci Skills Simulator exercises. Prospective cohort pilot study. Academic hospital-based gynecology training program. Novice robotic surgeons from a gynecology training program. Novice robotic surgeons from an academic gynecology training program completed 10 repetitions of 4 exercises on the da Vinci Skills Simulator: matchboard, ring and rail, suture sponge, and energy switching. Performance metrics measured included time to completion, economy of instrument movement, excessive force, collisions, master workspace range, missed targets, misapplied energy, critical errors, and overall score. Statistical analyses were conducted to define the learning curve for trainees and the optimal number of repetitions for each exercise. A total of 34 participants were enrolled, of which 9 were medical students, 22 were residents, and 3 were fellows. There was a significant improvement in performance between the 1st and 10th repetitions across multiple metrics for all exercises. Senior trainees performed the suture exercise significantly faster than the junior trainees during the first and last repetitions (p = 0.004 and p = 0.003, respectively). However, the performance gap between seniors and juniors narrowed significantly by the 10th repetition. The mean number of repetitions required to achieve performance plateau ranged from 6.4 to 9.3. Virtual reality robotic simulation improves ability through repetition at all levels of training. Further, a performance plateau may exist during a single training session. Larger studies are needed to further define the most high-yield simulator exercises, the ideal number of repetitions, and recommended intervals between training sessions to improve operative performance. Copyright © 2014 Association of Program Directors in Surgery. Published by Elsevier Inc. All rights reserved.

"First-principles" kinetic Monte Carlo simulations revisited: CO oxidation over RuO2 (110).

PubMed

Hess, Franziska; Farkas, Attila; Seitsonen, Ari P; Over, Herbert

2012-03-15

First principles-based kinetic Monte Carlo (kMC) simulations are performed for the CO oxidation on RuO(2) (110) under steady-state reaction conditions. The simulations include a set of elementary reaction steps with activation energies taken from three different ab initio density functional theory studies. Critical comparison of the simulation results reveals that already small variations in the activation energies lead to distinctly different reaction scenarios on the surface, even to the point where the dominating elementary reaction step is substituted by another one. For a critical assessment of the chosen energy parameters, it is not sufficient to compare kMC simulations only to experimental turnover frequency (TOF) as a function of the reactant feed ratio. More appropriate benchmarks for kMC simulations are the actual distribution of reactants on the catalyst's surface during steady-state reaction, as determined by in situ infrared spectroscopy and in situ scanning tunneling microscopy, and the temperature dependence of TOF in the from of Arrhenius plots. Copyright © 2012 Wiley Periodicals, Inc.

Synchronous Firefly Algorithm for Cluster Head Selection in WSN

PubMed Central

Baskaran, Madhusudhanan; Sadagopan, Chitra

2015-01-01

Wireless Sensor Network (WSN) consists of small low-cost, low-power multifunctional nodes interconnected to efficiently aggregate and transmit data to sink. Cluster-based approaches use some nodes as Cluster Heads (CHs) and organize WSNs efficiently for aggregation of data and energy saving. A CH conveys information gathered by cluster nodes and aggregates/compresses data before transmitting it to a sink. However, this additional responsibility of the node results in a higher energy drain leading to uneven network degradation. Low Energy Adaptive Clustering Hierarchy (LEACH) offsets this by probabilistically rotating cluster heads role among nodes with energy above a set threshold. CH selection in WSN is NP-Hard as optimal data aggregation with efficient energy savings cannot be solved in polynomial time. In this work, a modified firefly heuristic, synchronous firefly algorithm, is proposed to improve the network performance. Extensive simulation shows the proposed technique to perform well compared to LEACH and energy-efficient hierarchical clustering. Simulations show the effectiveness of the proposed method in decreasing the packet loss ratio by an average of 9.63% and improving the energy efficiency of the network when compared to LEACH and EEHC. PMID:26495431

Optimization of K-edge imaging for vulnerable plaques using gold nanoparticles and energy resolved photon counting detectors: a simulation study.

PubMed

Alivov, Yahya; Baturin, Pavlo; Le, Huy Q; Ducote, Justin; Molloi, Sabee

2014-01-06

We investigated the effect of different imaging parameters, such as dose, beam energy, energy resolution and the number of energy bins, on the image quality of K-edge spectral computed tomography (CT) of gold nanoparticles (GNP) accumulated in an atherosclerotic plaque. A maximum likelihood technique was employed to estimate the concentration of GNP, which served as a targeted intravenous contrast material intended to detect the degree of the plaque's inflammation. The simulation studies used a single-slice parallel beam CT geometry with an x-ray beam energy ranging between 50 and 140 kVp. The synthetic phantoms included small (3 cm in diameter) cylinder and chest (33 × 24 cm(2)) phantoms, where both phantoms contained tissue, calcium and gold. In the simulation studies, GNP quantification and background (calcium and tissue) suppression tasks were pursued. The x-ray detection sensor was represented by an energy resolved photon counting detector (e.g., CdZnTe) with adjustable energy bins. Both ideal and more realistic (12% full width at half maximum (FWHM) energy resolution) implementations of the photon counting detector were simulated. The simulations were performed for the CdZnTe detector with a pixel pitch of 0.5-1 mm, which corresponds to a performance without significant charge sharing and cross-talk effects. The Rose model was employed to estimate the minimum detectable concentration of GNPs. A figure of merit (FOM) was used to optimize the x-ray beam energy (kVp) to achieve the highest signal-to-noise ratio with respect to the patient dose. As a result, the successful identification of gold and background suppression was demonstrated. The highest FOM was observed at the 125 kVp x-ray beam energy. The minimum detectable GNP concentration was determined to be approximately 1.06 µmol mL(-1) (0.21 mg mL(-1)) for an ideal detector and about 2.5 µmol mL(-1) (0.49 mg mL(-1)) for a more realistic (12% FWHM) detector. The studies show the optimal imaging parameters at the lowest patient dose using an energy resolved photon counting detector to image GNP in an atherosclerotic plaque.

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

DOE Office of Scientific and Technical Information (OSTI.GOV)

McEachern, R.L.; Goodstein, D.M.; Cooper, B.H.

1989-05-15

Trajectories of Na{sup +} ions scattered from the Cu(110) surface in the <1 1bar 0> and <001> azimuths were studied for a range of incident energies from 56 eV to 4 keV. The goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, simulations were performed with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with the data. Ionmore » trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion-surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1 1bar 0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

DOE Office of Scientific and Technical Information (OSTI.GOV)

McEachern, R. L.; Goodstein, D. M.; Cooper, B. H.

1989-05-15

We have investigated the trajectories of Na/sup +/ ions scattered from the Cu(110) surface in the <1/bar 1/0> and <001> azimuths for a range of incident energies from 56 eV to 4 keV. Our goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, we have performed simulations with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with themore » data. Ion trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion--surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1/bar 1/0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

[Development of a digital chest phantom for studies on energy subtraction techniques].

PubMed

Hayashi, Norio; Taniguchi, Anna; Noto, Kimiya; Shimosegawa, Masayuki; Ogura, Toshihiro; Doi, Kunio

2014-03-01

Digital chest phantoms continue to play a significant role in optimizing imaging parameters for chest X-ray examinations. The purpose of this study was to develop a digital chest phantom for studies on energy subtraction techniques under ideal conditions without image noise. Computed tomography (CT) images from the LIDC (Lung Image Database Consortium) were employed to develop a digital chest phantom. The method consisted of the following four steps: 1) segmentation of the lung and bone regions on CT images; 2) creation of simulated nodules; 3) transformation to attenuation coefficient maps from the segmented images; and 4) projection from attenuation coefficient maps. To evaluate the usefulness of digital chest phantoms, we determined the contrast of the simulated nodules in projection images of the digital chest phantom using high and low X-ray energies, soft tissue images obtained by energy subtraction, and "gold standard" images of the soft tissues. Using our method, the lung and bone regions were segmented on the original CT images. The contrast of simulated nodules in soft tissue images obtained by energy subtraction closely matched that obtained using the gold standard images. We thus conclude that it is possible to carry out simulation studies based on energy subtraction techniques using the created digital chest phantoms. Our method is potentially useful for performing simulation studies for optimizing the imaging parameters in chest X-ray examinations.

Performance assessment of radiant cooling system integrated with desiccant assisted DOAS with solar regeneration

DOE Office of Scientific and Technical Information (OSTI.GOV)

Khan, Yasin; Singh, Gaurav; Mathur, Jyotirmay

The Radiant cooling system integrated with Dedicated Outdoor Air System (DOAS) is a viable substitution for conventional all air system in order to reduce primary energy consumption, as it decouples the cooling and ventilation task. In DOAS major portion of energy is consumed in cooling coil where it dehumidifies the process supply air. This study describes an alternate solution for dehumidification, with the substitution of the desiccant wheel with solar regeneration in place of a chilled water coil based dehumidifier. In this paper, simulations were carried out using EnergyPlus on a reference medium office building to investigate the contribution ofmore » solar energy towards the total energy consumption of desiccant assisted DOAS with radiant cooling system. To evaluate the system performance and energy saving potential, desiccant based DOAS is compared with cooling coil assisted DOAS integrated with Radiant cooling system. Simulations were carried out for different solar collector area to evaluate primary energy savings. Results indicate that from 7.4 % to 28.6 % energy saving (according to different collector area) can be achieved due to the solar regeneration in desiccant assisted DOAS, the impact of different solar collector area on potential of energy savings is also described.« less

Performance assessment of radiant cooling system integrated with desiccant assisted DOAS with solar regeneration

DOE PAGES

Khan, Yasin; Singh, Gaurav; Mathur, Jyotirmay; ...

2017-06-13

The Radiant cooling system integrated with Dedicated Outdoor Air System (DOAS) is a viable substitution for conventional all air system in order to reduce primary energy consumption, as it decouples the cooling and ventilation task. In DOAS major portion of energy is consumed in cooling coil where it dehumidifies the process supply air. This study describes an alternate solution for dehumidification, with the substitution of the desiccant wheel with solar regeneration in place of a chilled water coil based dehumidifier. In this paper, simulations were carried out using EnergyPlus on a reference medium office building to investigate the contribution ofmore » solar energy towards the total energy consumption of desiccant assisted DOAS with radiant cooling system. To evaluate the system performance and energy saving potential, desiccant based DOAS is compared with cooling coil assisted DOAS integrated with Radiant cooling system. Simulations were carried out for different solar collector area to evaluate primary energy savings. Results indicate that from 7.4 % to 28.6 % energy saving (according to different collector area) can be achieved due to the solar regeneration in desiccant assisted DOAS, the impact of different solar collector area on potential of energy savings is also described.« less

Simulation of adsorbed hydrogen on tungsten surface

NASA Astrophysics Data System (ADS)

Degtyarenko, N. N.; Pisarev, A. A.

2017-12-01

Calculations of the energy of the H-W system were performed using DFT method based on plane waves. Adsorption energies, equilibrium states, vibration spectra, saddle points, activation energies of jumps, and diffusion paths have been analyzed for H atom on W(100) and W(110). Diffusion coefficient for H on W(110) agrees very well with experimental data.

Comparative studies on structures, mechanical properties, sensitivity, stabilities and detonation performance of CL-20/TNT cocrystal and composite explosives by molecular dynamics simulation.

PubMed

Hang, Gui-Yun; Yu, Wen-Li; Wang, Tao; Wang, Jin-Tao; Li, Zhen

2017-09-19

To investigate and compare the differences of structures and properties of CL-20/TNT cocrystal and composite explosives, the CL-20/TNT cocrystal and composite models were established. Molecular dynamics simulations were performed to investigate the structures, mechanical properties, sensitivity, stabilities and detonation performance of cocrystal and composite models with COMPASS force field in NPT ensemble. The lattice parameters, mechanical properties, binding energies, interaction energy of trigger bond, cohesive energy density and detonation parameters were determined and compared. The results show that, compared with pure CL-20, the rigidity and stiffness of cocrystal and composite models decreased, while plastic properties and ductility increased, so mechanical properties can be effectively improved by adding TNT into CL-20 and the cocrystal model has better mechanical properties. The interaction energy of the trigger bond and the cohesive energy density is in the order of CL-20/TNT cocrystal > CL-20/TNT composite > pure CL-20, i.e., cocrystal model is less sensitive than CL-20 and the composite model, and has the best safety parameters. Binding energies show that the cocrystal model has higher intermolecular interaction energy values than the composite model, thus illustrating the better stability of the cocrystal model. Detonation parameters vary as CL-20 > cocrystal > composite, namely, the energy density and power of cocrystal and composite model are weakened; however, the CL-20/TNT cocrystal explosive still has desirable energy density and detonation performance. This results presented in this paper help offer some helpful guidance to better understand the mechanism of CL-20/TNT cocrystal explosives and provide some theoretical assistance for cocrystal explosive design.

A gas-dynamical approach to radiation pressure acceleration

NASA Astrophysics Data System (ADS)

Schmidt, Peter; Boine-Frankenheim, Oliver

2016-06-01

The study of high intensity ion beams driven by high power pulsed lasers is an active field of research. Of particular interest is the radiation pressure acceleration, for which simulations predict narrow band ion energies up to GeV. We derive a laser-piston model by applying techniques for non-relativistic gas-dynamics. The model reveals a laser intensity limit, below which sufficient laser-piston acceleration is impossible. The relation between target thickness and piston velocity as a function of the laser pulse length yields an approximation for the permissible target thickness. We performed one-dimensional Particle-In-Cell simulations to confirm the predictions of the analytical model. These simulations also reveal the importance of electromagnetic energy transport. We find that this energy transport limits the achievable compression and rarefies the plasma.

Wind Energy-Related Atmospheric Boundary Layer Large-Eddy Simulation Using OpenFOAM: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Churchfield, M.J.; Vijayakumar, G.; Brasseur, J.G.

This paper develops and evaluates the performance of a large-eddy simulation (LES) solver in computing the atmospheric boundary layer (ABL) over flat terrain under a variety of stability conditions, ranging from shear driven (neutral stratification) to moderately convective (unstable stratification).

Effect of Accessory Power Take-off Variation on a Turbofan Engine Performance

DTIC Science & Technology

2012-09-26

amount of energy from the low pressure spool shaft. A high bypass turbofan engine was modeled using the Numerical Propulsion System Simulation ( NPSS ...4 II.2 Power Extraction Techniques ..........................................................................8 II.3 NPSS ...Methodology and Simulation Setup ...........................................................................25 III.1 Engine NPSS Model

Characteristics of Bremsstrahlung emissions of (177)Lu, (188)Re, and (90)Y for SPECT/CT quantification in radionuclide therapy.

PubMed

Uribe, Carlos F; Esquinas, Pedro L; Gonzalez, Marjorie; Celler, Anna

2016-05-01

Beta particles emitted by radioisotopes used in targeted radionuclide therapies (TRT) create Bremsstrahlung (BRS) which may affect SPECT quantification when imaging these isotopes. The purpose of the current study was to investigate the characteristics of Bremsstrahlung produced in tissue by three β-emitting radioisotopes used in TRT. Monte Carlo simulations of (177)Lu, (188)Re, and (90)Y sources placed in water filled cylinders were performed. BRS yields, mean energies and energy spectra for (a) all photons generated in the decays, (b) photons that were not absorbed and leave the cylinder, and (c) photons detected by the camera were analyzed. Next, the results of simulations were compared with those from experiments performed on a clinical SPECT camera using same acquisition conditions and phantom configurations as in simulations. Simulations reproduced relatively well the shapes of the measured spectra, except for (90)Y which showed an overestimation in the low energy range. Detailed analysis of the results allowed us to suggest best collimators and imaging conditions for each of the investigated isotopes. Finally, our simulations confirmed that the BRS contribution to the energy spectra in quantitative imaging of (177)Lu and (188)Re could be ignored. For (177)Lu and (188)Re, BRS contributes only marginally to the total spectra recorded by the camera. Our analysis shows that MELP and HE collimators are the best for imaging these two isotopes. For (90)Y, HE collimator should be used. Copyright © 2016 Associazione Italiana di Fisica Medica. Published by Elsevier Ltd. All rights reserved.

SPOKES: An end-to-end simulation facility for spectroscopic cosmological surveys

DOE PAGES

Nord, B.; Amara, A.; Refregier, A.; ...

2016-03-03

The nature of dark matter, dark energy and large-scale gravity pose some of the most pressing questions in cosmology today. These fundamental questions require highly precise measurements, and a number of wide-field spectroscopic survey instruments are being designed to meet this requirement. A key component in these experiments is the development of a simulation tool to forecast science performance, define requirement flow-downs, optimize implementation, demonstrate feasibility, and prepare for exploitation. We present SPOKES (SPectrOscopic KEn Simulation), an end-to-end simulation facility for spectroscopic cosmological surveys designed to address this challenge. SPOKES is based on an integrated infrastructure, modular function organization, coherentmore » data handling and fast data access. These key features allow reproducibility of pipeline runs, enable ease of use and provide flexibility to update functions within the pipeline. The cyclic nature of the pipeline offers the possibility to make the science output an efficient measure for design optimization and feasibility testing. We present the architecture, first science, and computational performance results of the simulation pipeline. The framework is general, but for the benchmark tests, we use the Dark Energy Spectrometer (DESpec), one of the early concepts for the upcoming project, the Dark Energy Spectroscopic Instrument (DESI). As a result, we discuss how the SPOKES framework enables a rigorous process to optimize and exploit spectroscopic survey experiments in order to derive high-precision cosmological measurements optimally.« less

Assessment of the Neutronic and Fuel Cycle Performance of the Transatomic Power Molten Salt Reactor Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Robertson, Sean; Dewan, Leslie; Massie, Mark

This report presents results from a collaboration between Transatomic Power Corporation (TAP) and Oak Ridge National Laboratory (ORNL) to provide neutronic and fuel cycle analysis of the TAP core design through the Department of Energy Gateway for Accelerated Innovation in Nuclear (GAIN) Nuclear Energy Voucher program. The TAP concept is a molten salt reactor using configurable zirconium hydride moderator rod assemblies to shift the neutron spectrum in the core from mostly epithermal at beginning of life to thermal at end of life. Additional developments in the ChemTriton modeling and simulation tool provide the critical moderator-to-fuel ratio searches and time-dependent parametersmore » necessary to simulate the continuously changing physics in this complex system. The implementation of continuous-energy Monte Carlo transport and depletion tools in ChemTriton provide for full-core three-dimensional modeling and simulation. Results from simulations with these tools show agreement with TAP-calculated performance metrics for core lifetime, discharge burnup, and salt volume fraction, verifying the viability of reducing actinide waste production with this concept. Additional analyses of mass feed rates and enrichments, isotopic removals, tritium generation, core power distribution, core vessel helium generation, moderator rod heat deposition, and reactivity coeffcients provide additional information to make informed design decisions. This work demonstrates capabilities of ORNL modeling and simulation tools for neutronic and fuel cycle analysis of molten salt reactor concepts.« less

Hydrodynamics of an electrochemical membrane bioreactor.

PubMed

Wang, Ya-Zhou; Wang, Yun-Kun; He, Chuan-Shu; Yang, Hou-Yun; Sheng, Guo-Ping; Shen, Jin-You; Mu, Yang; Yu, Han-Qing

2015-05-22

An electrochemical membrane bioreactor (EMBR) has recently been developed for energy recovery and wastewater treatment. The hydrodynamics of the EMBR would significantly affect the mass transfers and reaction kinetics, exerting a pronounced effect on reactor performance. However, only scarce information is available to date. In this study, the hydrodynamic characteristics of the EMBR were investigated through various approaches. Tracer tests were adopted to generate residence time distribution curves at various hydraulic residence times, and three hydraulic models were developed to simulate the results of tracer studies. In addition, the detailed flow patterns of the EMBR were acquired from a computational fluid dynamics (CFD) simulation. Compared to the tank-in-series and axial dispersion ones, the Martin model could describe hydraulic performance of the EBMR better. CFD simulation results clearly indicated the existence of a preferential or circuitous flow in the EMBR. Moreover, the possible locations of dead zones in the EMBR were visualized through the CFD simulation. Based on these results, the relationship between the reactor performance and the hydrodynamics of EMBR was further elucidated relative to the current generation. The results of this study would benefit the design, operation and optimization of the EMBR for simultaneous energy recovery and wastewater treatment.

Hydrodynamics of an Electrochemical Membrane Bioreactor

PubMed Central

Wang, Ya-Zhou; Wang, Yun-Kun; He, Chuan-Shu; Yang, Hou-Yun; Sheng, Guo-Ping; Shen, Jin-You; Mu, Yang; Yu, Han-Qing

2015-01-01

An electrochemical membrane bioreactor (EMBR) has recently been developed for energy recovery and wastewater treatment. The hydrodynamics of the EMBR would significantly affect the mass transfers and reaction kinetics, exerting a pronounced effect on reactor performance. However, only scarce information is available to date. In this study, the hydrodynamic characteristics of the EMBR were investigated through various approaches. Tracer tests were adopted to generate residence time distribution curves at various hydraulic residence times, and three hydraulic models were developed to simulate the results of tracer studies. In addition, the detailed flow patterns of the EMBR were acquired from a computational fluid dynamics (CFD) simulation. Compared to the tank-in-series and axial dispersion ones, the Martin model could describe hydraulic performance of the EBMR better. CFD simulation results clearly indicated the existence of a preferential or circuitous flow in the EMBR. Moreover, the possible locations of dead zones in the EMBR were visualized through the CFD simulation. Based on these results, the relationship between the reactor performance and the hydrodynamics of EMBR was further elucidated relative to the current generation. The results of this study would benefit the design, operation and optimization of the EMBR for simultaneous energy recovery and wastewater treatment. PMID:25997399

Experimental determination of in situ utilization of lunar regolith for thermal energy storage

NASA Technical Reports Server (NTRS)

Richter, Scott W.

1992-01-01

A Lunar Thermal Energy from Regolith (LUTHER) experiment has been designed and fabricated at the NASA Lewis Research Center to determine the feasibility of using lunar soil as thermal energy storage media. The experimental apparatus includes an alumina ceramic canister which contains simulated lunar regolith, a heater, nine heat shields, a heat transfer cold jacket, and 19 type-B platinum rhodium thermocouples. The simulated lunar regolith is a basalt that closely resembles the lunar basalt returned to earth by the Apollo missions. The experiment will test the effects of vacuum, particle size, and density on the thermophysical properties of the regolith, which include melt temperature, specific heat thermal conductivity, and latent heat of storage. Two separate tests, using two different heaters, will be performed to study the effect of heating the system using radiative and conductive heat transfer. A finite differencing SINDA model was developed at NASA Lewis Research Center to predict the performance of the LUTHER experiment. The code will predict the effects of vacuum, particle size, and density has on the heat transfer to the simulated regolith.

Fully Resolved Simulations of Particle-Bed-Turbulence Interactions in Oscillatory Flows

NASA Astrophysics Data System (ADS)

Apte, S.; Ghodke, C.

2017-12-01

Particle-resolved direct numerical simulations (DNS) are performed to investigate the behavior of an oscillatory flow field over a bed of closely packed fixed spherical particles for a range of Reynolds numbers in transitional and rough turbulent flow regime. Presence of roughness leads to a substantial modification of the underlying boundary layer mechanism resulting in increased bed shear stress, reduction in the near-bed anisotropy, modification of the near-bed sweep and ejection motions along with marked changes in turbulent energy transport mechanisms. Characterization of such resulting flow field is performed by studying statistical descriptions of the near-bed turbulence for different roughness parameters. A double-averaging technique is employed to reveal spatial inhomogeneities at the roughness scale that provide alternate paths of energy transport in the turbulent kinetic energy (TKE) budget. Spatio-temporal characteristics of unsteady particle forces by studying their spatial distribution, temporal auto-correlations, frequency spectra, cross-correlations with near-bed turbulent flow variables and intermittency intermittency in the forces using the concept of impulse are investigated in detail. These first principle simulations provide substantial insights into the modeling of incipient motion of sediments.

Impacts of Climate Change on Energy Consumption and Peak Demand in Buildings: A Detailed Regional Approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dirks, James A.; Gorrissen, Willy J.; Hathaway, John E.

2015-01-01

This paper presents the results of numerous commercial and residential building simulations, with the purpose of examining the impact of climate change on peak and annual building energy consumption over the portion of the Eastern Interconnection (EIC) located in the United States. The climate change scenario considered (IPCC A2 scenario as downscaled from the CASCaDE data set) has changes in mean climate characteristics as well as changes in the frequency and duration of intense weather events. This investigation examines building energy demand for three annual periods representative of climate trends in the CASCaDE data set at the beginning, middle, andmore » end of the century--2004, 2052, and 2089. Simulations were performed using the Building ENergy Demand (BEND) model which is a detailed simulation platform built around EnergyPlus. BEND was developed in collaboration with the Platform for Regional Integrated Modeling and Analysis (PRIMA), a modeling framework designed to simulate the complex interactions among climate, energy, water, and land at decision-relevant spatial scales. Over 26,000 building configurations of different types, sizes, vintages, and, characteristics which represent the population of buildings within the EIC, are modeled across the 3 EIC time zones using the future climate from 100 locations within the target region, resulting in nearly 180,000 spatially relevant simulated demand profiles for each of the 3 years. In this study, the building stock characteristics are held constant based on the 2005 building stock in order to isolate and present results that highlight the impact of the climate signal on commercial and residential energy demand. Results of this analysis compare well with other analyses at their finest level of specificity. This approach, however, provides a heretofore unprecedented level of specificity across multiple spectrums including spatial, temporal, and building characteristics. This capability enables the ability to perform detailed hourly impact studies of building adaptation and mitigation strategies on energy use and electricity peak demand within the context of the entire grid and economy.« less

Molecular dynamics simulation aiming at interfacial characteristics of polymer chains on nanotubes with different layers

NASA Astrophysics Data System (ADS)

Li, Kun; Gu, Boqin; Zhu, Wanfu

2017-03-01

A molecular dynamics (MD) simulations study is performed on multiwalled carbon nanotubes (MWNTs)/acrylonitrile-butadiene rubber (NBR) composites. The physisorption and interfacial characteristics between the various MWNTs and polymer macromolecular chains are identified. The effects of nanotube layers on the nanotubes/polymer interactions are examined. Each of the situation result and surface features is characterized by binding energy (Eb). It is shown that the binding energy (Eb) increase with the number of layers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, John Russell

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.

The energy performance of prototype holographic glazings

NASA Astrophysics Data System (ADS)

Papamichael, K.; Beltran, L.; Furler, R.; Lee, E. S.; Selkowitz, S.; Rubin, M.

1993-02-01

We report on the simulation of the energy performance of prototype holographic glazings in commercial office buildings in a California climate. These prototype glazings, installed above conventional side windows, are designed to diffract the transmitted solar radiation and reflect it off the ceiling, providing adequate daylight illumination for typical office tasks up to 10m from the window. In this study, we experimentally determined a comprehensive set of solar-optical properties and characterized the contribution of the prototype holographic glazings to workplane illuminance in a scale model of a typical office space. We then used the scale model measurements to simulate the energy performance of the holographic glazings over the course of an entire year for four window orientations (North, East, South and West) for the inland Los Angeles climate, using the DOE-2.lD building energy analysis computer program. The results of our experimental analyses indicate that these prototype holographic glazings diffract only a small fraction of the incident light. The results of this study indicate that these prototype holographic glazings will not save energy in commercial office buildings. Their performance is very similar to that of clear glass, which, through side windows, cannot efficiently illuminate more than a 4-6 m depth of a building's perimeter, because the cooling penalties due to solar heat gain are greater than the electric lighting savings due to daylighting.

MAGNETIC NULL POINTS IN KINETIC SIMULATIONS OF SPACE PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olshevsky, Vyacheslav; Innocenti, Maria Elena; Cazzola, Emanuele

2016-03-01

We present a systematic attempt to study magnetic null points and the associated magnetic energy conversion in kinetic particle-in-cell simulations of various plasma configurations. We address three-dimensional simulations performed with the semi-implicit kinetic electromagnetic code iPic3D in different setups: variations of a Harris current sheet, dipolar and quadrupolar magnetospheres interacting with the solar wind, and a relaxing turbulent configuration with multiple null points. Spiral nulls are more likely created in space plasmas: in all our simulations except lunar magnetic anomaly (LMA) and quadrupolar mini-magnetosphere the number of spiral nulls prevails over the number of radial nulls by a factor of 3–9.more » We show that often magnetic nulls do not indicate the regions of intensive energy dissipation. Energy dissipation events caused by topological bifurcations at radial nulls are rather rare and short-lived. The so-called X-lines formed by the radial nulls in the Harris current sheet and LMA simulations are rather stable and do not exhibit any energy dissipation. Energy dissipation is more powerful in the vicinity of spiral nulls enclosed by magnetic flux ropes with strong currents at their axes (their cross sections resemble 2D magnetic islands). These null lines reminiscent of Z-pinches efficiently dissipate magnetic energy due to secondary instabilities such as the two-stream or kinking instability, accompanied by changes in magnetic topology. Current enhancements accompanied by spiral nulls may signal magnetic energy conversion sites in the observational data.« less

Impacts of Using Distributed Energy Resources to Reduce Peak Loads in Vermont

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruth, Mark F.; Lunacek, Monte S.; Jones, Birk

To help the United States develop a modern electricity grid that provides reliable power from multiple resources as well as resiliency under extreme conditions, the U.S. Department of Energy (DOE) is leading the Grid Modernization Initiative (GMI) to help shape the future of the nation's grid. Under the GMI, DOE funded the Vermont Regional Initiative project to provide the technical support and analysis to utilities that need to mitigate possible impacts of increasing renewable generation required by statewide goals. Advanced control of distributed energy resources (DER) can both support higher penetrations of renewable energy by balancing controllable loads to windmore » and photovoltaic (PV) solar generation and reduce peak demand by shedding noncritical loads. This work focuses on the latter. This document reports on an experiment that evaluated and quantified the potential benefits and impacts of reducing the peak load through demand response (DR) using centrally controllable electric water heaters (EWHs) and batteries on two Green Mountain Power (GMP) feeders. The experiment simulated various hypothetical scenarios that varied the number of controllable EWHs, the amount of distributed PV systems, and the number of distributed residential batteries. The control schemes were designed with several objectives. For the first objective, the primary simulations focused on reducing the load during the independent system operator (ISO) peak when capacity charges were the primary concern. The second objective was to mitigate DR rebound to avoid new peak loads and high ramp rates. The final objective was to minimize customers' discomfort, which is defined by the lack of hot water when it is needed. We performed the simulations using the National Renewable Energy Laboratory's (NREL's) Integrated Energy System Model (IESM) because it can simulate both electric power distribution feeder and appliance end use performance and it includes the ability to simulate multiple control strategies.« less

On the MAC/network/energy performance evaluation of Wireless Sensor Networks: Contrasting MPH, AODV, DSR and ZTR routing protocols.

PubMed

Del-Valle-Soto, Carolina; Mex-Perera, Carlos; Orozco-Lugo, Aldo; Lara, Mauricio; Galván-Tejada, Giselle M; Olmedo, Oscar

2014-12-02

Wireless Sensor Networks deliver valuable information for long periods, then it is desirable to have optimum performance, reduced delays, low overhead, and reliable delivery of information. In this work, proposed metrics that influence energy consumption are used for a performance comparison among our proposed routing protocol, called Multi-Parent Hierarchical (MPH), the well-known protocols for sensor networks, Ad hoc On-Demand Distance Vector (AODV), Dynamic Source Routing (DSR), and Zigbee Tree Routing (ZTR), all of them working with the IEEE 802.15.4 MAC layer. Results show how some communication metrics affect performance, throughput, reliability and energy consumption. It can be concluded that MPH is an efficient protocol since it reaches the best performance against the other three protocols under evaluation, such as 19.3% reduction of packet retransmissions, 26.9% decrease of overhead, and 41.2% improvement on the capacity of the protocol for recovering the topology from failures with respect to AODV protocol. We implemented and tested MPH in a real network of 99 nodes during ten days and analyzed parameters as number of hops, connectivity and delay, in order to validate our Sensors 2014, 14 22812 simulator and obtain reliable results. Moreover, an energy model of CC2530 chip is proposed and used for simulations of the four aforementioned protocols, showing that MPH has 15.9% reduction of energy consumption with respect to AODV, 13.7% versus DSR, and 5% against ZTR.

Characteristics of energy harvesting using BaTiO3/Cu laminates with changes in temperature

NASA Astrophysics Data System (ADS)

Mori, K.; Takeuchi, H.; Narita, F.

2018-03-01

The energy harvesting characteristics of piezoelectric/copper (BaTiO3/Cu) laminates rising from sharp temperature changes were investigated both numerically and experimentally. First, a phase field simulation was performed to determine the temperature-dependent piezoelectric coefficient and permittivity values. Then, the output voltages of the BaTiO3/Cu laminates were calculated for variations from room temperature to either a cryogenic temperature (77 K) or a higher temperature (333 K) using a 3D finite element simulation with the properties calculated from the phase field simulation. Finally, the output voltages of the piezoelectric BaTiO3/Cu laminates were measured for the same temperature changes and were compared to the simulation results.

Monte Carlo studies of medium-size telescope designs for the Cherenkov Telescope Array

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wood, M. D.; Jogler, T.; Dumm, J.

In this paper, we present studies for optimizing the next generation of ground-based imaging atmospheric Cherenkov telescopes (IACTs). Results focus on mid-sized telescopes (MSTs) for CTA, detecting very high energy gamma rays in the energy range from a few hundred GeV to a few tens of TeV. We describe a novel, flexible detector Monte Carlo package, FAST (FAst Simulation for imaging air cherenkov Telescopes), that we use to simulate different array and telescope designs. The simulation is somewhat simplified to allow for efficient exploration over a large telescope design parameter space. We investigate a wide range of telescope performance parametersmore » including optical resolution, camera pixel size, and light collection area. In order to ensure a comparison of the arrays at their maximum sensitivity, we analyze the simulations with the most sensitive techniques used in the field, such as maximum likelihood template reconstruction and boosted decision trees for background rejection. Choosing telescope design parameters representative of the proposed Davies–Cotton (DC) and Schwarzchild–Couder (SC) MST designs, we compare the performance of the arrays by examining the gamma-ray angular resolution and differential point-source sensitivity. We further investigate the array performance under a wide range of conditions, determining the impact of the number of telescopes, telescope separation, night sky background, and geomagnetic field. We find a 30–40% improvement in the gamma-ray angular resolution at all energies when comparing arrays with an equal number of SC and DC telescopes, significantly enhancing point-source sensitivity in the MST energy range. Finally, we attribute the increase in point-source sensitivity to the improved optical point-spread function and smaller pixel size of the SC telescope design.« less

Monte Carlo studies of medium-size telescope designs for the Cherenkov Telescope Array

DOE PAGES

Wood, M. D.; Jogler, T.; Dumm, J.; ...

2015-06-07

In this paper, we present studies for optimizing the next generation of ground-based imaging atmospheric Cherenkov telescopes (IACTs). Results focus on mid-sized telescopes (MSTs) for CTA, detecting very high energy gamma rays in the energy range from a few hundred GeV to a few tens of TeV. We describe a novel, flexible detector Monte Carlo package, FAST (FAst Simulation for imaging air cherenkov Telescopes), that we use to simulate different array and telescope designs. The simulation is somewhat simplified to allow for efficient exploration over a large telescope design parameter space. We investigate a wide range of telescope performance parametersmore » including optical resolution, camera pixel size, and light collection area. In order to ensure a comparison of the arrays at their maximum sensitivity, we analyze the simulations with the most sensitive techniques used in the field, such as maximum likelihood template reconstruction and boosted decision trees for background rejection. Choosing telescope design parameters representative of the proposed Davies–Cotton (DC) and Schwarzchild–Couder (SC) MST designs, we compare the performance of the arrays by examining the gamma-ray angular resolution and differential point-source sensitivity. We further investigate the array performance under a wide range of conditions, determining the impact of the number of telescopes, telescope separation, night sky background, and geomagnetic field. We find a 30–40% improvement in the gamma-ray angular resolution at all energies when comparing arrays with an equal number of SC and DC telescopes, significantly enhancing point-source sensitivity in the MST energy range. Finally, we attribute the increase in point-source sensitivity to the improved optical point-spread function and smaller pixel size of the SC telescope design.« less

Fast computation of high energy elastic collision scattering angle for electric propulsion plume simulation

NASA Astrophysics Data System (ADS)

Araki, Samuel J.

2016-11-01

In the plumes of Hall thrusters and ion thrusters, high energy ions experience elastic collisions with slow neutral atoms. These collisions involve a process of momentum exchange, altering the initial velocity vectors of the collision pair. In addition to the momentum exchange process, ions and atoms can exchange electrons, resulting in slow charge-exchange ions and fast atoms. In these simulations, it is particularly important to accurately perform computations of ion-atom elastic collisions in determining the plume current profile and assessing the integration of spacecraft components. The existing models are currently capable of accurate calculation but are not fast enough such that the calculation can be a bottleneck of plume simulations. This study investigates methods to accelerate an ion-atom elastic collision calculation that includes both momentum- and charge-exchange processes. The scattering angles are pre-computed through a classical approach with ab initio spin-orbit free potential and are stored in a two-dimensional array as functions of impact parameter and energy. When performing a collision calculation for an ion-atom pair, the scattering angle is computed by a table lookup and multiple linear interpolations, given the relative energy and randomly determined impact parameter. In order to further accelerate the calculations, the number of collision calculations is reduced by properly defining two cut-off cross-sections for the elastic scattering. In the MCC method, the target atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play a significant role in typical electric propulsion plume simulations such that the sampling process is unnecessary. With these implementations, the computational run-time to perform a collision calculation is reduced significantly compared to previous methods, while retaining the accuracy of the high fidelity models.

Load management strategy for Particle-In-Cell simulations in high energy particle acceleration

NASA Astrophysics Data System (ADS)

Beck, A.; Frederiksen, J. T.; Dérouillat, J.

2016-09-01

In the wake of the intense effort made for the experimental CILEX project, numerical simulation campaigns have been carried out in order to finalize the design of the facility and to identify optimal laser and plasma parameters. These simulations bring, of course, important insight into the fundamental physics at play. As a by-product, they also characterize the quality of our theoretical and numerical models. In this paper, we compare the results given by different codes and point out algorithmic limitations both in terms of physical accuracy and computational performances. These limitations are illustrated in the context of electron laser wakefield acceleration (LWFA). The main limitation we identify in state-of-the-art Particle-In-Cell (PIC) codes is computational load imbalance. We propose an innovative algorithm to deal with this specific issue as well as milestones towards a modern, accurate high-performance PIC code for high energy particle acceleration.

A Distributed Data-Gathering Protocol Using AUV in Underwater Sensor Networks.

PubMed

Khan, Jawaad Ullah; Cho, Ho-Shin

2015-08-06

In this paper, we propose a distributed data-gathering scheme using an autonomous underwater vehicle (AUV) working as a mobile sink to gather data from a randomly distributed underwater sensor network where sensor nodes are clustered around several cluster headers. Unlike conventional data-gathering schemes where the AUV visits either every node or every cluster header, the proposed scheme allows the AUV to visit some selected nodes named path-nodes in a way that reduces the overall transmission power of the sensor nodes. Monte Carlo simulations are performed to investigate the performance of the proposed scheme compared with several preexisting techniques employing the AUV in terms of total amount of energy consumption, standard deviation of each node's energy consumption, latency to gather data at a sink, and controlling overhead. Simulation results show that the proposed scheme not only reduces the total energy consumption but also distributes the energy consumption more uniformly over the network, thereby increasing the lifetime of the network.

A Distributed Data-Gathering Protocol Using AUV in Underwater Sensor Networks

PubMed Central

Khan, Jawaad Ullah; Cho, Ho-Shin

2015-01-01

In this paper, we propose a distributed data-gathering scheme using an autonomous underwater vehicle (AUV) working as a mobile sink to gather data from a randomly distributed underwater sensor network where sensor nodes are clustered around several cluster headers. Unlike conventional data-gathering schemes where the AUV visits either every node or every cluster header, the proposed scheme allows the AUV to visit some selected nodes named path-nodes in a way that reduces the overall transmission power of the sensor nodes. Monte Carlo simulations are performed to investigate the performance of the proposed scheme compared with several preexisting techniques employing the AUV in terms of total amount of energy consumption, standard deviation of each node’s energy consumption, latency to gather data at a sink, and controlling overhead. Simulation results show that the proposed scheme not only reduces the total energy consumption but also distributes the energy consumption more uniformly over the network, thereby increasing the lifetime of the network. PMID:26287189

Dispatchable Renewable Energy Model for Microgrid Power System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiou, Fred; Gentle, Jake P.; McJunkin, Timothy R.

2017-04-01

Over the years, many research projects have been performed and focused on finding out the effective ways to balance the power demands and supply on the utility grid. The causes of the imbalance could be the increasing demands from the end users, the loss of power generation (generators down), faults on the transmission lines, power tripped due to overload, and weather conditions, etc. An efficient Load Frequency Control (LFC) can assure the desired electricity quality provided to the residential, commercial and industrial end users. A simulation model is built in this project to investigate the contribution of the modeling ofmore » dispatchable energy such as solar energy, wind power, hydro power and energy storage to the balance of the microgrid power system. An analysis of simplified feedback control system with proportional, integral, and derivative (PID) controller was performed. The purpose of this research is to investigate a simulation model that achieves certain degree of the resilient control for the microgrid.« less

INFLUENCE OF MASS ON DISPLACEMENT THRESHOLD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Setyawan, Wahyu; Selby, A.; Nandipati, Giridhar

2014-12-30

Molecular dynamics simulations are performed to investigate the effect of mass on displacement threshold energy in Cr, Mo, Fe and W. For each interatomic potential, the mass of the atoms is varied among those metals for a total of 16 combinations. The average threshold energy over all crystal directions is calculated within the irreducible crystal directions using appropriate weighting factors. The weighting factors account for the different number of equivalent directions among the grid points and the different solid angle coverage of each grid point. The grid points are constructed with a Miller index increment of 1/24 for a totalmore » of 325 points. For each direction, 10 simulations each with a different primary-knock-on atom are performed. The results show that for each interatomic potential, the average threshold energy is insensitive to the mass; i.e., the values are the same within the standard error. In the future, the effect of mass on high-energy cascades for a given interatomic potential will be investigated.« less

Maximum power point tracking techniques for wind energy systems using three levels boost converter

NASA Astrophysics Data System (ADS)

Tran, Cuong Hung; Nollet, Frédéric; Essounbouli, Najib; Hamzaoui, Abdelaziz

2018-05-01

This paper presents modeling and simulation of three level Boost DC-DC converter in Wind Energy Conversion System (WECS). Three-level Boost converter has significant advantage compared to conventional Boost. A maximum power point tracking (MPPT) method for a variable speed wind turbine using permanent magnet synchronous generator (PMSG) is also presented. Simulation of three-level Boost converter topology with Perturb and Observe algorithm and Fuzzy Logic Control is implemented in MATLAB/SIMULINK. Results of this simulation show that the system with MPPT using fuzzy logic controller has better performance to the Perturb and Observe algorithm: fast response under changing conditions and small oscillation.

Simulation of the West African Monsoon using the MIT Regional Climate Model

NASA Astrophysics Data System (ADS)

Im, Eun-Soon; Gianotti, Rebecca L.; Eltahir, Elfatih A. B.

2013-04-01

We test the performance of the MIT Regional Climate Model (MRCM) in simulating the West African Monsoon. MRCM introduces several improvements over Regional Climate Model version 3 (RegCM3) including coupling of Integrated Biosphere Simulator (IBIS) land surface scheme, a new albedo assignment method, a new convective cloud and rainfall auto-conversion scheme, and a modified boundary layer height and cloud scheme. Using MRCM, we carried out a series of experiments implementing two different land surface schemes (IBIS and BATS) and three convection schemes (Grell with the Fritsch-Chappell closure, standard Emanuel, and modified Emanuel that includes the new convective cloud scheme). Our analysis primarily focused on comparing the precipitation characteristics, surface energy balance and large scale circulations against various observations. We document a significant sensitivity of the West African monsoon simulation to the choices of the land surface and convection schemes. In spite of several deficiencies, the simulation with the combination of IBIS and modified Emanuel schemes shows the best performance reflected in a marked improvement of precipitation in terms of spatial distribution and monsoon features. In particular, the coupling of IBIS leads to representations of the surface energy balance and partitioning that are consistent with observations. Therefore, the major components of the surface energy budget (including radiation fluxes) in the IBIS simulations are in better agreement with observation than those from our BATS simulation, or from previous similar studies (e.g Steiner et al., 2009), both qualitatively and quantitatively. The IBIS simulations also reasonably reproduce the dynamical structure of vertically stratified behavior of the atmospheric circulation with three major components: westerly monsoon flow, African Easterly Jet (AEJ), and Tropical Easterly Jet (TEJ). In addition, since the modified Emanuel scheme tends to reduce the precipitation amount, it improves the precipitation over regions suffering from systematic wet bias.

Semiconductors Under Ion Radiation: Ultrafast Electron-Ion Dynamics in Perfect Crystals and the Effect of Defects

NASA Astrophysics Data System (ADS)

Lee, Cheng-Wei; Schleife, André

Stability and safety issues have been challenging difficulties for materials and devices under radiation such as solar panels in outer space. On the other hand, radiation can be utilized to modify materials and increase their performance via focused-ion beam patterning at nano-scale. In order to grasp the underlying processes, further understanding of the radiation-material and radiation-defect interactions is required and inevitably involves the electron-ion dynamics that was traditionally hard to capture. By applying Ehrenfest dynamics based on time-dependent density functional theory, we have been able to perform real-time simulation of electron-ion dynamics in MgO and InP/GaP. By simulating a high-energy proton penetrating the material, the energy gain of electronic system can be interpreted as electronic stopping power and the result is compared to existing data. We also study electronic stopping in the vicinity of defects: for both oxygen vacancy in MgO and interface of InP/GaP superlattice, electronic stopping shows strong dependence on the velocity of the proton. To study the energy transfer from electronic system to lattice, simulations of about 100 femto-seconds are performed and we analyze the difference between Ehrenfest and Born-Oppenheimer molecular dynamics.

Simulation and optimal control of wind-farm boundary layers

NASA Astrophysics Data System (ADS)

Meyers, Johan; Goit, Jay

2014-05-01

In large wind farms, the effect of turbine wakes, and their interaction leads to a reduction in farm efficiency, with power generated by turbines in a farm being lower than that of a lone-standing turbine by up to 50%. In very large wind farms or `deep arrays', this efficiency loss is related to interaction of the wind farms with the planetary boundary layer, leading to lower wind speeds at turbine level. Moreover, for these cases it has been demonstrated both in simulations and wind-tunnel experiments that the wind-farm energy extraction is dominated by the vertical turbulent transport of kinetic energy from higher regions in the boundary layer towards the turbine level. In the current study, we investigate the use of optimal control techniques combined with Large-Eddy Simulations (LES) of wind-farm boundary layer interaction for the increase of total energy extraction in very large `infinite' wind farms. We consider the individual wind turbines as flow actuators, whose energy extraction can be dynamically regulated in time so as to optimally influence the turbulent flow field, maximizing the wind farm power. For the simulation of wind-farm boundary layers we use large-eddy simulations in combination with actuator-disk and actuator-line representations of wind turbines. Simulations are performed in our in-house pseudo-spectral code SP-Wind that combines Fourier-spectral discretization in horizontal directions with a fourth-order finite-volume approach in the vertical direction. For the optimal control study, we consider the dynamic control of turbine-thrust coefficients in an actuator-disk model. They represent the effect of turbine blades that can actively pitch in time, changing the lift- and drag coefficients of the turbine blades. Optimal model-predictive control (or optimal receding horizon control) is used, where the model simply consists of the full LES equations, and the time horizon is approximately 280 seconds. The optimization is performed using a nonlinear conjugate gradient method, and the gradients are calculated by solving the adjoint LES equations. We find that the extracted farm power increases by approximately 20% when using optimal model-predictive control. However, the increased power output is also responsible for an increase in turbulent dissipation, and a deceleration of the boundary layer. Further investigating the energy balances in the boundary layer, it is observed that this deceleration is mainly occurring in the outer layer as a result of higher turbulent energy fluxes towards the turbines. In a second optimization case, we penalize boundary-layer deceleration, and find an increase of energy extraction of approximately 10%. In this case, increased energy extraction is balanced by a reduction in of turbulent dissipation in the boundary layer. J.M. acknowledges support from the European Research Council (FP7-Ideas, grant no. 306471). Simulations were performed on the computing infrastructure of the VSC Flemish Supercomputer Center, funded by the Hercules Foundation and the Flemish Government.

Standardized performance tests of collectors of solar thermal energy: Prototype moderately concentrating grooved collectors

NASA Technical Reports Server (NTRS)

1976-01-01

Prototypes of moderately concentrating grooved collectors were tested with a solar simulator for varying inlet temperature, flux level, and incident angle. Collector performance is correlated in terms of inlet temperature and flux level.

A Combined Experimental and Computational Study on the Stability of Nanofluids Containing Metal Organic Frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Annapureddy, Harsha Vardhan Reddy; Nune, Satish K.; Motkuri, Radha K.

2015-01-08

Computational studies on nanofluids composed of metal organic frameworks (MOFs) were performed using molecular modeling techniques. Grand Canonical Monte Carlo (GCMC) simulations were used to study adsorption behavior of 1,1,1,3,3-pentafluoropropane (R-245fa) in a MIL-101 MOF at various temperatures. To understand the stability of the nanofluid composed of MIL-101 particles, we performed molecular dynamics simulations to compute potentials of mean force between hypothetical MIL-101 fragments terminated with two different kinds of modulators in R-245fa and water. Our computed potentials of mean force results indicate that the MOF particles tend to disperse better in water than in R-245fa. The reasons for thismore » observation were analyzed and discussed. Our results agree with experimental results indicating that the employed potential models and modeling approaches provide good description of molecular interactions and the reliabilities. Work performed by LXD was supported by the U.S. Department of Energy (DOE), Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Work performed by HVRA, SKN, RKM, and PBM was supported by the Office of Energy Efficiency and Renewable Energy, Geothermal Technologies Program. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for DOE by Battelle.« less

DISTRIBUTED GRID-CONNECTED PHOTOVOLTAIC POWER SYSTEM EMISSION OFFSET ASSESSMENT: STATISTICAL TEST OF SIMULATED- AND MEASURED-BASED DATA

EPA Science Inventory

This study assessed the pollutant emission offset potential of distributed grid-connected photovoltaic (PV) power systems. Computer-simulated performance results were utilized for 211 PV systems located across the U.S. The PV systems' monthly electrical energy outputs were based ...

Energy absorption ability of buckyball C720 at low impact speed: a numerical study based on molecular dynamics

PubMed Central

2013-01-01

The dynamic impact response of giant buckyball C720 is investigated by using molecular dynamics simulations. The non-recoverable deformation of C720 makes it an ideal candidate for high-performance energy absorption. Firstly, mechanical behaviors under dynamic impact and low-speed crushing are simulated and modeled, which clarifies the buckling-related energy absorption mechanism. One-dimensional C720 arrays (both vertical and horizontal alignments) are studied at various impact speeds, which show that the energy absorption ability is dominated by the impact energy per buckyball and less sensitive to the number and arrangement direction of buckyballs. Three-dimensional stacking of buckyballs in simple cubic, body-centered cubic, hexagonal, and face-centered cubic forms are investigated. Stacking form with higher occupation density yields higher energy absorption. The present study may shed lights on employing C720 assembly as an advanced energy absorption system against low-speed impacts. PMID:23360618

Kinetic Energy Recovery from the Chimney Flue Gases Using Ducted Turbine System

NASA Astrophysics Data System (ADS)

Mann, Harjeet S.; Singh, Pradeep K.

2017-03-01

An innovative idea of extracting kinetic energy from man-made wind resources using ducted turbine system for on-site power generation is introduced in this paper. A horizontal axis ducted turbine is attached to the top of the chimney to harness the kinetic energy of flue gases for producing electricity. The turbine system is positioned beyond the chimney outlet, to avoid any negative impact on the chimney performance. The convergent-divergent duct causes increase in the flue gas velocity and hence enhances the performance of the turbine. It also acts as a safety cover to the energy recovery system. The results from the CFD based simulation analysis indicate that significant power 34 kW can be harnessed from the chimney exhaust. The effect of airfoils NACA4412 and NACA4416 and the diffuser angle on the power extraction by the energy recovery system using a 6-bladed ducted turbine has been studied with the CFD simulation. It is observed that the average flue gas velocity in the duct section at the throat is approximately twice that of the inlet velocity, whereas maximum velocity achieved is 2.6 times the inlet velocity. The simulated results show that about power may be extracted from the chimney flue gases of 660 MW power plant. The system can be retrofitted to existing chimneys of thermal power plants, refineries and other industries.

Analysis of energy recovery potential using innovative technologies of waste gasification.

PubMed

Lombardi, Lidia; Carnevale, Ennio; Corti, Andrea

2012-04-01

In this paper, two alternative thermo-chemical processes for waste treatment were analysed: high temperature gasification and gasification associated to plasma process. The two processes were analysed from the thermodynamic point of view, trying to reconstruct two simplified models, using appropriate simulation tools and some support data from existing/planned plants, able to predict the energy recovery performances by process application. In order to carry out a comparative analysis, the same waste stream input was considered as input to the two models and the generated results were compared. The performances were compared with those that can be obtained from conventional combustion with energy recovery process by means of steam turbine cycle. Results are reported in terms of energy recovery performance indicators as overall energy efficiency, specific energy production per unit of mass of entering waste, primary energy source savings, specific carbon dioxide production. Copyright © 2011 Elsevier Ltd. All rights reserved.

Analytical Simulations of Energy-Absorbing Impact Spheres for a Mars Sample Return Earth Entry Vehicle

NASA Technical Reports Server (NTRS)

Billings, Marcus Dwight; Fasanella, Edwin L. (Technical Monitor)

2002-01-01

Nonlinear dynamic finite element simulations were performed to aid in the design of an energy-absorbing impact sphere for a passive Earth Entry Vehicle (EEV) that is a possible architecture for the Mars Sample Return (MSR) mission. The MSR EEV concept uses an entry capsule and energy-absorbing impact sphere designed to contain and limit the acceleration of collected samples during Earth impact without a parachute. The spherical shaped impact sphere is composed of solid hexagonal and pentagonal foam-filled cells with hybrid composite, graphite-epoxy/Kevlar cell walls. Collected Martian samples will fit inside a smaller spherical sample container at the center of the EEV's cellular structure. Comparisons were made of analytical results obtained using MSC.Dytran with test results obtained from impact tests performed at NASA Langley Research Center for impact velocities from 30 to 40 m/s. Acceleration, velocity, and deformation results compared well with the test results. The correlated finite element model was then used for simulations of various off-nominal impact scenarios. Off-nominal simulations at an impact velocity of 40 m/s included a rotated cellular structure impact onto a flat surface, a cellular structure impact onto an angled surface, and a cellular structure impact onto the corner of a step.

Atomistic observation and simulation analysis of spatio-temporal fluctuations during radiation-induced amorphization.

PubMed

Watanabe, Seiichi; Hoshino, Misaki; Koike, Takuto; Suda, Takanori; Ohnuki, Soumei; Takahashi, Heishichirou; Lam, Nighi Q

2003-01-01

We performed a dynamical-atomistic study of radiation-induced amorphization in the NiTi intermetallic compound using in situ high-resolution high-voltage electron microscopy and molecular dynamics simulations in connection with image simulation. Spatio-temporal fluctuations as non-equilibrium fluctuations in an energy-dissipative system, due to transient atom-cluster formation during amorphization, were revealed by the present spatial autocorrelation analysis.

Radar Cross Section (RCS) Simulation for Wind Turbines

DTIC Science & Technology

2013-06-01

SECTION (RCS) SIMULATION FOR WIND TURBINES by Cuong Ton June 2013 Thesis Advisor: David C. Jenn Second Reader: Ric Romero THIS PAGE...TITLE AND SUBTITLE RADAR CROSS SECTION (RCS) SIMULATION FOR WIND TURBINES 5. FUNDING NUMBERS 6. AUTHOR(S) Cuong Ton 7. PERFORMING ORGANIZATION...ABSTRACT (maximum 200 words) Wind - turbine power provides energy-independence and greenhouse-gas reduction benefits, but if wind turbines are built

Free-Energy Profiles of Membrane Insertion of the M2 Transmembrane Peptide from Influenza A Virus

DTIC Science & Technology

2008-12-01

ABSTRACT The insertion of the M2 transmembrane peptide from influenza A virus into a membrane has been studied with molecular - dynamics simulations ...performed replica-exchange molecular - dynamics simulations with umbrella-sampling techniques to characterize the probability distribution and conformation...atomic- detailed molecular dynamics (MD) simulation techniques represent a valuable complementary methodology to inves- tigate membrane-insertion of

Interaction of hydraulic and buckling mechanisms in blowout fractures.

PubMed

Nagasao, Tomohisa; Miyamoto, Junpei; Jiang, Hua; Tamaki, Tamotsu; Kaneko, Tsuyoshi

2010-04-01

The etiology of blowout fractures is generally attributed to 2 mechanisms--increase in the pressure of the orbital contents (the hydraulic mechanism) and direct transmission of impacts on the orbital walls (the buckling mechanism). The present study aims to elucidate whether or not an interaction exists between these 2 mechanisms. We performed a simulation experiment using 10 Computer-Aided-Design skull models. We applied destructive energy to the orbits of the 10 models in 3 different ways. First, to simulate pure hydraulic mechanism, energy was applied solely on the internal walls of the orbit. Second, to simulate pure buckling mechanism, energy was applied solely on the inferior rim of the orbit. Third, to simulate the combined effect of the hydraulic and buckling mechanisms, energy was applied both on the internal wall of the orbit and inferior rim of the orbit. After applying the energy, we calculated the areas of the regions where fracture occurred in the models. Thereafter, we compared the areas among the 3 energy application patterns. When the hydraulic and buckling mechanisms work simultaneously, fracture occurs on wider areas of the orbital walls than when each of these mechanisms works separately. The hydraulic and buckling mechanisms interact, enhancing each other's effect. This information should be taken into consideration when we examine patients in whom blowout fracture is suspected.

DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics

NASA Astrophysics Data System (ADS)

Wang, Han; Zhang, Linfeng; Han, Jiequn; E, Weinan

2018-07-01

Recent developments in many-body potential energy representation via deep learning have brought new hopes to addressing the accuracy-versus-efficiency dilemma in molecular simulations. Here we describe DeePMD-kit, a package written in Python/C++ that has been designed to minimize the effort required to build deep learning based representation of potential energy and force field and to perform molecular dynamics. Potential applications of DeePMD-kit span from finite molecules to extended systems and from metallic systems to chemically bonded systems. DeePMD-kit is interfaced with TensorFlow, one of the most popular deep learning frameworks, making the training process highly automatic and efficient. On the other end, DeePMD-kit is interfaced with high-performance classical molecular dynamics and quantum (path-integral) molecular dynamics packages, i.e., LAMMPS and the i-PI, respectively. Thus, upon training, the potential energy and force field models can be used to perform efficient molecular simulations for different purposes. As an example of the many potential applications of the package, we use DeePMD-kit to learn the interatomic potential energy and forces of a water model using data obtained from density functional theory. We demonstrate that the resulted molecular dynamics model reproduces accurately the structural information contained in the original model.

Performative building envelope design correlated to solar radiation and cooling energy consumption

NASA Astrophysics Data System (ADS)

Jacky, Thiodore; Santoni

2017-11-01

Climate change as an ongoing anthropogenic environmental challenge is predominantly caused by an amplification in the amount of greenhouse gases (GHGs), notably carbon dioxide (CO2) in building sector. Global CO2 emissions are emitted from HVAC (Heating, Ventilation, and Air Conditioning) occupation to provide thermal comfort in building. In fact, the amount of energy used for cooling or heating building is implication of building envelope design. Building envelope acts as interface layer of heat transfer between outdoor environment and the interior of a building. It appears as wall, window, roof and external shading device. This paper examines performance of various design strategy on building envelope to limit solar radiation and reduce cooling loads in tropical climate. The design strategies are considering orientation, window to wall ratio, material properties, and external shading device. This research applied simulation method using Autodesk Ecotect to investigate simultaneously between variations of wall and window ratio, shading device composition and the implication to the amount of solar radiation, cooling energy consumption. Comparative analysis on the data will determine logical variation between opening and shading device composition and cooling energy consumption. Optimizing the building envelope design is crucial strategy for reducing CO2 emissions and long-term energy reduction in building sector. Simulation technology as feedback loop will lead to better performative building envelope.

Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report Phase I

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmalz, Mark S

2011-07-24

Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G}more » for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient parallel computation of particle and fluid dynamics simulations. These problems occur throughout DOE, military and commercial sectors: the potential payoff is high. We plan to license or sell the solution to contractors for military and domestic applications such as disaster simulation (aerodynamic and hydrodynamic), Government agencies (hydrological and environmental simulations), and medical applications (e.g., in tomographic image reconstruction). Keywords - High-performance Computing, Graphic Processing Unit, Fluid/Particle Simulation. Summary for Members of Congress - Department of Energy has many simulation codes that must compute faster, to be effective. The Phase I research parallelized particle/fluid simulations for rocket combustion, for high-performance computing systems.« less

On the Stator Slot Geometry of a Cable Wound Generator for Hydrokinetic Energy Conversion

PubMed Central

Grabbe, Mårten; Leijon, Mats

2015-01-01

The stator slot geometry of a cable wound permanent magnet synchronous generator for hydrokinetic energy conversion is evaluated. Practical experience from winding two cable wound generators is used to propose optimized dimensions of different parts in the stator slot geometry. A thorough investigation is performed through simulations of how small geometrical changes alter the generator performance. The finite element method (FEM) is used to model the generator and the simulations show that small changes in the geometry can have large effect on the performance of the generator. Furthermore, it is concluded that the load angle is especially sensitive to small geometrical changes. A new generator design is proposed which shows improved efficiency, reduced weight, and a possibility to decrease the expensive permanent magnet material by almost one-fifth. PMID:25879072

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

PubMed

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

2010-09-01

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

Simulation of Trolleybus Traction Induction Drive With Supercapacitor Energy Storage System

NASA Astrophysics Data System (ADS)

Brazis, V.; Latkovskis, L.; Grigans, L.

2010-01-01

The article considers the possibilities of saving the regenerative braking energy in Škoda 24Tr type trolleybuses by installing the onboard supercapacitor energy storage system (ESS) and improving its performance with automated switching to the autonomous traction mode. Proposed is an ESS control system with constant DC bus voltage in the supercapacitor charging mode and supercapacitor current proportional to the AC drive current in the discharging mode. The authors investigate stability of the trolleybus ESS control system operating together with AC traction drive in various overhead voltage failure modes. The co-simulation of ESS operation was done by Matlab/Simulink AC drive and PSIM ESS continuous models.

Status of the EDDA experiment at COSY

NASA Astrophysics Data System (ADS)

Scobel, W.; EDDA Collaboration; Bisplinghoff, J.; Bollmann, R.; Cloth, P.; Dohrmann, F.; Dorner, G.; Drüke, V.; Ernst, J.; Eversheim, P. D.; Filges, D.; Gasthuber, M.; Gebel, R.; Groß, A.; Groß-Hardt, R.; Hinterberger, F.; Jahn, R.; Lahr, U.; Langkau, R.; Lippert, G.; Mayer-Kuckuk, T.; Maschuw, R.; Mertler, G.; Metsch, B.; Mosel, F.; Paetz gen Schieck, H.; Petry, H. R.; Prasuhn, D.; von Przewoski, B.; Rohdjeß, H.; Rosendaal, D.; von Rossen, P.; Scheid, H.; Schirm, N.; Schwandt, F.; Stein, H.; Theis, D.; Weber, J.; Wiedmann, W.; Woller, K.; Ziegler, R.

1993-07-01

The EDDA experiment is designed to study p + p excitation functions with high energy resolution and narrow step size in the kinetic energy range from 250 MeV to 2500 MeV at the Cooler Synchrotron COSY. Measurements during the accelertion phase in conjunction with internal targets will allow to achieve a fast and precise energy variation. Prototypes of the detector elements and the fiber target have been extensively tested with proton and electron beams; the detector performance and trigger efficiency have been studied in Monte Carlo simulations. In this contribution, results concerning detector design, prototype studies, Monte Carlo simulations and the anticipated detector resolutions will be reported.

Free energy landscapes of a highly structured β-hairpin peptide and its single mutant

NASA Astrophysics Data System (ADS)

Kim, Eunae; Yang, Changwon; Jang, Soonmin; Pak, Youngshang

2008-10-01

We investigated the free energy landscapes of a highly structured β-hairpin peptide (MBH12) and a less structured peptide with a single mutation of Tyr6 to Asp6 (MBH10). For the free energy mapping, starting from an extended conformation, the replica exchange molecular dynamic simulations for two β-hairpins were performed using a modified version of an all-atom force field employing an implicit solvation (param99MOD5/GBSA). With the present simulation approach, we demonstrated that detailed stability changes associated with the sequence modification from MBH12 to MBH10 are quantitatively well predicted at the all-atom level.

TU-FG-209-03: Exploring the Maximum Count Rate Capabilities of Photon Counting Arrays Based On Polycrystalline Silicon

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liang, A K; Koniczek, M; Antonuk, L E

Purpose: Photon counting arrays (PCAs) offer several advantages over conventional, fluence-integrating x-ray imagers, such as improved contrast by means of energy windowing. For that reason, we are exploring the feasibility and performance of PCA pixel circuitry based on polycrystalline silicon. This material, unlike the crystalline silicon commonly used in photon counting detectors, lends itself toward the economic manufacture of radiation tolerant, monolithic large area (e.g., ∼43×43 cm2) devices. In this presentation, exploration of maximum count rate, a critical performance parameter for such devices, is reported. Methods: Count rate performance for a variety of pixel circuit designs was explored through detailedmore » circuit simulations over a wide range of parameters (including pixel pitch and operating conditions) with the additional goal of preserving good energy resolution. The count rate simulations assume input events corresponding to a 72 kVp x-ray spectrum with 20 mm Al filtration interacting with a CZT detector at various input flux rates. Output count rates are determined at various photon energy threshold levels, and the percentage of counts lost (e.g., due to deadtime or pile-up) is calculated from the ratio of output to input counts. The energy resolution simulations involve thermal and flicker noise originating from each circuit element in a design. Results: Circuit designs compatible with pixel pitches ranging from 250 to 1000 µm that allow count rates over a megacount per second per pixel appear feasible. Such rates are expected to be suitable for radiographic and fluoroscopic imaging. Results for the analog front-end circuitry of the pixels show that acceptable energy resolution can also be achieved. Conclusion: PCAs created using polycrystalline silicon have the potential to offer monolithic large-area detectors with count rate performance comparable to those of crystalline silicon detectors. Further improvement through detailed circuit simulations and prototyping is expected. Partially supported by NIH grant R01-EB000558. This work was partially supported by NIH grant no. R01-EB000558.« less

Throughput and Energy Efficiency of a Cooperative Hybrid ARQ Protocol for Underwater Acoustic Sensor Networks

PubMed Central

Ghosh, Arindam; Lee, Jae-Won; Cho, Ho-Shin

2013-01-01

Due to its efficiency, reliability and better channel and resource utilization, cooperative transmission technologies have been attractive options in underwater as well as terrestrial sensor networks. Their performance can be further improved if merged with forward error correction (FEC) techniques. In this paper, we propose and analyze a retransmission protocol named Cooperative-Hybrid Automatic Repeat reQuest (C-HARQ) for underwater acoustic sensor networks, which exploits both the reliability of cooperative ARQ (CARQ) and the efficiency of incremental redundancy-hybrid ARQ (IR-HARQ) using rate-compatible punctured convolution (RCPC) codes. Extensive Monte Carlo simulations are performed to investigate the performance of the protocol, in terms of both throughput and energy efficiency. The results clearly reveal the enhancement in performance achieved by the C-HARQ protocol, which outperforms both CARQ and conventional stop and wait ARQ (S&W ARQ). Further, using computer simulations, optimum values of various network parameters are estimated so as to extract the best performance out of the C-HARQ protocol. PMID:24217359

Energy Harvesting for Micropower Applications by Flow-Induced Flutter of an Inverted Piezoelectric Flag

NASA Astrophysics Data System (ADS)

Shoele, Kourosh; Mittal, Rajat

2015-11-01

Piezoelectric flexible flags can be used to continuously generate energy for small-scale sensor used in a wide variety of applications ranging from measurement/monitoring of environmental conditions (outdoors or indoors) to in-situ tracking of wild animals. Here, we study the energy harvesting performance as well as the flow-structure interaction of an inverted piezoelectric flag. We use a coupled fluid-structure-electric solver to examine the dynamic response of the inverted flag as well as the associated vortical characteristics with different inertia and bending stiffness. Simulations indicate that large amplitude vibrations can be achieved over a large range of parameters over which lock-on between the flag flutter and the intrinsic wake shedding occurs. The effects of initial inclination of the flag to the prevailing flow as well as Reynolds number of the flow are explored, and the effect of piezoelectric material parameters on the energy harvesting performance of this flutter state is examined in detail. The maximum energy efficiency occurs when there is a match between the intrinsic timescales of flutter and the piezoelectric circuit. The simulations are used to formulate a scaling law that could be used to predict the energy harvesting performance of such devices. The support for this study comes from AFSOR, NSF, EPRI and Johns Hopkins E2SHI Seed Grant.

Binding free energy predictions of farnesoid X receptor (FXR) agonists using a linear interaction energy (LIE) approach with reliability estimation: application to the D3R Grand Challenge 2

NASA Astrophysics Data System (ADS)

Rifai, Eko Aditya; van Dijk, Marc; Vermeulen, Nico P. E.; Geerke, Daan P.

2018-01-01

Computational protein binding affinity prediction can play an important role in drug research but performing efficient and accurate binding free energy calculations is still challenging. In the context of phase 2 of the Drug Design Data Resource (D3R) Grand Challenge 2 we used our automated eTOX ALLIES approach to apply the (iterative) linear interaction energy (LIE) method and we evaluated its performance in predicting binding affinities for farnesoid X receptor (FXR) agonists. Efficiency was obtained by our pre-calibrated LIE models and molecular dynamics (MD) simulations at the nanosecond scale, while predictive accuracy was obtained for a small subset of compounds. Using our recently introduced reliability estimation metrics, we could classify predictions with higher confidence by featuring an applicability domain (AD) analysis in combination with protein-ligand interaction profiling. The outcomes of and agreement between our AD and interaction-profile analyses to distinguish and rationalize the performance of our predictions highlighted the relevance of sufficiently exploring protein-ligand interactions during training and it demonstrated the possibility to quantitatively and efficiently evaluate if this is achieved by using simulation data only.

Analysis of wallboard containing a phase change material

NASA Astrophysics Data System (ADS)

Tomlinson, J. J.; Heberle, D. P.

Phase change materials (PCMs) used on the interior of buildings hold the promise for improved thermal performance by reducing the energy requirements for space conditioning and by improving thermal comfort by reducing temperature swings inside the building. Efforts are underway to develop a gypsum wallboard containing a hydrocarbon PCM. With a phase change temperature in the room temperature range, the PCM wallboard adds substantially to the thermal mass of the building while serving the same architectural function as conventional wallboard. To determine the thermal and economic performance of this PCM wallboard, the Transient Systems Simulation Program (TRNSYS) was modified to accommodate walls that are covered with PCM plasterboard, and to apportion the direct beam solar radiation to interior surfaces of a building. The modified code was used to simulate the performance of conventional and direct-gain passive solar residential-sized buildings with and without PCM wallboard. Space heating energy savings were determined as a function of PCM wallboard characteristics. Thermal comfort improvements in buildings containing the PCM were qualified in terms of energy savings. The report concludes with a present worth economic analysis of these energy savings and arrives at system costs and economic payback based on current costs of PCMs under study for the wallboard application.

Performance Evaluation of PBL Schemes of ARW Model in Simulating Thermo-Dynamical Structure of Pre-Monsoon Convective Episodes over Kharagpur Using STORM Data Sets

NASA Astrophysics Data System (ADS)

Madala, Srikanth; Satyanarayana, A. N. V.; Srinivas, C. V.; Tyagi, Bhishma

2016-05-01

In the present study, advanced research WRF (ARW) model is employed to simulate convective thunderstorm episodes over Kharagpur (22°30'N, 87°20'E) region of Gangetic West Bengal, India. High-resolution simulations are conducted using 1 × 1 degree NCEP final analysis meteorological fields for initial and boundary conditions for events. The performance of two non-local [Yonsei University (YSU), Asymmetric Convective Model version 2 (ACM2)] and two local turbulence kinetic energy closures [Mellor-Yamada-Janjic (MYJ), Bougeault-Lacarrere (BouLac)] are evaluated in simulating planetary boundary layer (PBL) parameters and thermodynamic structure of the atmosphere. The model-simulated parameters are validated with available in situ meteorological observations obtained from micro-meteorological tower as well has high-resolution DigiCORA radiosonde ascents during STORM-2007 field experiment at the study location and Doppler Weather Radar (DWR) imageries. It has been found that the PBL structure simulated with the TKE closures MYJ and BouLac are in better agreement with observations than the non-local closures. The model simulations with these schemes also captured the reflectivity, surface pressure patterns such as wake-low, meso-high, pre-squall low and the convective updrafts and downdrafts reasonably well. Qualitative and quantitative comparisons reveal that the MYJ followed by BouLac schemes better simulated various features of the thunderstorm events over Kharagpur region. The better performance of MYJ followed by BouLac is evident in the lesser mean bias, mean absolute error, root mean square error and good correlation coefficient for various surface meteorological variables as well as thermo-dynamical structure of the atmosphere relative to other PBL schemes. The better performance of the TKE closures may be attributed to their higher mixing efficiency, larger convective energy and better simulation of humidity promoting moist convection relative to non-local schemes.

SU-F-T-193: Evaluation of a GPU-Based Fast Monte Carlo Code for Proton Therapy Biological Optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taleei, R; Qin, N; Jiang, S

2016-06-15

Purpose: Biological treatment plan optimization is of great interest for proton therapy. It requires extensive Monte Carlo (MC) simulations to compute physical dose and biological quantities. Recently, a gPMC package was developed for rapid MC dose calculations on a GPU platform. This work investigated its suitability for proton therapy biological optimization in terms of accuracy and efficiency. Methods: We performed simulations of a proton pencil beam with energies of 75, 150 and 225 MeV in a homogeneous water phantom using gPMC and FLUKA. Physical dose and energy spectra for each ion type on the central beam axis were scored. Relativemore » Biological Effectiveness (RBE) was calculated using repair-misrepair-fixation model. Microdosimetry calculations were performed using Monte Carlo Damage Simulation (MCDS). Results: Ranges computed by the two codes agreed within 1 mm. Physical dose difference was less than 2.5 % at the Bragg peak. RBE-weighted dose agreed within 5 % at the Bragg peak. Differences in microdosimetric quantities such as dose average lineal energy transfer and specific energy were < 10%. The simulation time per source particle with FLUKA was 0.0018 sec, while gPMC was ∼ 600 times faster. Conclusion: Physical dose computed by FLUKA and gPMC were in a good agreement. The RBE differences along the central axis were small, and RBE-weighted dose difference was found to be acceptable. The combined accuracy and efficiency makes gPMC suitable for proton therapy biological optimization.« less

Enhanced Conformational Sampling of N-Glycans in Solution with Replica State Exchange Metadynamics.

PubMed

Galvelis, Raimondas; Re, Suyong; Sugita, Yuji

2017-05-09

Molecular dynamics (MD) simulation of a N-glycan in solution is challenging because of high-energy barriers of the glycosidic linkages, functional group rotational barriers, and numerous intra- and intermolecular hydrogen bonds. In this study, we apply different enhanced conformational sampling approaches, namely, metadynamics (MTD), the replica-exchange MD (REMD), and the recently proposed replica state exchange MTD (RSE-MTD), to a N-glycan in solution and compare the conformational sampling efficiencies of the approaches. MTD helps to cross the high-energy barrier along the ω angle by utilizing a bias potential, but it cannot enhance sampling of the other degrees of freedom. REMD ensures moderate-energy barrier crossings by exchanging temperatures between replicas, while it hardly crosses the barriers along ω. In contrast, RSE-MTD succeeds to cross the high-energy barrier along ω as well as to enhance sampling of the other degrees of freedom. We tested two RSE-MTD schemes: in one scheme, 64 replicas were simulated with the bias potential along ω at different temperatures, while simulations of four replicas were performed with the bias potentials for different CVs at 300 K. In both schemes, one unbiased replica at 300 K was included to compute conformational properties of the glycan. The conformational sampling of the former is better than the other enhanced sampling methods, while the latter shows reasonable performance without spending large computational resources. The latter scheme is likely to be useful when a N-glycan-attached protein is simulated.

On Reliable and Efficient Data Gathering Based Routing in Underwater Wireless Sensor Networks.

PubMed

Liaqat, Tayyaba; Akbar, Mariam; Javaid, Nadeem; Qasim, Umar; Khan, Zahoor Ali; Javaid, Qaisar; Alghamdi, Turki Ali; Niaz, Iftikhar Azim

2016-08-30

This paper presents cooperative routing scheme to improve data reliability. The proposed protocol achieves its objective, however, at the cost of surplus energy consumption. Thus sink mobility is introduced to minimize the energy consumption cost of nodes as it directly collects data from the network nodes at minimized communication distance. We also present delay and energy optimized versions of our proposed RE-AEDG to further enhance its performance. Simulation results prove the effectiveness of our proposed RE-AEDG in terms of the selected performance matrics.

Distributed dynamic simulations of networked control and building performance applications.

PubMed

Yahiaoui, Azzedine

2018-02-01

The use of computer-based automation and control systems for smart sustainable buildings, often so-called Automated Buildings (ABs), has become an effective way to automatically control, optimize, and supervise a wide range of building performance applications over a network while achieving the minimum energy consumption possible, and in doing so generally refers to Building Automation and Control Systems (BACS) architecture. Instead of costly and time-consuming experiments, this paper focuses on using distributed dynamic simulations to analyze the real-time performance of network-based building control systems in ABs and improve the functions of the BACS technology. The paper also presents the development and design of a distributed dynamic simulation environment with the capability of representing the BACS architecture in simulation by run-time coupling two or more different software tools over a network. The application and capability of this new dynamic simulation environment are demonstrated by an experimental design in this paper.

Distributed dynamic simulations of networked control and building performance applications

PubMed Central

Yahiaoui, Azzedine

2017-01-01

The use of computer-based automation and control systems for smart sustainable buildings, often so-called Automated Buildings (ABs), has become an effective way to automatically control, optimize, and supervise a wide range of building performance applications over a network while achieving the minimum energy consumption possible, and in doing so generally refers to Building Automation and Control Systems (BACS) architecture. Instead of costly and time-consuming experiments, this paper focuses on using distributed dynamic simulations to analyze the real-time performance of network-based building control systems in ABs and improve the functions of the BACS technology. The paper also presents the development and design of a distributed dynamic simulation environment with the capability of representing the BACS architecture in simulation by run-time coupling two or more different software tools over a network. The application and capability of this new dynamic simulation environment are demonstrated by an experimental design in this paper. PMID:29568135

Cathode Research and the Threshold Cathode Test Facility

DTIC Science & Technology

2002-09-01

SYSTEM (LEFT) AND PULSED POWER TANK (RIGHT ) AS ASSEMBLED AT THE AIR FORCE RESEARCH LABORATORY , DIRECTED ENERGY DIRECTORATE AT KIRTLAND AFB, NM...Final Report APPROVED FOR PUBLIC RELEASE; DISTRIBUTION IS UNLIMITED. AIR FORCE RESEARCH LABORATORY Directed Energy Directorate 3550 Aberdeen Ave SE... Research Laboratory ( AFRL ), Directed Energy Directorate at Kirtland AFB, NM. In addition, simulations were performed that shed new light on the

Eddy Current Damper for Cryogenic Applications

NASA Astrophysics Data System (ADS)

Starin, Scott; Crosno, Fred

2002-09-01

This presentation considers the following topics: the need for cryogenic energy absorption, high speed damper characteristics, gearbox characteristics, composite assembly characteristics, performance tests, simulation models.

Angular selective window systems: Assessment of technical potential for energy savings

DOE PAGES

Fernandes, Luis L.; Lee, Eleanor S.; McNeil, Andrew; ...

2014-10-16

Static angular selective shading systems block direct sunlight and admit daylight within a specific range of incident solar angles. The objective of this study is to quantify their potential to reduce energy use and peak demand in commercial buildings using state-of-the art whole-building computer simulation software that allows accurate modeling of the behavior of optically-complex fenestration systems such as angular selective systems. Three commercial systems were evaluated: a micro-perforated screen, a tubular shading structure, and an expanded metal mesh. This evaluation was performed through computer simulation for multiple climates (Chicago, Illinois and Houston, Texas), window-to-wall ratios (0.15-0.60), building codes (ASHRAEmore » 90.1-2004 and 2010) and lighting control configurations (with and without). The modeling of the optical complexity of the systems took advantage of the development of state-of-the-art versions of the EnergyPlus, Radiance and Window simulation tools. Results show significant reductions in perimeter zone energy use; the best system reached 28% and 47% savings, respectively without and with daylighting controls (ASHRAE 90.1-2004, south facade, Chicago,WWR=0.45). As a result, angular selectivity and thermal conductance of the angle-selective layer, as well as spectral selectivity of low-emissivity coatings, were identified as factors with significant impact on performance.« less

Dynamics of Energy Transfer and Soft-Landing in Collisions of Protonated Dialanine with Perfluorinated Self-Assembled Monolayer Surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratihar, Subha; Kohale, Swapnil C.; Bhakta, Dhruv G.

2014-11-21

Chemical dynamics simulations are reported which provide atomistic details of collisions of protonated dialanine, ala2-H+, with a perfluorinateted octanethiolate self-assembled monolayer (F-SAM ) surface. The simulations are performed at collisions energy Ei of 5.0, 13.5, 22.5, 30.00, and 70 eV, and incident angles 0o 0 (normal) and grazing 45o. Excellent agreement with experiment (J. Am. Chem. Soc. 2000, 122, 9703-9714) is found for both the average fraction and distribution of the collision energy transferred to the ala2-H+ internal degrees of freedom. The dominant pathway for this energy transfer is to ala2-H+ vibration, but for Ei = 5.0 eV ~20% ofmore » the energy transfer is to ala2-H+ rotation. Energy transfer to ala2-H+ rotation decreases with increase in Ei and becomes negligible at high Ei. Three types of collisions are observed in the simulations: i.e. those for which ala2-H+ (1) directly scatters off the F-SAM surface; (2) sticks/physisorbs on//in the surface, but desorbs within the 10 ps numerical integration of the simulations; and (3) remains trapped (i.e. soft-landed) on/in the surface when the simulations are terminated. Penetration of the F-SAM by ala2-H+ is important for the latter two types of events. The trapped trajectories are expected to have relatively long residence times on the surface, since a previous molecular dynamics simulation (J. Phys. Chem. B 2014, 118, 5577-5588) shows that thermally accommodated ala2-H+ ions have an binding energy with the F-SAM surface of at least ~15 kcal/mol.« less

Outage Performance Analysis of Relay Selection Schemes in Wireless Energy Harvesting Cooperative Networks over Non-Identical Rayleigh Fading Channels †

PubMed Central

Do, Nhu Tri; Bao, Vo Nguyen Quoc; An, Beongku

2016-01-01

In this paper, we study relay selection in decode-and-forward wireless energy harvesting cooperative networks. In contrast to conventional cooperative networks, the relays harvest energy from the source’s radio-frequency radiation and then use that energy to forward the source information. Considering power splitting receiver architecture used at relays to harvest energy, we are concerned with the performance of two popular relay selection schemes, namely, partial relay selection (PRS) scheme and optimal relay selection (ORS) scheme. In particular, we analyze the system performance in terms of outage probability (OP) over independent and non-identical (i.n.i.d.) Rayleigh fading channels. We derive the closed-form approximations for the system outage probabilities of both schemes and validate the analysis by the Monte-Carlo simulation. The numerical results provide comprehensive performance comparison between the PRS and ORS schemes and reveal the effect of wireless energy harvesting on the outage performances of both schemes. Additionally, we also show the advantages and drawbacks of the wireless energy harvesting cooperative networks and compare to the conventional cooperative networks. PMID:26927119

Outage Performance Analysis of Relay Selection Schemes in Wireless Energy Harvesting Cooperative Networks over Non-Identical Rayleigh Fading Channels.

PubMed

Do, Nhu Tri; Bao, Vo Nguyen Quoc; An, Beongku

2016-02-26

In this paper, we study relay selection in decode-and-forward wireless energy harvesting cooperative networks. In contrast to conventional cooperative networks, the relays harvest energy from the source's radio-frequency radiation and then use that energy to forward the source information. Considering power splitting receiver architecture used at relays to harvest energy, we are concerned with the performance of two popular relay selection schemes, namely, partial relay selection (PRS) scheme and optimal relay selection (ORS) scheme. In particular, we analyze the system performance in terms of outage probability (OP) over independent and non-identical (i.n.i.d.) Rayleigh fading channels. We derive the closed-form approximations for the system outage probabilities of both schemes and validate the analysis by the Monte-Carlo simulation. The numerical results provide comprehensive performance comparison between the PRS and ORS schemes and reveal the effect of wireless energy harvesting on the outage performances of both schemes. Additionally, we also show the advantages and drawbacks of the wireless energy harvesting cooperative networks and compare to the conventional cooperative networks.

Commercial Building Energy Saver, Web App

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hong, Tianzhen; Piette, Mary; Lee, Sang Hoon

The CBES App is a web-based toolkit for use by small businesses and building owners and operators of small and medium size commercial buildings to perform energy benchmarking and retrofit analysis for buildings. The CBES App analyzes the energy performance of user's building for pre-and posto-retrofit, in conjunction with user's input data, to identify recommended retrofit measures, energy savings and economic analysis for the selected measures. The CBES App provides energy benchmarking, including getting an EnergyStar score using EnergyStar API and benchmarking against California peer buildings using the EnergyIQ API. The retrofit analysis includes a preliminary analysis by looking upmore » retrofit measures from a pre-simulated database DEEP, and a detailed analysis creating and running EnergyPlus models to calculate energy savings of retrofit measures. The CBES App builds upon the LBNL CBES API.« less

Multi-energy x-ray detectors to improve air-cargo security

NASA Astrophysics Data System (ADS)

Paulus, Caroline; Moulin, Vincent; Perion, Didier; Radisson, Patrick; Verger, Loïck

2017-05-01

X-ray based systems have been used for decades to screen luggage or cargo to detect illicit material. The advent of energy-sensitive photon-counting x-ray detectors mainly based on Cd(Zn)Te semi-conductor technology enables to improve discrimination between materials compared to single or dual energy technology. The presented work is part of the EUROSKY European project to develop a Single European Secure Air-Cargo Space. "Cargo" context implies the presence of relatively heavy objects and with potentially high atomic number. All the study is conducted on simulations with three different detectors: a typical dual energy sandwich detector, a realistic model of the commercial ME100 multi-energy detector marketed by MULTIX, and a ME100 "Cargo": a not yet existing modified multi-energy version of the ME100 more suited to air freight cargo inspection. Firstly, a comparison on simulated measurements shows the performances improvement of the new multi-energy detectors compared to the current dual-energy one. The relative performances are evaluated according to different criteria of separability or contrast-to-noise ratio and the impact of different parameters is studied (influence of channel number, type of materials and tube voltage). Secondly, performances of multi-energy detectors for overlaps processing in a dual-view system is accessed: the case of orthogonal projections has been studied, one giving dimensional values, the other one providing spectral data to assess effective atomic number. A method of overlap correction has been proposed and extended to multi-layer objects case. Therefore, Calibration and processing based on bi-material decomposition have been adapted for this purpose.

The Marriage of Residential Energy Codes and Rating Systems: Conflict Resolution or Just Conflict?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor, Zachary T.; Mendon, Vrushali V.

2014-08-21

After three decades of coexistence at a distance, model residential energy codes and residential energy rating systems have come together in the 2015 International Energy Conservation Code. At the October, 2013, International Code Council’s Public Comment Hearing, a new compliance path based on an Energy Rating Index was added to the IECC. Although not specifically named in the code, RESNET’s HERS rating system is the likely candidate Index for most jurisdictions. While HERS has been a mainstay in various beyond-code programs for many years, its direct incorporation into the most popular model energy code raises questions about the equivalence ofmore » a HERS-based compliance path and the traditional IECC performance compliance path, especially because the two approaches use different efficiency metrics, are governed by different simulation rules, and have different scopes with regard to energy impacting house features. A detailed simulation analysis of more than 15,000 house configurations reveals a very large range of HERS Index values that achieve equivalence with the IECC’s performance path. This paper summarizes the results of that analysis and evaluates those results against the specific Energy Rating Index values required by the 2015 IECC. Based on the home characteristics most likely to result in disparities between HERS-based compliance and performance path compliance, potential impacts on the compliance process, state and local adoption of the new code, energy efficiency in the next generation of homes subject to this new code, and future evolution of model code formats are discussed.« less

Comparing performances of a CdTe X-ray spectroscopic detector and an X-ray dual-energy sandwich detector

NASA Astrophysics Data System (ADS)

Gorecki, A.; Brambilla, A.; Moulin, V.; Gaborieau, E.; Radisson, P.; Verger, L.

2013-11-01

Multi-energy (ME) detectors are becoming a serious alternative to classical dual-energy sandwich (DE-S) detectors for X-ray applications such as medical imaging or explosive detection. They can use the full X-ray spectrum of irradiated materials, rather than disposing only of low and high energy measurements, which may be mixed. In this article, we intend to compare both simulated and real industrial detection systems, operating at a high count rate, independently of the dimensions of the measurements and independently of any signal processing methods. Simulations or prototypes of similar detectors have already been compared (see [1] for instance), but never independently of estimation methods and never with real detectors. We have simulated both an ME detector made of CdTe - based on the characteristics of the MultiX ME100 and - a DE-S detector - based on the characteristics of the Detection Technology's X-Card 1.5-64DE model. These detectors were compared to a perfect spectroscopic detector and an optimal DE-S detector. For comparison purposes, two approaches were investigated. The first approach addresses how to distinguise signals, while the second relates to identifying materials. Performance criteria were defined and comparisons were made over a range of material thicknesses and with different photon statistics. Experimental measurements in a specific configuration were acquired to checks simulations. Results showed good agreement between the ME simulation and the ME100 detector. Both criteria seem to be equivalent, and the ME detector performs 3.5 times better than the DE-S detector with same photon statistics based on simulations and experimental measurements. Regardless of the photon statistics ME detectors appeared more efficient than DE-S detectors for all material thicknesses between 1 and 9 cm when measuring plastics with an attenuation signature close that of explosive materials. This translates into an improved false detection rate (FDR): DE-S detectors have an FDR 2.87±0.03-fold higher than ME detectors for 4 cm of POM with 20 000 incident photons, when identifications are screened against a two-material base.

Hybrid annealing: Coupling a quantum simulator to a classical computer

NASA Astrophysics Data System (ADS)

Graß, Tobias; Lewenstein, Maciej

2017-05-01

Finding the global minimum in a rugged potential landscape is a computationally hard task, often equivalent to relevant optimization problems. Annealing strategies, either classical or quantum, explore the configuration space by evolving the system under the influence of thermal or quantum fluctuations. The thermal annealing dynamics can rapidly freeze the system into a low-energy configuration, and it can be simulated well on a classical computer, but it easily gets stuck in local minima. Quantum annealing, on the other hand, can be guaranteed to find the true ground state and can be implemented in modern quantum simulators; however, quantum adiabatic schemes become prohibitively slow in the presence of quasidegeneracies. Here, we propose a strategy which combines ideas from simulated annealing and quantum annealing. In such a hybrid algorithm, the outcome of a quantum simulator is processed on a classical device. While the quantum simulator explores the configuration space by repeatedly applying quantum fluctuations and performing projective measurements, the classical computer evaluates each configuration and enforces a lowering of the energy. We have simulated this algorithm for small instances of the random energy model, showing that it potentially outperforms both simulated thermal annealing and adiabatic quantum annealing. It becomes most efficient for problems involving many quasidegenerate ground states.

Quantum Fragment Based ab Initio Molecular Dynamics for Proteins.

PubMed

Liu, Jinfeng; Zhu, Tong; Wang, Xianwei; He, Xiao; Zhang, John Z H

2015-12-08

Developing ab initio molecular dynamics (AIMD) methods for practical application in protein dynamics is of significant interest. Due to the large size of biomolecules, applying standard quantum chemical methods to compute energies for dynamic simulation is computationally prohibitive. In this work, a fragment based ab initio molecular dynamics approach is presented for practical application in protein dynamics study. In this approach, the energy and forces of the protein are calculated by a recently developed electrostatically embedded generalized molecular fractionation with conjugate caps (EE-GMFCC) method. For simulation in explicit solvent, mechanical embedding is introduced to treat protein interaction with explicit water molecules. This AIMD approach has been applied to MD simulations of a small benchmark protein Trpcage (with 20 residues and 304 atoms) in both the gas phase and in solution. Comparison to the simulation result using the AMBER force field shows that the AIMD gives a more stable protein structure in the simulation, indicating that quantum chemical energy is more reliable. Importantly, the present fragment-based AIMD simulation captures quantum effects including electrostatic polarization and charge transfer that are missing in standard classical MD simulations. The current approach is linear-scaling, trivially parallel, and applicable to performing the AIMD simulation of proteins with a large size.

Laser fractional photothermolysis of the skin: numerical simulation of microthermal zones.

PubMed

Marqa, Mohamad Feras; Mordon, Serge

2014-04-01

Laser Fractional Photothermolysis (FP) is one of the innovative techniques for skin remodeling and resurfacing. During treatment, the control of the Microscopic Thermal Zones' (MTZs) dimensions versus pulse energy requires detailed knowledge of the various parameters governing the heat transfer process. In this study, a mathematical model is devised to simulate the effect of pulse energy variations on the dimensions of MTZs. Two series of simulations for ablative (10.6 μm CO2) and non-ablative (1.550 μm Er:Glass) lasers systems were performed. In each series, simulations were carried for the following pulses energies: 5, 10, 15, 20, 25, 30, 35, and 40 mJ. Results of simulations are validated by histological analysis images of MTZs sections reported in works by Hantash et al. and Bedi et al. MTZs dimensions were compared between histology and those achieved using our simulation model using fusion data technique for both ablative FP and non-ablative FP treatment methods. Depths and widths from simulations are usually deeper (21 ± 2%) and wider (12 ± 2%) when compared with histological analysis data. When accounting for the shrinkage effect of excision of cutaneous tissues, a good correlation can be established between the simulation and the histological analysis results.

Accelerated molecular dynamics and protein conformational change: a theoretical and practical guide using a membrane embedded model neurotransmitter transporter.

PubMed

Gedeon, Patrick C; Thomas, James R; Madura, Jeffry D

2015-01-01

Molecular dynamics simulation provides a powerful and accurate method to model protein conformational change, yet timescale limitations often prevent direct assessment of the kinetic properties of interest. A large number of molecular dynamic steps are necessary for rare events to occur, which allow a system to overcome energy barriers and conformationally transition from one potential energy minimum to another. For many proteins, the energy landscape is further complicated by a multitude of potential energy wells, each separated by high free-energy barriers and each potentially representative of a functionally important protein conformation. To overcome these obstacles, accelerated molecular dynamics utilizes a robust bias potential function to simulate the transition between different potential energy minima. This straightforward approach more efficiently samples conformational space in comparison to classical molecular dynamics simulation, does not require advanced knowledge of the potential energy landscape and converges to the proper canonical distribution. Here, we review the theory behind accelerated molecular dynamics and discuss the approach in the context of modeling protein conformational change. As a practical example, we provide a detailed, step-by-step explanation of how to perform an accelerated molecular dynamics simulation using a model neurotransmitter transporter embedded in a lipid cell membrane. Changes in protein conformation of relevance to the substrate transport cycle are then examined using principle component analysis.

On the road performance tests of electric test vehicle for correlation with road load simulator

NASA Technical Reports Server (NTRS)

Dustin, M. O.; Slavik, R. J.

1982-01-01

A dynamometer (road load simulator) is used to test and evaluate electric vehicle propulsion systems. To improve correlation between system tests on the road load simulator and on the road, similar performance tests are conducted using the same vehicle. The results of track tests on the electric propulsion system test vehicle are described. The tests include range at constant speeds and over SAE J227a driving cycles, maximum accelerations, maximum gradability, and tire rolling resistance determination. Road power requirements and energy consumption were also determined from coast down tests.

The effects of self-interstitial clusters on cascade defect evolution beyond the primary damage state

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heinisch, H.L.

1997-04-01

The intracascade evolution of the defect distributions of cascades in copper is investigated using stochastic annealing simulations applied to cascades generated with molecular dynamics (MD). The temperature and energy dependencies of annihilation, clustering and free defect production are determined for individual cascades. The annealing simulation results illustrate the strong influence on intracascade evolution of the defect configuration existing in the primary damage state. Another factor significantly affecting the evolution of the defect distribution is the rapid one-dimensional diffusion of small, glissile interstitial loops produced directly in cascades. This phenomenon introduces a cascade energy dependence of defect evolution that is apparentmore » only beyond the primary damage state, amplifying the need for further study of the annealing phase of cascade evolution and for performing many more MD cascade simulations at higher energies.« less

Dynamic energy budget model: a monitoring tool for growth and reproduction performance of Mytilus galloprovincialis in Bizerte Lagoon (Southwestern Mediterranean Sea).

PubMed

Béjaoui-Omri, Amel; Béjaoui, Béchir; Harzallah, Ali; Aloui-Béjaoui, Nejla; El Bour, Monia; Aleya, Lotfi

2014-11-01

Mussel farming is the main economic activity in Bizerte Lagoon, with a production that fluctuates depending on environmental factors. In the present study, we apply a bioenergetic growth model to the mussel Mytilus galloprovincialis, based on dynamic energy budget (DEB) theory which describes energy flux variation through the different compartments of the mussel body. Thus, the present model simulates both mussel growth and sexual cycle steps according to food availability and water temperature and also the effect of climate change on mussel behavior and reproduction. The results point to good concordance between simulations and growth parameters (metric length and weight) for mussels in the lagoon. A heat wave scenario was also simulated using the DEB model, which highlighted mussel mortality periods during a period of high temperature.

Computational study of a calcium release-activated calcium channel

NASA Astrophysics Data System (ADS)

Talukdar, Keka; Shantappa, Anil

2016-05-01

The naturally occurring proteins that form hole in membrane are commonly known as ion channels. They play multiple roles in many important biological processes. Deletion or alteration of these channels often leads to serious problems in the physiological processes as it controls the flow of ions through it. The proper maintenance of the flow of ions, in turn, is required for normal health. Here we have investigated the behavior of a calcium release-activated calcium ion channel with pdb entry 4HKR in Drosophila Melanogaster. The equilibrium energy as well as molecular dynamics simulation is performed first. The protein is subjected to molecular dynamics simulation to find their energy minimized value. Simulation of the protein in the environment of water and ions has given us important results too. The solvation energy is also found using Charmm potential.

Calculation of the Local Free Energy Landscape in the Restricted Region by the Modified Tomographic Method.

PubMed

Chen, Changjun

2016-03-31

The free energy landscape is the most important information in the study of the reaction mechanisms of the molecules. However, it is difficult to calculate. In a large collective variable space, a molecule must take a long time to obtain the sufficient sampling during the simulation. To save the calculation quantity, decreasing the sampling region and constructing the local free energy landscape is required in practice. However, the restricted region in the collective variable space may have an irregular shape. Simply restricting one or more collective variables of the molecule cannot satisfy the requirement. In this paper, we propose a modified tomographic method to perform the simulation. First, it divides the restricted region by some hyperplanes and connects the centers of hyperplanes together by a curve. Second, it forces the molecule to sample on the curve and the hyperplanes in the simulation and calculates the free energy data on them. Finally, all the free energy data are combined together to form the local free energy landscape. Without consideration of the area outside the restricted region, this free energy calculation can be more efficient. By this method, one can further optimize the path quickly in the collective variable space.

Design of a high temperature subsurface thermal energy storage system

NASA Astrophysics Data System (ADS)

Zheng, Qi

Solar thermal energy is taking up increasing proportions of future power generation worldwide. Thermal energy storage technology is a key method for compensating for the inherent intermittency of solar resources and solving the time mismatch between solar energy supply and electricity demand. However, there is currently no cost-effective high-capacity compact storage technology available (Bakker et al., 2008). The goal of this work is to propose a high temperature subsurface thermal energy storage (HSTES) technology and demonstrate its potential energy storage capability by developing a solar-HSTES-electricity generation system. In this work, main elements of the proposed system and their related state-of-art technologies are reviewed. A conceptual model is built to illustrate the concept, design, operating procedure and application of such a system. A numerical base model is built within the TOUGH2-EOS1 multiphase flow simulator for the evaluation of system performance. Additional models are constructed and simulations are done to identify the effect of different operational and geological influential factors on the system performance. Our work shows that when the base model is run with ten years operation of alternate injection and production processes - each for a month - with a thermal power input of 10.85 MW, about 83% of the injected thermal energy could be recovered within each working cycle from a stabilized HSTES system. After the final conversion into electrical energy, a relative (compared with the direct use of hot water) electricity generation efficiency of 73% is obtained. In a typical daily storage scenario, the simulated thermal storage efficiency could exceed 78% and the relative electricity generation efficiency is over 66% in the long run. In a seasonal storage scenario, these two efficiencies reach 69% and 53% respectively by the end of the simulation period of 10 years. Additional simulations reveal a thinner storage aquifer with a higher horizontal-to-vertical permeability ratio is favored by the storage system. A basin-shape reservoir is more favored than a flat reservoir, while a flat reservoir is better than a dome-shape reservoir. The effect of aquifer stratification is variable: it depends on the relative position of the well screen and the impermeable lenses within the reservoir. From the operational aspect, the well screen position is crucial and properly shortening the screen length can help heat recovery. The proportion of the injection/storage/recovery processes within a cycle, rather than their exact lengths, affects the storage efficiency. Reservoir preheating helps improve the energy storage efficiency for the first several cycles. However, it does not contribute much to the system performance in the long run. Simulations also indicate that buoyancy effect is of significant importance in heat distribution and the plume migration. Reducing the gravity override effect of the heat plume could be an important consideration in efficiency optimization.

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 analysis of global searching molecular dynamics simulations. In addition, because clustering of lowest energy models arising from homologous sequences only happens when the estimation of the helix tilt is correct, it may provide a validation for the helix tilt estimate. PMID:12023229

Performance Comparison of the Digital Neuromorphic Hardware SpiNNaker and the Neural Network Simulation Software NEST for a Full-Scale Cortical Microcircuit Model

PubMed Central

van Albada, Sacha J.; Rowley, Andrew G.; Senk, Johanna; Hopkins, Michael; Schmidt, Maximilian; Stokes, Alan B.; Lester, David R.; Diesmann, Markus; Furber, Steve B.

2018-01-01

The digital neuromorphic hardware SpiNNaker has been developed with the aim of enabling large-scale neural network simulations in real time and with low power consumption. Real-time performance is achieved with 1 ms integration time steps, and thus applies to neural networks for which faster time scales of the dynamics can be neglected. By slowing down the simulation, shorter integration time steps and hence faster time scales, which are often biologically relevant, can be incorporated. We here describe the first full-scale simulations of a cortical microcircuit with biological time scales on SpiNNaker. Since about half the synapses onto the neurons arise within the microcircuit, larger cortical circuits have only moderately more synapses per neuron. Therefore, the full-scale microcircuit paves the way for simulating cortical circuits of arbitrary size. With approximately 80, 000 neurons and 0.3 billion synapses, this model is the largest simulated on SpiNNaker to date. The scale-up is enabled by recent developments in the SpiNNaker software stack that allow simulations to be spread across multiple boards. Comparison with simulations using the NEST software on a high-performance cluster shows that both simulators can reach a similar accuracy, despite the fixed-point arithmetic of SpiNNaker, demonstrating the usability of SpiNNaker for computational neuroscience applications with biological time scales and large network size. The runtime and power consumption are also assessed for both simulators on the example of the cortical microcircuit model. To obtain an accuracy similar to that of NEST with 0.1 ms time steps, SpiNNaker requires a slowdown factor of around 20 compared to real time. The runtime for NEST saturates around 3 times real time using hybrid parallelization with MPI and multi-threading. However, achieving this runtime comes at the cost of increased power and energy consumption. The lowest total energy consumption for NEST is reached at around 144 parallel threads and 4.6 times slowdown. At this setting, NEST and SpiNNaker have a comparable energy consumption per synaptic event. Our results widen the application domain of SpiNNaker and help guide its development, showing that further optimizations such as synapse-centric network representation are necessary to enable real-time simulation of large biological neural networks. PMID:29875620

Insulator Surface Charge as a Function of Pressure: Theory and Simulation

NASA Technical Reports Server (NTRS)

Hogue, Michael D.; Calle, Carlos I.; Mucciolo, Eduardo; Hintze, Paul

2005-01-01

A two-phase equilibrium model was developed to explain the discontinuous surface charge decay versus atmospheric pressure of insulators that had been charged triboelectrically. The two-phase model is an electrostatic form of the Langmuir Isotherm for ions adsorbed on a surface in equilibrium with ions in the gas phase. In this paper, the model was extended to account for vibrational states of the adsorbed surface ions via the vibrational partition function. An analysis is performed that rules out Paschen discharge as the cause of the discharge observed. Also, a numerical simulation is performed using NWChem to calculate the adsorption energies of ions on insulator surfaces for comparison to curve fit adsorption energies developed from the model and experimental data.

GEANT4 simulations of a novel 3He-free thermalization neutron detector

NASA Astrophysics Data System (ADS)

Mazzone, A.; Finocchiaro, P.; Lo Meo, S.; Colonna, N.

2018-05-01

A novel concept for 3He-free thermalization detector is here investigated by means of GEANT4 simulations. The detector is based on strips of solid-state detectors with 6Li deposit for neutron conversion. Various geometrical configurations have been investigated in order to find the optimal solution, in terms of value and energy dependence of the efficiency for neutron energies up to 10 MeV. The expected performance of the new detector are compared with those of an optimized thermalization detector based on standard 3He tubes. Although an 3He-based detector is superior in terms of performance and simplicity, the proposed solution may become more appealing in terms of costs in case of shortage of 3He supply.

Intercomparison of Monte Carlo radiation transport codes to model TEPC response in low-energy neutron and gamma-ray fields.

PubMed

Ali, F; Waker, A J; Waller, E J

2014-10-01

Tissue-equivalent proportional counters (TEPC) can potentially be used as a portable and personal dosemeter in mixed neutron and gamma-ray fields, but what hinders this use is their typically large physical size. To formulate compact TEPC designs, the use of a Monte Carlo transport code is necessary to predict the performance of compact designs in these fields. To perform this modelling, three candidate codes were assessed: MCNPX 2.7.E, FLUKA 2011.2 and PHITS 2.24. In each code, benchmark simulations were performed involving the irradiation of a 5-in. TEPC with monoenergetic neutron fields and a 4-in. wall-less TEPC with monoenergetic gamma-ray fields. The frequency and dose mean lineal energies and dose distributions calculated from each code were compared with experimentally determined data. For the neutron benchmark simulations, PHITS produces data closest to the experimental values and for the gamma-ray benchmark simulations, FLUKA yields data closest to the experimentally determined quantities. © The Author 2013. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Comparison of RF spectrum prediction methods for dynamic spectrum access

NASA Astrophysics Data System (ADS)

Kovarskiy, Jacob A.; Martone, Anthony F.; Gallagher, Kyle A.; Sherbondy, Kelly D.; Narayanan, Ram M.

2017-05-01

Dynamic spectrum access (DSA) refers to the adaptive utilization of today's busy electromagnetic spectrum. Cognitive radio/radar technologies require DSA to intelligently transmit and receive information in changing environments. Predicting radio frequency (RF) activity reduces sensing time and energy consumption for identifying usable spectrum. Typical spectrum prediction methods involve modeling spectral statistics with Hidden Markov Models (HMM) or various neural network structures. HMMs describe the time-varying state probabilities of Markov processes as a dynamic Bayesian network. Neural Networks model biological brain neuron connections to perform a wide range of complex and often non-linear computations. This work compares HMM, Multilayer Perceptron (MLP), and Recurrent Neural Network (RNN) algorithms and their ability to perform RF channel state prediction. Monte Carlo simulations on both measured and simulated spectrum data evaluate the performance of these algorithms. Generalizing spectrum occupancy as an alternating renewal process allows Poisson random variables to generate simulated data while energy detection determines the occupancy state of measured RF spectrum data for testing. The results suggest that neural networks achieve better prediction accuracy and prove more adaptable to changing spectral statistics than HMMs given sufficient training data.

Toolbox for Urban Mobility Simulation: High Resolution Population Dynamics for Global Cities

NASA Astrophysics Data System (ADS)

Bhaduri, B. L.; Lu, W.; Liu, C.; Thakur, G.; Karthik, R.

2015-12-01

In this rapidly urbanizing world, unprecedented rate of population growth is not only mirrored by increasing demand for energy, food, water, and other natural resources, but has detrimental impacts on environmental and human security. Transportation simulations are frequently used for mobility assessment in urban planning, traffic operation, and emergency management. Previous research, involving purely analytical techniques to simulations capturing behavior, has investigated questions and scenarios regarding the relationships among energy, emissions, air quality, and transportation. Primary limitations of past attempts have been availability of input data, useful "energy and behavior focused" models, validation data, and adequate computational capability that allows adequate understanding of the interdependencies of our transportation system. With increasing availability and quality of traditional and crowdsourced data, we have utilized the OpenStreetMap roads network, and has integrated high resolution population data with traffic simulation to create a Toolbox for Urban Mobility Simulations (TUMS) at global scale. TUMS consists of three major components: data processing, traffic simulation models, and Internet-based visualizations. It integrates OpenStreetMap, LandScanTM population, and other open data (Census Transportation Planning Products, National household Travel Survey, etc.) to generate both normal traffic operation and emergency evacuation scenarios. TUMS integrates TRANSIMS and MITSIM as traffic simulation engines, which are open-source and widely-accepted for scalable traffic simulations. Consistent data and simulation platform allows quick adaption to various geographic areas that has been demonstrated for multiple cities across the world. We are combining the strengths of geospatial data sciences, high performance simulations, transportation planning, and emissions, vehicle and energy technology development to design and develop a simulation framework to assist decision makers at all levels - local, state, regional, and federal. Using Cleveland, Tennessee as an example, in this presentation, we illustrate how emerging cities could easily assess future land use scenario driven impacts on energy and environment utilizing such a capability.

Prediction of potency of protease inhibitors using free energy simulations with polarizable quantum mechanics-based ligand charges and a hybrid water model.

PubMed

Das, Debananda; Koh, Yasuhiro; Tojo, Yasushi; Ghosh, Arun K; Mitsuya, Hiroaki

2009-12-01

Reliable and robust prediction of the binding affinity for drug molecules continues to be a daunting challenge. We simulated the binding interactions and free energy of binding of nine protease inhibitors (PIs) with wild-type and various mutant proteases by performing GBSA simulations in which each PI's partial charge was determined by quantum mechanics (QM) and the partial charge accounts for the polarization induced by the protease environment. We employed a hybrid solvation model that retains selected explicit water molecules in the protein with surface-generalized Born (SGB) implicit solvent. We examined the correlation of the free energy with the antiviral potency of PIs with regard to amino acid substitutions in protease. The GBSA free energy thus simulated showed strong correlations (r > 0.75) with antiviral IC(50) values of PIs when amino acid substitutions were present in the protease active site. We also simulated the binding free energy of PIs with P2-bis-tetrahydrofuranylurethane (bis-THF) or related cores, utilizing a bis-THF-containing protease crystal structure as a template. The free energy showed a strong correlation (r = 0.93) with experimentally determined anti-HIV-1 potency. The present data suggest that the presence of selected explicit water in protein and protein polarization-induced quantum charges for the inhibitor, compared to lack of explicit water and a static force-field-based charge model, can serve as an improved lead optimization tool and warrants further exploration.

Molecular dynamics simulation of highly charged proteins: Comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions

PubMed Central

Gargallo, Raimundo; Hünenberger, Philippe H.; Avilés, Francesc X.; Oliva, Baldomero

2003-01-01

Molecular dynamics (MD) simulations of the activation domain of porcine procarboxypeptidase B (ADBp) were performed to examine the effect of using the particle-particle particle-mesh (P3M) or the reaction field (RF) method for calculating electrostatic interactions in simulations of highly charged proteins. Several structural, thermodynamic, and dynamic observables were derived from the MD trajectories, including estimated entropies and solvation free energies and essential dynamics (ED). The P3M method leads to slightly higher atomic positional fluctuations and deviations from the crystallographic structure, along with somewhat lower values of the total energy and solvation free energy. However, the ED analysis of the system leads to nearly identical results for both simulations. Because of the strong similarity between the results, both methods appear well suited for the simulation of highly charged globular proteins in explicit solvent. However, the lower computational demand of the RF method in the present implementation represents a clear advantage over the P3M method. PMID:14500874

Operative air temperature data for different measures applied on a building envelope in warm climate.

PubMed

Baglivo, Cristina; Congedo, Paolo Maria

2018-04-01

Several technical combinations have been evaluated in order to design high energy performance buildings for the warm climate. The analysis has been developed in several steps, avoiding the use of HVAC systems. The methodological approach of this study is based on a sequential search technique and it is shown on the paper entitled "Envelope Design Optimization by Thermal Modeling of a Building in a Warm Climate" [1]. The Operative Air Temperature trends (TOP), for each combination, have been plotted through a dynamic simulation performed using the software TRNSYS 17 (a transient system simulation program, University of Wisconsin, Solar Energy Laboratory, USA, 2010). Starting from the simplest building configuration consisting of 9 rooms (equal-sized modules of 5 × 5 m 2 ), the different building components are sequentially evaluated until the envelope design is optimized. The aim of this study is to perform a step-by-step simulation, simplifying as much as possible the model without making additional variables that can modify their performances. Walls, slab-on-ground floor, roof, shading and windows are among the simulated building components. The results are shown for each combination and evaluated for Brindisi, a city in southern Italy having 1083 degrees day, belonging to the national climatic zone C. The data show the trends of the TOP for each measure applied in the case study for a total of 17 combinations divided into eight steps.

A feasibility study for anatomical noise reduction in dual-energy chest digital tomosynthesis

NASA Astrophysics Data System (ADS)

Lee, D.; Kim, Y.-s.; Choi, S.; Lee, H.; Choi, S.; Kim, H.-J.

2016-01-01

Lung cancer is the leading cause of cancer death worldwide. Thus, early diagnosis is of considerable importance. For early screening of lung cancer, computed tomography (CT) has been used as the gold standard. Chest digital tomosynthesis (CDT) is a recently introduced modality for lung cancer screening with a relatively low radiation dose compared to CT. The dual energy material decomposition method has been proposed for better detection of pulmonary nodules by means of reducing anatomical noise. In this study, the possibility of material decomposition in CDT was tested by both a simulation study and an experimental study using a CDT prototype. The Geant4 application for tomographic emission (GATE) v6 and tungsten anode spectral model using interpolating polynomials (TASMIP) codes were used for the simulation study to create simulated phantom shapes consisting of five inner cylinders filled with different densities of bone and airequivalent materials. Furthermore, the CDT prototype system and human phantom chest were used for the experimental study. CDT scan in both the simulation and experimental studies was performed with linear movement and 21 projection images were obtained over a 30 degree angular range with a 1.5 degree angular interval. To obtain materialselective images, a projectionbased energy subtraction technique was applied to high and low energy images. The resultant simulation images showed that dual-energy reconstruction could achieve an approximately 32% higher contrast to noise ratio (CNR) in images and the difference in CNR value according to bone density was significant compared to single energy CDT. Additionally, image artifacts were effectively corrected in dual energy CDT simulation studies. Likewise the experimental study with dual energy produced clear images of lung fields and bone structure by removing unnecessary anatomical structures. Dual energy tomosynthesis is a new technique; therefore, there is little guidance regarding its integration into clinical practice and this study can be used to improve the diagnostic efficiency of lung field and spinal bone screening using CDT.

Caffeine-containing energy drink improves physical performance of elite rugby players during a simulated match.

PubMed

Del Coso, Juan; Ramírez, Juan A; Muñoz, Gloria; Portillo, Javier; Gonzalez-Millán, Cristina; Muñoz, Víctor; Barbero-Álvarez, José C; Muñoz-Guerra, Jesús

2013-04-01

The purpose of this study was to investigate the effectiveness of a caffeine-containing energy drink in enhancing rugby players' physical performance during a simulated match. A second purpose was to determine the urinary caffeine excretion derived from the energy drink intake. In a randomized and counterbalanced order, 26 elite rugby players (mean ± SD for age and body mass, 25 ± 2 y and 93 ± 15 kg) played 2 simulated rugby games (2 × 30 min) 60 min after ingesting (i) 3 mg of caffeine per kilogram of body mass in the form of an energy drink (Fure, ProEnergetics) or (ii) the same drink without caffeine (placebo). During the matches, the individual running distance and the instantaneous speed were measured, and the number of running actions above 20 km·h(-1) (i.e., sprints) were determined, using global positioning system devices. The number of impacts above 5 g during the matches was determined by accelerometry. The ingestion of the energy drink, compared with the placebo, increased the total distance covered during the match (4749 ± 589 vs 5139 ± 475 m, p < 0.05), the running distance covered at more than 20 km·h(-1) (184 ± 38 vs 208 ± 38 m, p < 0.05), and the number of sprints (10 ± 7 vs 12 ± 7, p < 0.05). The ingestion of the energy drink also resulted in a greater overall number of impacts (481 ± 352 vs 641 ± 366, p < 0.05) and a higher postexercise urine caffeine concentration (0.1 ± 0.1 vs 2.4 ± 0.9 μg·mL(-1), p < 0.05). The use of an energy drink with a caffeine dose equivalent to 3 mg·kg(-1) considerably enhanced the movement patterns of rugby players during a simulated match.

Fluid-structure interaction simulations of the Fontan procedure using variable wall properties.

PubMed

Long, C C; Hsu, M-C; Bazilevs, Y; Feinstein, J A; Marsden, A L

2012-05-01

Children born with single ventricle heart defects typically undergo a staged surgical procedure culminating in a total cavopulmonary connection (TCPC) or Fontan surgery. The goal of this work was to perform physiologic, patient-specific hemodynamic simulations of two post-operative TCPC patients by using fluid-structure interaction (FSI) simulations. Data from two patients are presented, and post-op anatomy is reconstructed from MRI data. Respiration rate, heart rate, and venous pressures are obtained from catheterization data, and inflow rates are obtained from phase contrast MRI data and are used together with a respiratory model. Lumped parameter (Windkessel) boundary conditions are used at the outlets. We perform FSI simulations by using an arbitrary Lagrangian-Eulerian finite element framework to account for motion of the blood vessel walls in the TCPC. This study is the first to introduce variable elastic properties for the different areas of the TCPC, including a Gore-Tex conduit. Quantities such as wall shear stresses and pressures at critical locations are extracted from the simulation and are compared with pressure tracings from clinical data as well as with rigid wall simulations. Hepatic flow distribution and energy efficiency are also calculated and compared for all cases. There is little effect of FSI on pressure tracings, hepatic flow distribution, and time-averaged energy efficiency. However, the effect of FSI on wall shear stress, instantaneous energy efficiency, and wall motion is significant and should be considered in future work, particularly for accurate prediction of thrombus formation. Copyright © 2012 John Wiley & Sons, Ltd.

High-Fidelity Simulations of Electrically-Charged Atomizing Diesel-Type Jets

NASA Astrophysics Data System (ADS)

Gaillard, Benoit; Owkes, Mark; van Poppel, Bret

2015-11-01

Combustion of liquid fuels accounts for over a third of the energy usage today. Improving efficiency of combustion systems is critical to meet the energy needs while limiting environmental impacts. Additionally, a shift away from traditional fossil fuels to bio-derived alternatives requires fuel injection systems that can atomize fuels with a wide range of properties. In this work, the potential benefits of electrically-charged atomization is investigated using numerical simulations. Particularly, the electrostatic forces on the hydrodynamic jet are quantified and the impact of the forces is analyzed by comparing simulations of Diesel-type jets at realistic flow conditions. The simulations are performed using a state-of-the-art numerical framework that globally conserves mass, momentum, and the electric charge density even at the gas-liquid interface where discontinuities exist.

Update on 2-D OMEGA Capsule Implosions

NASA Astrophysics Data System (ADS)

Bradley, Paul

2017-10-01

We have an upgraded laser energy deposition package in our AMR-Eulerian radiation-hydrodynamic code called RAGE. As part of our validation effort, we ran 2-D simulations for a series of OMEGA direct drive implosion capsules that have shell thickness ranging from 7.2 to 29.3 μm and different gas fills. These simulations include the effect of surface roughness, laser spot non-uniformity, the mounting stalk, and the glue spot. We examined the sensitivity of our simulated results to mesh resolution and mix model. Our simulated results compare well to the experimental yield, ion temperature, burn width, and x-ray size data. Work performed by Los Alamos National Laboratory under contract DE-AC52-06NA25396 for the National Nuclear Security Administration of the U.S. Department of Energy.

Dynamic energy models and carbon mitigation policies

NASA Astrophysics Data System (ADS)

Tilley, Luke A.

In this dissertation I examine a specific class of energy models and their implications for carbon mitigation policies. The class of models includes a production function capable of reproducing the empirically observed phenomenon of short run rigidity of energy use in response to energy price changes and long run exibility of energy use in response to energy price changes. I use a theoretical model, parameterized using empirical data, to simulate economic performance under several tax regimes where taxes are levied on capital income, investment, and energy. I also investigate transitions from one tax regime to another. I find that energy taxes intended to reduce energy use can successfully achieve those goals with minimal or even positive impacts on macroeconomic performance. But the transition paths to new steady states are lengthy, making political commitment to such policies very challenging.

Development of a CSP plant energy yield calculation tool applying predictive models to analyze plant performance sensitivities

NASA Astrophysics Data System (ADS)

Haack, Lukas; Peniche, Ricardo; Sommer, Lutz; Kather, Alfons

2017-06-01

At early project stages, the main CSP plant design parameters such as turbine capacity, solar field size, and thermal storage capacity are varied during the techno-economic optimization to determine most suitable plant configurations. In general, a typical meteorological year with at least hourly time resolution is used to analyze each plant configuration. Different software tools are available to simulate the annual energy yield. Software tools offering a thermodynamic modeling approach of the power block and the CSP thermal cycle, such as EBSILONProfessional®, allow a flexible definition of plant topologies. In EBSILON, the thermodynamic equilibrium for each time step is calculated iteratively (quasi steady state), which requires approximately 45 minutes to process one year with hourly time resolution. For better presentation of gradients, 10 min time resolution is recommended, which increases processing time by a factor of 5. Therefore, analyzing a large number of plant sensitivities, as required during the techno-economic optimization procedure, the detailed thermodynamic simulation approach becomes impracticable. Suntrace has developed an in-house CSP-Simulation tool (CSPsim), based on EBSILON and applying predictive models, to approximate the CSP plant performance for central receiver and parabolic trough technology. CSPsim significantly increases the speed of energy yield calculations by factor ≥ 35 and has automated the simulation run of all predefined design configurations in sequential order during the optimization procedure. To develop the predictive models, multiple linear regression techniques and Design of Experiment methods are applied. The annual energy yield and derived LCOE calculated by the predictive model deviates less than ±1.5 % from the thermodynamic simulation in EBSILON and effectively identifies the optimal range of main design parameters for further, more specific analysis.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment

NASA Astrophysics Data System (ADS)

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J. A.; Setser, Donald W.; Hase, William L.

2017-10-01

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH3CN → HF + CH2CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH2CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH2CN and then trapping in the CH2CN⋯HF post-reaction potential energy well of ˜10 kcal/mol with respect to the HF + CH2CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH2CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH2CN rotation, and CH2CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH3CN → HF + CH2CN resemble those for other reactions. A detailed discussion is given of possible origins of the difference between the simulation and experimental energy partitioning dynamics for F + CH3CN → HF + CH2CN. The F + CH3CN reaction also forms the CH3C(F)N intermediate, in which the F-atom adds to the C≡N bond. However, this intermediate and F⋯CH3CN and CH3CN⋯F van der Waals complexes are not expected to affect the F + CH3CN → HF + CH2CN product energy partitioning.

Post-transition state dynamics and product energy partitioning following thermal excitation of the F⋯HCH2CN transition state: Disagreement with experiment.

PubMed

Pratihar, Subha; Ma, Xinyou; Xie, Jing; Scott, Rebecca; Gao, Eric; Ruscic, Branko; Aquino, Adelia J A; Setser, Donald W; Hase, William L

2017-10-14

Born-Oppenheimer direct dynamics simulations were performed to study atomistic details of the F + CH 3 CN → HF + CH 2 CN H-atom abstraction reaction. The simulation trajectories were calculated with a combined M06-2X/MP2 algorithm utilizing the 6-311++G** basis set. The experiments were performed at 300 K, and assuming the accuracy of transition state theory (TST), the trajectories were initiated at the F⋯HCH 2 CN abstraction TS with a 300 K Boltzmann distribution of energy and directed towards products. Recrossing of the TS was negligible, confirming the accuracy of TST. HF formation was rapid, occurring within 0.014 ps of the trajectory initiation. The intrinsic reaction coordinate (IRC) for reaction involves rotation of HF about CH 2 CN and then trapping in the CH 2 CN⋯HF post-reaction potential energy well of ∼10 kcal/mol with respect to the HF + CH 2 CN products. In contrast to this IRC, five different trajectory types were observed: the majority proceeded by direct H-atom transfer and only 11% approximately following the IRC. The HF vibrational and rotational quantum numbers, n and J, were calculated when HF was initially formed and they increase as potential energy is released in forming the HF + CH 2 CN products. The population of the HF product vibrational states is only in qualitative agreement with experiment, with the simulations showing depressed and enhanced populations of the n = 1 and 2 states as compared to experiment. Simulations with an anharmonic zero-point energy constraint gave product distributions for relative translation, HF rotation, HF vibration, CH 2 CN rotation, and CH 2 CN vibration as 5%, 11%, 60%, 7%, and 16%, respectively. In contrast, the experimental energy partitioning percentages to HF rotation and vibration are 6% and 41%. Comparisons are made between the current simulation and those for other F + H-atom abstraction reactions. The simulation product energy partitioning and HF vibrational population for F + CH 3 CN → HF + CH 2 CN resemble those for other reactions. A detailed discussion is given of possible origins of the difference between the simulation and experimental energy partitioning dynamics for F + CH 3 CN → HF + CH 2 CN. The F + CH 3 CN reaction also forms the CH 3 C(F)N intermediate, in which the F-atom adds to the C≡N bond. However, this intermediate and F⋯CH 3 CN and CH 3 CN⋯F van der Waals complexes are not expected to affect the F + CH 3 CN → HF + CH 2 CN product energy partitioning.

Study on a Mechanical Semi-Active Heave Compensation System of Drill String for Use on Floating Drilling Platform

PubMed Central

Liu, Qingyou; Tang, Yang; Huang, Chongjun; Xie, Chong

2015-01-01

There are some disadvantages for existing heave compensation systems of drill string used for the Floating Drilling Platform (FDP), including high energy consumption, large and complex structure, and expensive manufacturing and maintenance costs. In view of the above, we present a streamlined mechanical semi-active heave compensation system (MSAHC) in this study. This system consists of active compensation part with the pinion and rack and passive compensation part. In order to evaluate system performance of the MSAHC, we establish its simulation model with AMEsim software. In the process of simulation, displacement of rotary hook and energy consumption is regarded as performance parameters of the system. And the change rule of two performance parameters are analyzed by changing these design parameters including gear radius of the pinion and rack, scale coefficient of PID, rotary hook load, heave height and heave period of the FDP, and accumulator volume. Then, based on the simulation results of the MSAHC system performance, we have selected out a best set of design parameters from them. Moreover, the feasibility of the design scheme of the MSAHC is effectively verified by comparison with the existing three heave compensation system. The result shows that the energy consumption of the MSAHC is lower than the active heave compensation system (AHC) and the semi-active heave compensation system (SAHC) when achieving a same compensation effect as well as the accumulator volume of MSAHC is half of the passive heave compensation system (PHC). Therefore, the new designed MSAHC not only ensure compensation effect but also lower energy consumption, and its structure is simplified by adopting the simple mechanical structure to decrease manufacturing cost, maintenance cost and floor space. PMID:26186620

Molecular origin of differences in hole and electron mobility in amorphous Alq3--a multiscale simulation study.

PubMed

Fuchs, Andreas; Steinbrecher, Thomas; Mommer, Mario S; Nagata, Yuki; Elstner, Marcus; Lennartz, Christian

2012-03-28

In order to determine the molecular origin of the difference in electron and hole mobilities of amorphous thin films of Alq(3) (meridional Alq(3) (tris(8-hydroxyquinoline) aluminium)) we performed multiscale simulations covering quantum mechanics, molecular mechanics and lattice models. The study includes realistic disordered morphologies, polarized site energies to describe diagonal disorder, quantum chemically calculated transfer integrals for the off-diagonal disorder, inner sphere reorganization energies and an approximative scheme for outer sphere reorganization energies. Intermolecular transfer rates were calculated via Marcus-theory and mobilities were simulated via kinetic Monte Carlo simulations and by a Master Equation approach. The difference in electron and hole mobility originates from the different localization of charge density in the radical anion (more delocalized) compared to the radical cation (more confined). This results in higher diagonal disorder for holes and less favourable overlap properties for the hole transfer integrals leading to an overall higher electron mobility.

Numerical Simulation of a Solar Domestic Hot Water System

NASA Astrophysics Data System (ADS)

Mongibello, L.; Bianco, N.; Di Somma, M.; Graditi, G.; Naso, V.

2014-11-01

An innovative transient numerical model is presented for the simulation of a solar Domestic Hot Water (DHW) system. The solar collectors have been simulated by using a zerodimensional analytical model. The temperature distributions in the heat transfer fluid and in the water inside the tank have been evaluated by one-dimensional models. The reversion elimination algorithm has been used to include the effects of natural convection among the water layers at different heights in the tank on the thermal stratification. A finite difference implicit scheme has been implemented to solve the energy conservation equation in the coil heat exchanger, and the energy conservation equation in the tank has been solved by using the finite difference Euler implicit scheme. Energy conservation equations for the solar DHW components models have been coupled by means of a home-made implicit algorithm. Results of the simulation performed using as input data the experimental values of the ambient temperature and the solar irradiance in a summer day are presented and discussed.

Modeling and simulation of consumer response to dynamic pricing.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Valenzuela, J.; Thimmapuram, P.; Kim, J

2012-08-01

Assessing the impacts of dynamic-pricing under the smart grid concept is becoming extremely important for deciding its full deployment. In this paper, we develop a model that represents the response of consumers to dynamic pricing. In the model, consumers use forecasted day-ahead prices to shift daily energy consumption from hours when the price is expected to be high to hours when the price is expected to be low while maintaining the total energy consumption as unchanged. We integrate the consumer response model into the Electricity Market Complex Adaptive System (EMCAS). EMCAS is an agent-based model that simulates restructured electricity markets.more » We explore the impacts of dynamic-pricing on price spikes, peak demand, consumer energy bills, power supplier profits, and congestion costs. A simulation of an 11-node test network that includes eight generation companies and five aggregated consumers is performed for a period of 1 month. In addition, we simulate the Korean power system.« less

An Investigation of Molecular Docking and Molecular Dynamic Simulation on Imidazopyridines as B-Raf Kinase Inhibitors.

PubMed

Xie, Huiding; Li, Yupeng; Yu, Fang; Xie, Xiaoguang; Qiu, Kaixiong; Fu, Jijun

2015-11-16

In the recent cancer treatment, B-Raf kinase is one of key targets. Nowadays, a group of imidazopyridines as B-Raf kinase inhibitors have been reported. In order to investigate the interaction between this group of inhibitors and B-Raf kinase, molecular docking, molecular dynamic (MD) simulation and binding free energy (ΔGbind) calculation were performed in this work. Molecular docking was carried out to identify the key residues in the binding site, and MD simulations were performed to determine the detail binding mode. The results obtained from MD simulation reveal that the binding site is stable during the MD simulations, and some hydrogen bonds (H-bonds) in MD simulations are different from H-bonds in the docking mode. Based on the obtained MD trajectories, ΔGbind was computed by using Molecular Mechanics Generalized Born Surface Area (MM-GBSA), and the obtained energies are consistent with the activities. An energetic analysis reveals that both electrostatic and van der Waals contributions are important to ΔGbind, and the unfavorable polar solvation contribution results in the instability of the inhibitor with the lowest activity. These results are expected to understand the binding between B-Raf and imidazopyridines and provide some useful information to design potential B-Raf inhibitors.

Verification and Validation of EnergyPlus Phase Change Material Model for Opaque Wall Assemblies

DOE Office of Scientific and Technical Information (OSTI.GOV)

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

2012-08-01

Phase change materials (PCMs) represent a technology that may reduce peak loads and HVAC energy consumption in buildings. A few building energy simulation programs have the capability to simulate PCMs, but their accuracy has not been completely tested. This study shows the procedure used to verify and validate the PCM model in EnergyPlus using a similar approach as dictated by ASHRAE Standard 140, which consists of analytical verification, comparative testing, and empirical validation. This process was valuable, as two bugs were identified and fixed in the PCM model, and version 7.1 of EnergyPlus will have a validated PCM model. Preliminarymore » results using whole-building energy analysis show that careful analysis should be done when designing PCMs in homes, as their thermal performance depends on several variables such as PCM properties and location in the building envelope.« less

Enhancing physical performance in male volleyball players with a caffeine-containing energy drink.

PubMed

Del Coso, Juan; Pérez-López, Alberto; Abian-Vicen, Javier; Salinero, Juan Jose; Lara, Beatriz; Valadés, David

2014-11-01

There are no scientific data about the effects of caffeine intake on volleyball performance. The aim of this study was to investigate the effect of a caffeine-containing energy drink to enhance physical performance in male volleyball players. A double-blind, placebo-controlled, randomized experimental design was used. In 2 different sessions separated by 1 wk, 15 college volleyball players ingested 3 mg of caffeine per kg of body mass in the form of an energy drink or the same drink without caffeine (placebo). After 60 min, participants performed volleyball-specific tests: standing spike test, maximal squat jump (SJ), maximal countermovement jump (CMJ), 15-s rebound jump test (15RJ), and agility T-test. Later, a simulated volleyball match was played and recorded. In comparison with the placebo drink, the ingestion of the caffeinated energy drink increased ball velocity in the spike test (73 ± 9 vs 75 ± 10 km/h, P < .05) and the mean jump height in SJ (31.1 ± 4.3 vs 32.7 ± 4.2 cm, P < .05), CMJ (35.9 ± 4.6 vs 37.7 ± 4.4 cm, P < .05), and 15RJ (29.0 ± 4.0 vs 30.5 ± 4.6 cm, P < .05). The time to complete the agility test was significantly reduced with the caffeinated energy drink (10.8 ± 0.7 vs 10.3 ± 0.4 s, P < .05). In addition, players performed successful volleyball actions more frequently (24.6% ± 14.3% vs 34.3% ± 16.5%, P < .05) with the ingestion of the caffeinated energy drink than with the placebo drink during the simulated game. A caffeine-containing energy drink, with a dose equivalent to 3 mg of caffeine per kg body mass, might be an effective ergogenic aid to improve physical performance and accuracy in male volleyball players.

Model Predictive Control-based Optimal Coordination of Distributed Energy Resources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayhorn, Ebony T.; Kalsi, Karanjit; Lian, Jianming

2013-01-07

Distributed energy resources, such as renewable energy resources (wind, solar), energy storage and demand response, can be used to complement conventional generators. The uncertainty and variability due to high penetration of wind makes reliable system operations and controls challenging, especially in isolated systems. In this paper, an optimal control strategy is proposed to coordinate energy storage and diesel generators to maximize wind penetration while maintaining system economics and normal operation performance. The goals of the optimization problem are to minimize fuel costs and maximize the utilization of wind while considering equipment life of generators and energy storage. Model predictive controlmore » (MPC) is used to solve a look-ahead dispatch optimization problem and the performance is compared to an open loop look-ahead dispatch problem. Simulation studies are performed to demonstrate the efficacy of the closed loop MPC in compensating for uncertainties and variability caused in the system.« less

Model Predictive Control-based Optimal Coordination of Distributed Energy Resources

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mayhorn, Ebony T.; Kalsi, Karanjit; Lian, Jianming

2013-04-03

Distributed energy resources, such as renewable energy resources (wind, solar), energy storage and demand response, can be used to complement conventional generators. The uncertainty and variability due to high penetration of wind makes reliable system operations and controls challenging, especially in isolated systems. In this paper, an optimal control strategy is proposed to coordinate energy storage and diesel generators to maximize wind penetration while maintaining system economics and normal operation performance. The goals of the optimization problem are to minimize fuel costs and maximize the utilization of wind while considering equipment life of generators and energy storage. Model predictive controlmore » (MPC) is used to solve a look-ahead dispatch optimization problem and the performance is compared to an open loop look-ahead dispatch problem. Simulation studies are performed to demonstrate the efficacy of the closed loop MPC in compensating for uncertainties and variability caused in the system.« less

Time Step Considerations when Simulating Dynamic Behavior of High Performance Homes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tabares-Velasco, Paulo Cesar

2016-09-01

Building energy simulations, especially those concerning pre-cooling strategies and cooling/heating peak demand management, require careful analysis and detailed understanding of building characteristics. Accurate modeling of the building thermal response and material properties for thermally massive walls or advanced materials like phase change materials (PCMs) are critically important.

Computer simulations of alkali-acetate solutions: Accuracy of the forcefields in difference concentrations

NASA Astrophysics Data System (ADS)

Ahlstrand, Emma; Zukerman Schpector, Julio; Friedman, Ran

2017-11-01

When proteins are solvated in electrolyte solutions that contain alkali ions, the ions interact mostly with carboxylates on the protein surface. Correctly accounting for alkali-carboxylate interactions is thus important for realistic simulations of proteins. Acetates are the simplest carboxylates that are amphipathic, and experimental data for alkali acetate solutions are available and can be compared with observables obtained from simulations. We carried out molecular dynamics simulations of alkali acetate solutions using polarizable and non-polarizable forcefields and examined the ion-acetate interactions. In particular, activity coefficients and association constants were studied in a range of concentrations (0.03, 0.1, and 1M). In addition, quantum-mechanics (QM) based energy decomposition analysis was performed in order to estimate the contribution of polarization, electrostatics, dispersion, and QM (non-classical) effects on the cation-acetate and cation-water interactions. Simulations of Li-acetate solutions in general overestimated the binding of Li+ and acetates. In lower concentrations, the activity coefficients of alkali-acetate solutions were too high, which is suggested to be due to the simulation protocol and not the forcefields. Energy decomposition analysis suggested that improvement of the forcefield parameters to enable accurate simulations of Li-acetate solutions can be achieved but may require the use of a polarizable forcefield. Importantly, simulations with some ion parameters could not reproduce the correct ion-oxygen distances, which calls for caution in the choice of ion parameters when protein simulations are performed in electrolyte solutions.

Experiments evaluating compliance and force feedback effect on manipulator performance

NASA Technical Reports Server (NTRS)

Kugath, D. A.

1972-01-01

The performance capability was assessed of operators performing simulated space tasks using manipulator systems which had compliance and force feedback varied. Two manipulators were used, the E-2 electromechanical man-equivalent (force, reach, etc.) master-slave system and a modified CAM 1400 hydraulic master-slave with 100 lbs force capability at reaches of 24 ft. The CAM 1400 was further modified to operate without its normal force feedback. Several experiments and simulations were performed. The first two involved the E-2 absorbing the energy of a moving mass and secondly, guiding a mass thru a maze. Thus, both work and self paced tasks were studied as servo compliance was varied. Three simulations were run with the E-2 mounted on the CAM 1400 to evaluate the concept of a dexterous manipulator as an end effector of a boom-manipulator. Finally, the CAM 1400 performed a maze test and also simulated the capture of a large mass as the servo compliance was varied and with force feedback included and removed.

Simulation of radiation environment for the LHeC detector

NASA Astrophysics Data System (ADS)

Nayaz, Abdullah; Piliçer, Ercan; Joya, Musa

2017-02-01

The detector response and simulation of radiation environment for the Large Hadron electron Collider (LHeC) baseline detector is estimated to predict its performance over the lifetime of the project. In this work, the geometry of the LHeC detector, as reported in LHeC Conceptual Design Report (CDR), built in FLUKA Monte Carlo tool in order to simulate the detector response and radiation environment. For this purpose, events of electrons and protons with high enough energy were sent isotropically from interaction point of the detector. As a result, the detector response and radiation background for the LHeC detector, with different USRBIN code (ENERGY, HADGT20M, ALL-CHAR, ALL-PAR) in FLUKA, are presented.

Effects of two-temperature model on cascade evolution in Ni and NiFe

DOE PAGES

Samolyuk, German D.; Xue, Haizhou; Bei, Hongbin; ...

2016-07-05

We perform molecular dynamics simulations of Ni ion cascades in Ni and equiatomic NiFe under the following conditions: (a) classical molecular dynamics (MD) simulations without consideration of electronic energy loss, (b) classical MD simulations with the electronic stopping included, and (c) using the coupled two-temperature MD (2T-MD) model that incorporates both the electronic stopping and the electron-phonon interactions. Our results indicate that the electronic effects are more profound in the higher-energy cascades, and that the 2T-MD model results in a smaller amount of surviving damage and smaller defect clusters, while less damage is produced in NiFe than in Ni.

Kinetic Monte Carlo Simulation of Oxygen Diffusion in Ytterbium Disilicate

NASA Astrophysics Data System (ADS)

Good, Brian

2015-03-01

Ytterbium disilicate is of interest as a potential environmental barrier coating for aerospace applications, notably for use in next generation jet turbine engines. In such applications, the diffusion of oxygen and water vapor through these coatings is undesirable if high temperature corrosion is to be avoided. In an effort to understand the diffusion process in these materials, we have performed kinetic Monte Carlo simulations of vacancy-mediated oxygen diffusion in Ytterbium Disilicate. Oxygen vacancy site energies and diffusion barrier energies are computed using Density Functional Theory. We find that many potential diffusion paths involve large barrier energies, but some paths have barrier energies smaller than one electron volt. However, computed vacancy formation energies suggest that the intrinsic vacancy concentration is small in the pure material, with the result that the material is unlikely to exhibit significant oxygen permeability.

Airside HVAC BESTEST: HVAC Air-Distribution System Model Test Cases for ASHRAE Standard 140

DOE Office of Scientific and Technical Information (OSTI.GOV)

Judkoff, Ronald; Neymark, Joel; Kennedy, Mike D.

This paper summarizes recent work to develop new airside HVAC equipment model analytical verification test cases for ANSI/ASHRAE Standard 140, Standard Method of Test for the Evaluation of Building Energy Analysis Computer Programs. The analytical verification test method allows comparison of simulation results from a wide variety of building energy simulation programs with quasi-analytical solutions, further described below. Standard 140 is widely cited for evaluating software for use with performance-path energy efficiency analysis, in conjunction with well-known energy-efficiency standards including ASHRAE Standard 90.1, the International Energy Conservation Code, and other international standards. Airside HVAC Equipment is a common area ofmore » modelling not previously explicitly tested by Standard 140. Integration of the completed test suite into Standard 140 is in progress.« less

Structural mechanics simulations

NASA Technical Reports Server (NTRS)

Biffle, Johnny H.

1992-01-01

Sandia National Laboratory has a very broad structural capability. Work has been performed in support of reentry vehicles, nuclear reactor safety, weapons systems and components, nuclear waste transport, strategic petroleum reserve, nuclear waste storage, wind and solar energy, drilling technology, and submarine programs. The analysis environment contains both commercial and internally developed software. Included are mesh generation capabilities, structural simulation codes, and visual codes for examining simulation results. To effectively simulate a wide variety of physical phenomena, a large number of constitutive models have been developed.

The Development of Dynamic Human Reliability Analysis Simulations for Inclusion in Risk Informed Safety Margin Characterization Frameworks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jeffrey C. Joe; Diego Mandelli; Ronald L. Boring

2015-07-01

The United States Department of Energy is sponsoring the Light Water Reactor Sustainability program, which has the overall objective of supporting the near-term and the extended operation of commercial nuclear power plants. One key research and development (R&D) area in this program is the Risk-Informed Safety Margin Characterization pathway, which combines probabilistic risk simulation with thermohydraulic simulation codes to define and manage safety margins. The R&D efforts to date, however, have not included robust simulations of human operators, and how the reliability of human performance or lack thereof (i.e., human errors) can affect risk-margins and plant performance. This paper describesmore » current and planned research efforts to address the absence of robust human reliability simulations and thereby increase the fidelity of simulated accident scenarios.« less

Mesoscale energy deposition footprint model for kiloelectronvolt cluster bombardment of solids.

PubMed

Russo, Michael F; Garrison, Barbara J

2006-10-15

Molecular dynamics simulations have been performed to model 5-keV C60 and Au3 projectile bombardment of an amorphous water substrate. The goal is to obtain detailed insights into the dynamics of motion in order to develop a straightforward and less computationally demanding model of the process of ejection. The molecular dynamics results provide the basis for the mesoscale energy deposition footprint model. This model provides a method for predicting relative yields based on information from less than 1 ps of simulation time.

Spatial distribution of fluorescent light emitted from neon and nitrogen excited by low energy electron beams

NASA Astrophysics Data System (ADS)

Morozov, A.; Krücken, R.; Ulrich, A.; Wieser, J.

2006-11-01

Side-view intensity profiles of fluorescent light were measured for neon and nitrogen excited with 12keV electron beams at gas pressures from 250to1400hPa. The intensity profiles were compared with theoretical profiles calculated using the CASINO program which performs Monte Carlo simulations of electron scattering. It was assumed that the spatial distribution of fluorescent intensity is directly proportional to the spatial distribution of energy loss by primary electrons. The comparison shows good correlation of experimental data and the results of numeric simulations.

Path-integral molecular dynamics simulations of hydrated hydrogen chloride cluster HCl(H 2O) 4 on a semiempirical potential energy surface

NASA Astrophysics Data System (ADS)

Takayanagi, Toshiyuki; Takahashi, Kenta; Kakizaki, Akira; Shiga, Motoyuki; Tachikawa, Masanori

2009-04-01

Path-integral molecular dynamics simulations for the HCl(H 2O) 4 cluster have been performed on the ground-state potential energy surface directly obtained on-the-fly from semiempirical PM3-MAIS molecular orbital calculations. It is found that the HCl(H 2O) 4 cluster has structural rearrangement above the temperature of 300 K showing a liquid-like behavior. Quantum mechanical fluctuation of hydrogen nuclei plays a significant role in structural arrangement processes in this cluster.

On the identification of cohesive parameters for printed metal-polymer interfaces

NASA Astrophysics Data System (ADS)

Heinrich, Felix; Langner, Hauke H.; Lammering, Rolf

2017-05-01

The mechanical behavior of printed electronics on fiber reinforced composites is investigated. A methodology based on cohesive zone models is employed, considering interfacial strengths, stiffnesses and critical strain energy release rates. A double cantilever beam test and an end notched flexure test are carried out to experimentally determine critical strain energy release rates under fracture modes I and II. Numerical simulations are performed in Abaqus 6.13 to model both tests. Applying the simulations, an inverse parameter identification is run to determine the full set of cohesive parameters.

Window for Optimal Frequency Operation and Reliability of 3DEG and 2DEG Channels for Oxide Microwave MESFETs and HFETs

DTIC Science & Technology

2016-04-01

noise, and energy relaxation for doped zinc-oxide and structured ZnO transistor materials with a 2-D electron gas (2DEG) channel subjected to a strong...function on the time delay. Closed symbols represent the Monte Carlo data with hot-phonon effect at different electron gas density: 1•1017 cm-3...Monte Carlo simulation is performed for electron gas density of 1•1018 cm-3. Figure 18. Monte Carlo simulation of density-dependent hot-electron energy

Monte Carlo simulation of gamma-ray interactions in an over-square high-purity germanium detector for in-vivo measurements

NASA Astrophysics Data System (ADS)

Saizu, Mirela Angela

2016-09-01

The developments of high-purity germanium detectors match very well the requirements of the in-vivo human body measurements regarding the gamma energy ranges of the radionuclides intended to be measured, the shape of the extended radioactive sources, and the measurement geometries. The Whole Body Counter (WBC) from IFIN-HH is based on an “over-square” high-purity germanium detector (HPGe) to perform accurate measurements of the incorporated radionuclides emitting X and gamma rays in the energy range of 10 keV-1500 keV, under conditions of good shielding, suitable collimation, and calibration. As an alternative to the experimental efficiency calibration method consisting of using reference calibration sources with gamma energy lines that cover all the considered energy range, it is proposed to use the Monte Carlo method for the efficiency calibration of the WBC using the radiation transport code MCNP5. The HPGe detector was modelled and the gamma energy lines of 241Am, 57Co, 133Ba, 137Cs, 60Co, and 152Eu were simulated in order to obtain the virtual efficiency calibration curve of the WBC. The Monte Carlo method was validated by comparing the simulated results with the experimental measurements using point-like sources. For their optimum matching, the impact of the variation of the front dead layer thickness and of the detector photon absorbing layers materials on the HPGe detector efficiency was studied, and the detector’s model was refined. In order to perform the WBC efficiency calibration for realistic people monitoring, more numerical calculations were generated simulating extended sources of specific shape according to the standard man characteristics.

Acute consumption of a caffeinated energy drink enhances aspects of performance in sprint swimmers.

PubMed

Lara, Beatriz; Ruiz-Vicente, Diana; Areces, Francisco; Abián-Vicén, Javier; Salinero, Juan José; Gonzalez-Millán, Cristina; Gallo-Salazar, César; Del Coso, Juan

2015-09-28

This study investigated the effect of a caffeinated energy drink on various aspects of performance in sprint swimmers. In a randomised and counterbalanced order, fourteen male sprint swimmers performed two acute experimental trials after the ingestion of a caffeinated energy drink (3 mg/kg) or after the ingestion of the same energy drink without caffeine (0 mg/kg; placebo). After 60 min of ingestion of the beverages, the swimmers performed a countermovement jump, a maximal handgrip test, a 50 m simulated competition and a 45 s swim at maximal intensity in a swim ergometer. A blood sample was withdrawn 1 min after the completion of the ergometer test. In comparison with the placebo drink, the intake of the caffeinated energy drink increased the height in the countermovement jump (49.4 (SD 5.3) v. 50.9 (SD 5.2) cm, respectively; P<0.05) and maximal force during the handgrip test with the right hand (481 (SD 49) v. 498 (SD 43) N; P<0.05). Furthermore, the caffeinated energy drink reduced the time needed to complete the 50 m simulated swimming competition (27.8 (SD 3.4) v. 27.5 (SD 3.2) s; P<0.05), and it increased peak power (273 (SD 55) v. 303 (SD 49) W; P <0.05) and blood lactate concentration (11.0 (SD 2.0) v. 11.7 (SD 2.1) mM; P<0.05) during the ergometer test. The caffeinated energy drink did not modify the prevalence of insomnia (7 v. 7%), muscle pain (36 v. 36%) or headache (0 v. 7%) during the hours following its ingestion (P>0.05). A caffeinated energy drink increased some aspects of swimming performance in competitive sprinters, whereas the side effects derived from the intake of this beverage were marginal at this dosage.

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation.

PubMed

Eastman, Peter; Friedrichs, Mark S; Chodera, John D; Radmer, Randall J; Bruns, Christopher M; Ku, Joy P; Beauchamp, Kyle A; Lane, Thomas J; Wang, Lee-Ping; Shukla, Diwakar; Tye, Tony; Houston, Mike; Stich, Timo; Klein, Christoph; Shirts, Michael R; Pande, Vijay S

2013-01-08

OpenMM is a software toolkit for performing molecular simulations on a range of high performance computing architectures. It is based on a layered architecture: the lower layers function as a reusable library that can be invoked by any application, while the upper layers form a complete environment for running molecular simulations. The library API hides all hardware-specific dependencies and optimizations from the users and developers of simulation programs: they can be run without modification on any hardware on which the API has been implemented. The current implementations of OpenMM include support for graphics processing units using the OpenCL and CUDA frameworks. In addition, OpenMM was designed to be extensible, so new hardware architectures can be accommodated and new functionality (e.g., energy terms and integrators) can be easily added.

OpenMM 4: A Reusable, Extensible, Hardware Independent Library for High Performance Molecular Simulation

PubMed Central

Eastman, Peter; Friedrichs, Mark S.; Chodera, John D.; Radmer, Randall J.; Bruns, Christopher M.; Ku, Joy P.; Beauchamp, Kyle A.; Lane, Thomas J.; Wang, Lee-Ping; Shukla, Diwakar; Tye, Tony; Houston, Mike; Stich, Timo; Klein, Christoph; Shirts, Michael R.; Pande, Vijay S.

2012-01-01

OpenMM is a software toolkit for performing molecular simulations on a range of high performance computing architectures. It is based on a layered architecture: the lower layers function as a reusable library that can be invoked by any application, while the upper layers form a complete environment for running molecular simulations. The library API hides all hardware-specific dependencies and optimizations from the users and developers of simulation programs: they can be run without modification on any hardware on which the API has been implemented. The current implementations of OpenMM include support for graphics processing units using the OpenCL and CUDA frameworks. In addition, OpenMM was designed to be extensible, so new hardware architectures can be accommodated and new functionality (e.g., energy terms and integrators) can be easily added. PMID:23316124

Simulating the Response of a Composite Honeycomb Energy Absorber. Part 1; Dynamic Crushing of Components and Multi-Terrain Impacts

NASA Technical Reports Server (NTRS)

Jackson, Karen E.; Fasanella, Edwin L.; Polanco, Michael A.

2012-01-01

This paper describes the experimental and analytical evaluation of an externally deployable composite honeycomb structure that is designed to attenuate impact energy during helicopter crashes. The concept, designated the Deployable Energy Absorber (DEA), utilizes an expandable Kevlar (Registered Trademark) honeycomb to dissipate kinetic energy through crushing. The DEA incorporates a unique flexible hinge design that allows the honeycomb to be packaged and stowed until needed for deployment. Experimental evaluation of the DEA included dynamic crush tests of multi-cell components and vertical drop tests of a composite fuselage section, retrofitted with DEA blocks, onto multi-terrain. Finite element models of the test articles were developed and simulations were performed using the transient dynamic code, LSDYNA (Registered Trademark). In each simulation, the DEA was represented using shell elements assigned two different material properties: Mat 24, an isotropic piecewise linear plasticity model, and Mat 58, a continuum damage mechanics model used to represent laminated composite fabrics. DEA model development and test-analysis comparisons are presented.

Dynamic VMs placement for energy efficiency by PSO in cloud computing

NASA Astrophysics Data System (ADS)

Dashti, Seyed Ebrahim; Rahmani, Amir Masoud

2016-03-01

Recently, cloud computing is growing fast and helps to realise other high technologies. In this paper, we propose a hieratical architecture to satisfy both providers' and consumers' requirements in these technologies. We design a new service in the PaaS layer for scheduling consumer tasks. In the providers' perspective, incompatibility between specification of physical machine and user requests in cloud leads to problems such as energy-performance trade-off and large power consumption so that profits are decreased. To guarantee Quality of service of users' tasks, and reduce energy efficiency, we proposed to modify Particle Swarm Optimisation to reallocate migrated virtual machines in the overloaded host. We also dynamically consolidate the under-loaded host which provides power saving. Simulation results in CloudSim demonstrated that whatever simulation condition is near to the real environment, our method is able to save as much as 14% more energy and the number of migrations and simulation time significantly reduces compared with the previous works.

Advanced Grid Simulator for Multi-Megawatt Power Converter Testing and Certification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koralewicz, Przemyslaw; Gevorgian, Vahan; Wallen, Robb

2017-02-16

Grid integration testing of inverter-coupled renewable energy technologies is an essential step in the qualification of renewable energy and energy storage systems to ensure the stability of the power system. New types of devices must be thoroughly tested and validated for compliance with relevant grid codes and interconnection requirements. For this purpose, highly specialized custom-made testing equipment is needed to emulate various types of realistic grid conditions that are required by certification bodies or for research purposes. For testing multi-megawatt converters, a high power grid simulator capable of creating controlled grid conditions and meeting both power quality and dynamic characteristicsmore » is needed. This paper describes the new grid simulator concept based on ABB's medium voltage ACS6000 drive technology that utilizes advanced modulation and control techniques to create an unique testing platform for various multi-megawatt power converter systems. Its performance is demonstrated utilizing the test results obtained during commissioning activities at the National Renewable Energy Laboratory in Colorado, USA.« less

INVESTIGATION OF THE HUMIDITY EFFECT ON THE FAC-IR-300 IONIZATION CHAMBER RESPONSE.

PubMed

Mohammadi, Seyed Mostafa; Tavakoli-Anbaran, Hossein

2018-02-01

The free-air ionization chamber is communicating with the ambient air, therefore, the atmospheric parameters such as temperature, pressure and humidity effect on the ionization chamber performance. The free-air ionization chamber, entitled as FAC-IR-300, that design at the Atomic Energy Organization of Iran, AEOI, is required the atmospheric correction factors for correct the chamber reading. In this article, the effect of humidity on the ionization chamber response was investigated. For this reason, was introduced the humidity correction factor, kh. In this article, the Monte Carlo simulation was used to determine the kh factor. The simulation results show in relative humidities between 30% to 80%, the kh factor is equal 0.9970 at 20°C and 0.9975 at 22°C. From the simulation results, at low energy the energy dependence of the kh factor is significant and with increasing energy this dependence is negligible. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

The Laser Mega-Joule : LMJ & PETAL status and Program Overview

NASA Astrophysics Data System (ADS)

Miquel, J.-L.; Lion, C.; Vivini, P.

2016-03-01

The laser Megajoule (LMJ), developed by the French Commissariat à l'Energie Atomique et aux Energies Alternatives (CEA), will be a cornerstone of the French Simulation Program, which combines improvement of physics models, high performance numerical simulation, and experimental validation. The LMJ facility is under construction at CEA CESTA near Bordeaux and will provide the experimental capabilities to study High-Energy Density Physics (HEDP). One of its goals is to obtain ignition and burn of DT-filled capsules imploded, through indirect drive scheme, inside rugby-shape hohlraum. The PETAL project consists in the addition of one short-pulse (ps) ultra-high-power, high-energy beam (kJ) to the LMJ facility. PETAL will offer a combination of a very high intensity multi-petawatt beam, synchronized with the nanosecond beams of the LMJ. This combination will expand the LMJ experimental field on HEDP. This paper presents an update of LMJ & PETAL status, together with the development of the overall program including targets, plasma diagnostics and simulation tools.

Oxygen reduction on a Pt(111) catalyst in HT-PEM fuel cells by density functional theory

NASA Astrophysics Data System (ADS)

Sun, Hong; Li, Jie; Almheiri, Saif; Xiao, Jianyu

2017-08-01

The oxygen reduction reaction plays an important role in the performance of high-temperature proton exchange membrane (HT-PEM) fuel cells. In this study, a molecular dynamics model, which is based on the density functional theory and couples the system's energy, the exchange-correlation energy functional, the charge density distribution function, and the simplified Kohn-Sham equation, was developed to simulate the oxygen reduction reaction on a Pt(111) surface. Additionally, an electrochemical reaction system on the basis of a four-electron reaction mechanism was also developed for this simulation. The reaction path of the oxygen reduction reaction, the product structure of each reaction step and the system's energy were simulated. It is found that the first step reaction of the first hydrogen ion with the oxygen molecule is the controlling step of the overall reaction. Increasing the operating temperature speeds up the first step reaction rate and slightly decreases its reaction energy barrier. Our results provide insight into the working principles of HT-PEM fuel cells.

Optimizing physical energy functions for protein folding.

PubMed

Fujitsuka, Yoshimi; Takada, Shoji; Luthey-Schulten, Zaida A; Wolynes, Peter G

2004-01-01

We optimize a physical energy function for proteins with the use of the available structural database and perform three benchmark tests of the performance: (1) recognition of native structures in the background of predefined decoy sets of Levitt, (2) de novo structure prediction using fragment assembly sampling, and (3) molecular dynamics simulations. The energy parameter optimization is based on the energy landscape theory and uses a Monte Carlo search to find a set of parameters that seeks the largest ratio deltaE(s)/DeltaE for all proteins in a training set simultaneously. Here, deltaE(s) is the stability gap between the native and the average in the denatured states and DeltaE is the energy fluctuation among these states. Some of the energy parameters optimized are found to show significant correlation with experimentally observed quantities: (1) In the recognition test, the optimized function assigns the lowest energy to either the native or a near-native structure among many decoy structures for all the proteins studied. (2) Structure prediction with the fragment assembly sampling gives structure models with root mean square deviation less than 6 A in one of the top five cluster centers for five of six proteins studied. (3) Structure prediction using molecular dynamics simulation gives poorer performance, implying the importance of having a more precise description of local structures. The physical energy function solely inferred from a structural database neither utilizes sequence information from the family of the target nor the outcome of the secondary structure prediction but can produce the correct native fold for many small proteins. Copyright 2003 Wiley-Liss, Inc.

The prediction of the hydrodynamic performance of tidal current turbines

NASA Astrophysics Data System (ADS)

Y Xiao, B.; Zhou, L. J.; Xiao, Y. X.; Wang, Z. W.

2013-12-01

Nowadays tidal current energy is considered to be one of the most promising alternative green energy resources and tidal current turbines are used for power generation. Prediction of the open water performance around tidal turbines is important for the reason that it can give some advice on installation and array of tidal current turbines. This paper presents numerical computations of tidal current turbines by using a numerical model which is constructed to simulate an isolated turbine. This paper aims at studying the installation of marine current turbine of which the hydro-environmental impacts influence by means of numerical simulation. Such impacts include free-stream velocity magnitude, seabed and inflow direction of velocity. The results of the open water performance prediction show that the power output and efficiency of marine current turbine varies from different marine environments. The velocity distribution should be clearly and the suitable unit installation depth and direction be clearly chosen, which can ensure the most effective strategy for energy capture before installing the marine current turbine. The findings of this paper are expected to be beneficial in developing tidal current turbines and array in the future.

Measurement And Calculation of High-Energy Neutron Spectra Behind Shielding at the CERF 120-GeV/C Hadron Beam Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakao, N.; /SLAC; Taniguchi, S.

Neutron energy spectra were measured behind the lateral shield of the CERF (CERN-EU High Energy Reference Field) facility at CERN with a 120 GeV/c positive hadron beam (a mixture of mainly protons and pions) on a cylindrical copper target (7-cm diameter by 50-cm long). An NE213 organic liquid scintillator (12.7-cm diameter by 12.7-cm long) was located at various longitudinal positions behind shields of 80- and 160-cm thick concrete and 40-cm thick iron. The measurement locations cover an angular range with respect to the beam axis between 13 and 133{sup o}. Neutron energy spectra in the energy range between 32 MeVmore » and 380 MeV were obtained by unfolding the measured pulse height spectra with the detector response functions which have been verified in the neutron energy range up to 380 MeV in separate experiments. Since the source term and experimental geometry in this experiment are well characterized and simple and results are given in the form of energy spectra, these experimental results are very useful as benchmark data to check the accuracies of simulation codes and nuclear data. Monte Carlo simulations of the experimental set up were performed with the FLUKA, MARS and PHITS codes. Simulated spectra for the 80-cm thick concrete often agree within the experimental uncertainties. On the other hand, for the 160-cm thick concrete and iron shield differences are generally larger than the experimental uncertainties, yet within a factor of 2. Based on source term simulations, observed discrepancies among simulations of spectra outside the shield can be partially explained by differences in the high-energy hadron production in the copper target.« less

Relative significance of heat transfer processes to quantify tradeoffs between complexity and accuracy of energy simulations with a building energy use patterns classification

NASA Astrophysics Data System (ADS)

Heidarinejad, Mohammad

This dissertation develops rapid and accurate building energy simulations based on a building classification that identifies and focuses modeling efforts on most significant heat transfer processes. The building classification identifies energy use patterns and their contributing parameters for a portfolio of buildings. The dissertation hypothesis is "Building classification can provide minimal required inputs for rapid and accurate energy simulations for a large number of buildings". The critical literature review indicated there is lack of studies to (1) Consider synoptic point of view rather than the case study approach, (2) Analyze influence of different granularities of energy use, (3) Identify key variables based on the heat transfer processes, and (4) Automate the procedure to quantify model complexity with accuracy. Therefore, three dissertation objectives are designed to test out the dissertation hypothesis: (1) Develop different classes of buildings based on their energy use patterns, (2) Develop different building energy simulation approaches for the identified classes of buildings to quantify tradeoffs between model accuracy and complexity, (3) Demonstrate building simulation approaches for case studies. Penn State's and Harvard's campus buildings as well as high performance LEED NC office buildings are test beds for this study to develop different classes of buildings. The campus buildings include detailed chilled water, electricity, and steam data, enabling to classify buildings into externally-load, internally-load, or mixed-load dominated. The energy use of the internally-load buildings is primarily a function of the internal loads and their schedules. Externally-load dominated buildings tend to have an energy use pattern that is a function of building construction materials and outdoor weather conditions. However, most of the commercial medium-sized office buildings have a mixed-load pattern, meaning the HVAC system and operation schedule dictate the indoor condition regardless of the contribution of internal and external loads. To deploy the methodology to another portfolio of buildings, simulated LEED NC office buildings are selected. The advantage of this approach is to isolate energy performance due to inherent building characteristics and location, rather than operational and maintenance factors that can contribute to significant variation in building energy use. A framework for detailed building energy databases with annual energy end-uses is developed to select variables and omit outliers. The results show that the high performance office buildings are internally-load dominated with existence of three different clusters of low-intensity, medium-intensity, and high-intensity energy use pattern for the reviewed office buildings. Low-intensity cluster buildings benefit from small building area, while the medium- and high-intensity clusters have a similar range of floor areas and different energy use intensities. Half of the energy use in the low-intensity buildings is associated with the internal loads, such as lighting and plug loads, indicating that there are opportunities to save energy by using lighting or plug load management systems. A comparison between the frameworks developed for the campus buildings and LEED NC office buildings indicates these two frameworks are complementary to each other. Availability of the information has yielded to two different procedures, suggesting future studies for a portfolio of buildings such as city benchmarking and disclosure ordinance should collect and disclose minimal required inputs suggested by this study with the minimum level of monthly energy consumption granularity. This dissertation developed automated methods using the OpenStudio API (Application Programing Interface) to create energy models based on the building class. ASHRAE Guideline 14 defines well-accepted criteria to measure accuracy of energy simulations; however, there is no well-accepted methodology to quantify the model complexity without the influence of the energy modeler judgment about the model complexity. This study developed a novel method using two weighting factors, including weighting factors based on (1) computational time and (2) easiness of on-site data collection, to measure complexity of the energy models. Therefore, this dissertation enables measurement of both model complexity and accuracy as well as assessment of the inherent tradeoffs between energy simulation model complexity and accuracy. The results of this methodology suggest for most of the internal load contributors such as operation schedules the on-site data collection adds more complexity to the model compared to the computational time. Overall, this study provided specific data on tradeoffs between accuracy and model complexity that points to critical inputs for different building classes, rather than an increase in the volume and detail of model inputs as the current research and consulting practice indicates. (Abstract shortened by UMI.).

Fully kinetic 3D simulations of the Hermean magnetosphere under realistic conditions: a new approach

NASA Astrophysics Data System (ADS)

Amaya, Jorge; Gonzalez-Herrero, Diego; Lembège, Bertrand; Lapenta, Giovanni

2017-04-01

Simulations of the magnetosphere of planets are usually performed using the MHD and the hybrid approaches. However, these two methods still rely on approximations for the computation of the pressure tensor, and require the neutrality of the plasma at every point of the domain by construction. These approximations undermine the role of electrons on the emergence of plasma features in the magnetosphere of planets. The high mobility of electrons, their characteristic time and space scales, and the lack of perfect neutrality, are the source of many observed phenomena in the magnetospheres, including the turbulence energy cascade, the magnetic reconnection, the particle acceleration in the shock front and the formation of current systems around the magnetosphere. Fully kinetic codes are extremely demanding of computing time, and have been unable to perform simulations of the full magnetosphere at the real scales of a planet with realistic plasma conditions. This is caused by two main reasons: 1) explicit codes must resolve the electron scales limiting the time and space discretisation, and 2) current versions of semi-implicit codes are unstable for cell sizes larger than a few Debye lengths. In this work we present new simulations performed with ECsim, an Energy Conserving semi-implicit method [1], that can overcome these two barriers. We compare the solutions obtained with ECsim with the solutions obtained by the classic semi-implicit code iPic3D [2]. The new simulations with ECsim demand a larger computational effort, but the time and space discretisations are larger than those in iPic3D allowing for a faster simulation time of the full planetary environment. The new code, ECsim, can reach a resolution allowing the capture of significant large scale physics without loosing kinetic electron information, such as wave-electron interaction and non-Maxwellian electron velocity distributions [3]. The code is able to better capture the thickness of the different boundary layers of the magnetosphere of Mercury. Electron kinetics are consistent with the spatial and temporal scale resolutions. Simulations are compared with measurements from the MESSENGER spacecraft showing a better fit when compared against the classic fully kinetic code iPic3D. These results show that the new generation of Energy Conserving semi-implicit codes can be used for an accurate analysis and interpretation of particle data from magnetospheric missions like BepiColombo and MMS, including electron velocity distributions and electron temperature anisotropies. [1] Lapenta, G. (2016). Exactly Energy Conserving Implicit Moment Particle in Cell Formulation. arXiv preprint arXiv:1602.06326. [2] Markidis, S., & Lapenta, G. (2010). Multi-scale simulations of plasma with iPIC3D. Mathematics and Computers in Simulation, 80(7), 1509-1519. [3] Lapenta, G., Gonzalez-Herrero, D., & Boella, E. (2016). Multiple scale kinetic simulations with the energy conserving semi implicit particle in cell (PIC) method. arXiv preprint arXiv:1612.08289.

A swimming pool array for ultra high energy showers

NASA Astrophysics Data System (ADS)

Yodh, Gaurang B.; Shoup, Anthony; Barwick, Steve; Goodman, Jordan A.

1992-11-01

A very preliminary design concept for an array using water Cherenkov counters, built out of commercially available backyard swimming pools, to sample the electromagnetic and muonic components of ultra high energy showers at large lateral distances is presented. The expected performance of the pools is estimated using the observed lateral distributions by scintillator and water Cherenkov arrays at energies above 1019 eV and simulations.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Martin, R; Pan, T; Li, B

Purpose: Dual energy CT has a variety of uses in a small animal setting including quantification and enhanced visualization of contrast agent. This study aims to determine the best energy combinations for contrast enhanced DECT on the XRAD 225Cx (Precision x-ray), a small animal IGRT system with a nominal energy range of 20 – 225 kVp. Focus was placed on material density accuracy and low contrast detectability. Methods: Simulations of single energy scans of an object containing concentrations of iodine varying from 0.5 to 50 mg/ml were performed using the simulation package ImaSim. Energy spectra from 50 – 220 kVpmore » were calculated using the same software. For approximate Poisson noise modeling, mAs were chosen such that 30% of the total 10cGy dose was assigned to the low energy scan. A calibration involving projections of objects containing different thicknesses of iodine (0–0.5 mm) and water (0–50 mm) was performed for each energy and fit to a cubic equation as the calibration curve for each energy pair. Results: Contrast to noise ratios of the iodine material images and accuracies in iodine density measurements were measured. Gradual improvements in each metric were seen with increasing high energy. Larger improvements in CNR were observed for decreasing the low energy. Errors in iodine density were generally close to 5% for concentrations of iodine above 3 mg/ml but increased to around 15% for 50 kVp, likely due to its proximity to the discontinuity caused by the k-edge of iodine. Conclusion: Based on these simulations, the best energy combination for detecting low concentrations of iodine using a projection space calibration procedure is 50/200 kVp. However, if accuracy is most important 80/220 kVp is ideal, with 60/220 kVp being a good compromise to achieve both goals. Future work is necessary to verify these conclusions with physical data.« less

SU-F-J-56: The Connection Between Cherenkov Light Emission and Radiation Absorbed Dose in Proton Irradiated Phantoms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Darafsheh, A; Kassaee, A; Finlay, J

Purpose: Range verification in proton therapy is of great importance. Cherenkov light follows the photon and electron energy deposition in water phantom. The purpose of this study is to investigate the connection between Cherenkov light generation and radiation absorbed dose in a water phantom irradiated with proton beams. Methods: Monte Carlo simulation was performed by employing FLUKA Monte Carlo code to stochastically simulate radiation transport, ionizing radiation dose deposition, and Cherenkov radiation in water phantoms. The simulations were performed for proton beams with energies in the range 50–600 MeV to cover a wide range of proton energies. Results: The mechanismmore » of Cherenkov light production depends on the initial energy of protons. For proton energy with 50–400 MeV energy that is below the threshold (∼483 MeV in water) for Cherenkov light production directly from incident protons, Cherenkov light is produced mainly from the secondary electrons liberated as a result of columbic interactions with the incident protons. For proton beams with energy above 500 MeV, in the initial depth that incident protons have higher energy than the Cherenkov light production threshold, the light has higher intensity. As the slowing down process results in lower energy protons in larger depths in the water phantom, there is a knee point in the Cherenkov light curve vs. depth due to switching the Cherenkov light production mechanism from primary protons to secondary electrons. At the end of the depth dose curve the Cherenkov light intensity does not follow the dose peak because of the lack of high energy protons to produce Cherenkov light either directly or through secondary electrons. Conclusion: In contrast to photon and electron beams, Cherenkov light generation induced by proton beams does not follow the proton energy deposition specially close to the end of the proton range near the Bragg peak.« less

Fragmentation-based QM/MM simulations: length dependence of chain dynamics and hydrogen bonding of polyethylene oxide and polyethylene in aqueous solutions.

PubMed

Li, Hui; Li, Wei; Li, Shuhua; Ma, Jing

2008-06-12

Molecular fragmentation quantum mechanics (QM) calculations have been combined with molecular mechanics (MM) to construct the fragmentation QM/MM method for simulations of dilute solutions of macromolecules. We adopt the electrostatics embedding QM/MM model, where the low-cost generalized energy-based fragmentation calculations are employed for the QM part. Conformation energy calculations, geometry optimizations, and Born-Oppenheimer molecular dynamics simulations of poly(ethylene oxide), PEO(n) (n = 6-20), and polyethylene, PE(n) ( n = 9-30), in aqueous solution have been performed within the framework of both fragmentation and conventional QM/MM methods. The intermolecular hydrogen bonding and chain configurations obtained from the fragmentation QM/MM simulations are consistent with the conventional QM/MM method. The length dependence of chain conformations and dynamics of PEO and PE oligomers in aqueous solutions is also investigated through the fragmentation QM/MM molecular dynamics simulations.

Simulating Afterburn with LLNL Hydrocodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Daily, L D

2004-06-11

Presented here is a working methodology for adapting a Lawrence Livermore National Laboratory (LLNL) developed hydrocode, ALE3D, to simulate weapon damage effects when afterburn is a consideration in the blast propagation. Experiments have shown that afterburn is of great consequence in enclosed environments (i.e. bomb in tunnel scenario, penetrating conventional munition in a bunker, or satchel charge placed in a deep underground facility). This empirical energy deposition methodology simulates the anticipated addition of kinetic energy that has been demonstrated by experiment (Kuhl, et. al. 1998), without explicitly solving the chemistry, or resolving the mesh to capture small-scale vorticity. This effortmore » is intended to complement the existing capability of either coupling ALE3D blast simulations with DYNA3D or performing fully coupled ALE3D simulations to predict building or component failure, for applications in National Security offensive strike planning as well as Homeland Defense infrastructure protection.« less

Optimized design and control of an off grid solar PV/hydrogen fuel cell power system for green buildings

NASA Astrophysics Data System (ADS)

Ghenai, C.; Bettayeb, M.

2017-11-01

Modelling, simulation, optimization and control strategies are used in this study to design a stand-alone solar PV/Fuel Cell/Battery/Generator hybrid power system to serve the electrical load of a commercial building. The main objective is to design an off grid energy system to meet the desired electric load of the commercial building with high renewable fraction, low emissions and low cost of energy. The goal is to manage the energy consumption of the building, reduce the associate cost and to switch from grid-tied fossil fuel power system to an off grid renewable and cleaner power system. Energy audit was performed in this study to determine the energy consumption of the building. Hourly simulations, modelling and optimization were performed to determine the performance and cost of the hybrid power configurations using different control strategies. The results show that the hybrid off grid solar PV/Fuel Cell/Generator/Battery/Inverter power system offers the best performance for the tested system architectures. From the total energy generated from the off grid hybrid power system, 73% is produced from the solar PV, 24% from the fuel cell and 3% from the backup Diesel generator. The produced power is used to meet all the AC load of the building without power shortage (<0.1%). The hybrid power system produces 18.2% excess power that can be used to serve the thermal load of the building. The proposed hybrid power system is sustainable, economically viable and environmentally friendly: High renewable fraction (66.1%), low levelized cost of energy (92 /MWh), and low carbon dioxide emissions (24 kg CO2/MWh) are achieved.

Enhancing physical performance in elite junior tennis players with a caffeinated energy drink.

PubMed

Gallo-Salazar, César; Areces, Francisco; Abián-Vicén, Javier; Lara, Beatriz; Salinero, Juan José; Gonzalez-Millán, Cristina; Portillo, Javier; Muñoz, Victor; Juarez, Daniel; Del Coso, Juan

2015-04-01

The aim of this study was to investigate the effectiveness of a caffeinated energy drink to enhance physical performance in elite junior tennis players. In 2 different sessions separated by 1 wk, 14 young (16 ± 1 y) elite-level tennis players ingested 3 mg caffeine per kg body mass in the form of an energy drink or the same drink without caffeine (placebo). After 60 min, participants performed a handgrip-strength test, a maximal-velocity serving test, and an 8 × 15-m sprint test and then played a simulated singles match (best of 3 sets). Instantaneous running speed during the matches was assessed using global positioning (GPS) devices. Furthermore, the matches were videotaped and notated afterward. In comparison with the placebo drink, the ingestion of the caffeinated energy drink increased handgrip force by ~4.2% ± 7.2% (P = .03) in both hands, the running pace at high intensity (46.7 ± 28.5 vs 63.3 ± 27.7 m/h, P = .02), and the number of sprints (12.1 ± 1.7 vs 13.2 ± 1.7, P = .05) during the simulated match. There was a tendency for increased maximal running velocity during the sprint test (22.3 ± 2.0 vs 22.9 ± 2.1 km/h, P = .07) and higher percentage of points won on service with the caffeinated energy drink (49.7% ± 9.8% vs 56.4% ± 10.0%, P = .07) in comparison with the placebo drink. The energy drink did not improve ball velocity during the serving test (42.6 ± 4.8 vs 42.7 ± 5.0 m/s, P = .49). The preexercise ingestion of caffeinated energy drinks was effective to enhance some aspects of physical performance of elite junior tennis players.

Kinetic energy spectra, vertical resolution and dissipation in high-resolution atmospheric simulations.

NASA Astrophysics Data System (ADS)

Skamarock, W. C.

2017-12-01

We have performed week-long full-physics simulations with the MPAS global model at 15 km cell spacing using vertical mesh spacings of 800, 400, 200 and 100 meters in the mid-troposphere through the mid-stratosphere. We find that the horizontal kinetic energy spectra in the upper troposphere and stratosphere does not converge with increasing vertical resolution until we reach 200 meter level spacing. Examination of the solutions indicates that significant inertia-gravity waves are not vertically resolved at the lower vertical resolutions. Diagnostics from the simulations indicate that the primary kinetic energy dissipation results from the vertical mixing within the PBL parameterization and from the gravity-wave drag parameterization, with smaller but significant contributions from damping in the vertical transport scheme and from the horizontal filters in the dynamical core. Most of the kinetic energy dissipation in the free atmosphere occurs within breaking mid-latitude baroclinic waves. We will briefly review these results and their implications for atmospheric model configuration and for atmospheric dynamics, specifically that related to the dynamics associated with the mesoscale kinetic energy spectrum.

Human System Simulation in Support of Human Performance Technical Basis at NPPs

DOE Office of Scientific and Technical Information (OSTI.GOV)

David Gertman; Katya Le Blanc; alan mecham

2010-06-01

This paper focuses on strategies and progress toward establishing the Idaho National Laboratory’s (INL’s) Human Systems Simulator Laboratory at the Center for Advanced Energy Studies (CAES), a consortium of Idaho State Universities. The INL is one of the National Laboratories of the US Department of Energy. One of the first planned applications for the Human Systems Simulator Laboratory is implementation of a dynamic nuclear power plant simulation (NPP) where studies of operator workload, situation awareness, performance and preference will be carried out in simulated control rooms including nuclear power plant control rooms. Simulation offers a means by which to reviewmore » operational concepts, improve design practices and provide a technical basis for licensing decisions. In preparation for the next generation power plant and current government and industry efforts in support of light water reactor sustainability, human operators will be attached to a suite of physiological measurement instruments and, in combination with traditional Human Factors Measurement techniques, carry out control room tasks in simulated advanced digital and hybrid analog/digital control rooms. The current focus of the Human Systems Simulator Laboratory is building core competence in quantitative and qualitative measurements of situation awareness and workload. Of particular interest is whether introduction of digital systems including automated procedures has the potential to reduce workload and enhance safety while improving situation awareness or whether workload is merely shifted and situation awareness is modified in yet to be determined ways. Data analysis is carried out by engineers and scientists and includes measures of the physical and neurological correlates of human performance. The current approach supports a user-centered design philosophy (see ISO 13407 “Human Centered Design Process for Interactive Systems, 1999) wherein the context for task performance along with the requirements of the end-user are taken into account during the design process and the validity of design is determined through testing of real end users« less

Fast Dynamic Simulation-Based Small Signal Stability Assessment and Control

DOE Office of Scientific and Technical Information (OSTI.GOV)

Acharya, Naresh; Baone, Chaitanya; Veda, Santosh

2014-12-31

Power grid planning and operation decisions are made based on simulation of the dynamic behavior of the system. Enabling substantial energy savings while increasing the reliability of the aging North American power grid through improved utilization of existing transmission assets hinges on the adoption of wide-area measurement systems (WAMS) for power system stabilization. However, adoption of WAMS alone will not suffice if the power system is to reach its full entitlement in stability and reliability. It is necessary to enhance predictability with "faster than real-time" dynamic simulations that will enable the dynamic stability margins, proactive real-time control, and improve gridmore » resiliency to fast time-scale phenomena such as cascading network failures. Present-day dynamic simulations are performed only during offline planning studies, considering only worst case conditions such as summer peak, winter peak days, etc. With widespread deployment of renewable generation, controllable loads, energy storage devices and plug-in hybrid electric vehicles expected in the near future and greater integration of cyber infrastructure (communications, computation and control), monitoring and controlling the dynamic performance of the grid in real-time would become increasingly important. The state-of-the-art dynamic simulation tools have limited computational speed and are not suitable for real-time applications, given the large set of contingency conditions to be evaluated. These tools are optimized for best performance of single-processor computers, but the simulation is still several times slower than real-time due to its computational complexity. With recent significant advances in numerical methods and computational hardware, the expectations have been rising towards more efficient and faster techniques to be implemented in power system simulators. This is a natural expectation, given that the core solution algorithms of most commercial simulators were developed decades ago, when High Performance Computing (HPC) resources were not commonly available.« less

QUEST FOR A NEW WORKING POINT IN RHIC.

DOE Office of Scientific and Technical Information (OSTI.GOV)

TOMAS,R.BAI,M.FISCHER,W.PTITSYN,V.SATOGATA,T.ROSER,T.

2004-07-05

The beam-beam interaction is a limiting factor in RHIC's performance, particularly in proton operation. Changing the working point is a strategy to alleviate the beam-beam effect and improve the performance of the machine. Experiments at injection energy and simulations have been performed for a set of working points to determine the best candidates.

Efficiency Enhancement of Chiller and Heat Pump Using Natural Working Fluids with Two-phase Flow Ejector

NASA Astrophysics Data System (ADS)

Yoshikawa, Choiku; Hattori, Kazuhiro; Jeong, Jongsoo; Saito, Kiyoshi; Kawai, Sunao

An ejector can transform the expansion energy of the driving flow into the pressure build-up energy of the suction flow. Therefore, by utilizing the ejector instead of the expansion valve for the vapor compression cycle, the performance of the cycle can be greatly improved. Until now, the performance of the vapor compression cycle with the ejector has not been examined sufficiently. Therefore, this paper constructs the simulation model of the vapor compression cycle with the ejector and investigates the performance of that cycle by the simulation. Working fluids are ammonia and CO2. As a result, in case of the ejector efficiency 90%, COP of the vapor compression cycle using ammonia with the ejector is 5% higher than that of the conventional cycle and COP using CO2 with the ejector is 22% higher than that of the conventional cycle.

Applications of the microdosimetric function implemented in the macroscopic particle transport simulation code PHITS.

PubMed

Sato, Tatsuhiko; Watanabe, Ritsuko; Sihver, Lembit; Niita, Koji

2012-01-01

Microdosimetric quantities such as lineal energy are generally considered to be better indices than linear energy transfer (LET) for expressing the relative biological effectiveness (RBE) of high charge and energy particles. To calculate their probability densities (PD) in macroscopic matter, it is necessary to integrate microdosimetric tools such as track-structure simulation codes with macroscopic particle transport simulation codes. As an integration approach, the mathematical model for calculating the PD of microdosimetric quantities developed based on track-structure simulations was incorporated into the macroscopic particle transport simulation code PHITS (Particle and Heavy Ion Transport code System). The improved PHITS enables the PD in macroscopic matter to be calculated within a reasonable computation time, while taking their stochastic nature into account. The microdosimetric function of PHITS was applied to biological dose estimation for charged-particle therapy and risk estimation for astronauts. The former application was performed in combination with the microdosimetric kinetic model, while the latter employed the radiation quality factor expressed as a function of lineal energy. Owing to the unique features of the microdosimetric function, the improved PHITS has the potential to establish more sophisticated systems for radiological protection in space as well as for the treatment planning of charged-particle therapy.

RELATIVISTIC MHD SIMULATIONS OF COLLISION-INDUCED MAGNETIC DISSIPATION IN POYNTING-FLUX-DOMINATED JETS/OUTFLOWS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deng, Wei; Zhang, Bing; Li, Hui

We perform 3D relativistic ideal magnetohydrodynamics (MHD) simulations to study the collisions between high-σ (Poynting-flux-dominated (PFD)) blobs which contain both poloidal and toroidal magnetic field components. This is meant to mimic the interactions inside a highly variable PFD jet. We discover a significant electromagnetic field (EMF) energy dissipation with an Alfvénic rate with the efficiency around 35%. Detailed analyses show that this dissipation is mostly facilitated by the collision-induced magnetic reconnection. Additional resolution and parameter studies show a robust result that the relative EMF energy dissipation efficiency is nearly independent of the numerical resolution or most physical parameters in themore » relevant parameter range. The reconnection outflows in our simulation can potentially form the multi-orientation relativistic mini jets as needed for several analytical models. We also find a linear relationship between the σ values before and after the major EMF energy dissipation process. Our results give support to the proposed astrophysical models that invoke significant magnetic energy dissipation in PFD jets, such as the internal collision-induced magnetic reconnection and turbulence model for gamma-ray bursts, and reconnection triggered mini jets model for active galactic nuclei. The simulation movies are shown in http://www.physics.unlv.edu/∼deng/simulation1.html.« less

Properties of Decaying Plasma Turbulence at Subproton Scales

NASA Astrophysics Data System (ADS)

Olshevsky, Vyacheslav; Servidio, Sergio; Pucci, Francesco; Primavera, Leonardo; Lapenta, Giovanni

2018-06-01

We study the properties of plasma turbulence at subproton scales using kinetic electromagnetic three-dimensional simulations with nonidentical initial conditions. Particle-in-cell modeling of the Taylor–Green vortex has been performed, starting from three different magnetic field configurations. All simulations expose very similar energy evolution in which the large-scale ion flows and magnetic structures deteriorate and transfer their energy into particle heating. Heating is more intense for electrons, decreasing the initial temperature ratio and leading to temperature equipartition between the two species. A full turbulent cascade, with a well-defined power-law shape at subproton scales, is established within a characteristic turnover time. Spectral indices for magnetic field fluctuations in two simulations are close to α B ≈ 2.9, and are steeper in the remaining case with α B ≈ 3.05. Energy is dissipated by a complex mixture of plasma instabilities and magnetic reconnection and is milder in the latter simulation. The number of magnetic nulls, and the dissipation pattern observed in this case, differ from two others. Spectral indices for the kinetic energy deviate from magnetic spectra by ≈1 in the first simulation, and by ≈0.75 in two other runs. The difference between magnetic and electric slopes confirm the previously observed value of α B ‑ α E ≈ 2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yixing; Zhang, Jianshun; Pelken, Michael

Executive Summary The objective of this study was to develop a “Virtual Design Studio (VDS)”: a software platform for integrated, coordinated and optimized design of green building systems with low energy consumption, high indoor environmental quality (IEQ), and high level of sustainability. This VDS is intended to assist collaborating architects, engineers and project management team members throughout from the early phases to the detailed building design stages. It can be used to plan design tasks and workflow, and evaluate the potential impacts of various green building strategies on the building performance by using the state of the art simulation toolsmore » as well as industrial/professional standards and guidelines for green building system design. Engaged in the development of VDS was a multi-disciplinary research team that included architects, engineers, and software developers. Based on the review and analysis of how existing professional practices in building systems design operate, particularly those used in the U.S., Germany and UK, a generic process for performance-based building design, construction and operation was proposed. It distinguishes the whole process into five distinct stages: Assess, Define, Design, Apply, and Monitoring (ADDAM). The current VDS is focused on the first three stages. The VDS considers building design as a multi-dimensional process, involving multiple design teams, design factors, and design stages. The intersection among these three dimensions defines a specific design task in terms of “who”, “what” and “when”. It also considers building design as a multi-objective process that aims to enhance the five aspects of performance for green building systems: site sustainability, materials and resource efficiency, water utilization efficiency, energy efficiency and impacts to the atmospheric environment, and IEQ. The current VDS development has been limited to energy efficiency and IEQ performance, with particular focus on evaluating thermal performance, air quality and lighting environmental quality because of their strong interaction with the energy performance of buildings. The VDS software framework contains four major functions: 1) Design coordination: It enables users to define tasks using the Input-Process-Output flow approach, which specifies the anticipated activities (i.e., the process), required input and output information, and anticipated interactions with other tasks. It also allows task scheduling to define the work flow, and sharing of the design data and information via the internet. 2) Modeling and simulation: It enables users to perform building simulations to predict the energy consumption and IEQ conditions at any of the design stages by using EnergyPlus and a combined heat, air, moisture and pollutant simulation (CHAMPS) model. A method for co-simulation was developed to allow the use of both models at the same time step for the combined energy and indoor air quality analysis. 3) Results visualization: It enables users to display a 3-D geometric design of the building by reading BIM (building information model) file generated by design software such as SketchUp, and the predicted results of heat, air, moisture, pollutant and light distributions in the building. 4) Performance evaluation: It enables the users to compare the performance of a proposed building design against a reference building that is defined for the same type of buildings under the same climate condition, and predicts the percent of improvements over the minimum requirements specified in ASHRAE Standard 55-2010, 62.1-2010 and 90.1-2010. An approach was developed to estimate the potential impact of a design factor on the whole building performance, and hence can assist the user to identify areas that have most pay back for investment. The VDS software was developed by using C++ with the conventional Model, View and Control (MVC) software architecture. The software has been verified by using a simple 3-zone case building. The application of the VDS concepts and framework for building design and performance analysis has been illustrated by using a medium-sized, five story office building that received LEED Platinum Certification from USGBC.« less

Antimicrobial Peptide Simulations and the Influence of Force Field on the Free Energy for Pore Formation in Lipid Bilayers.

PubMed

Bennett, W F Drew; Hong, Chun Kit; Wang, Yi; Tieleman, D Peter

2016-09-13

Due to antimicrobial resistance, the development of new drugs to combat bacterial and fungal infections is an important area of research. Nature uses short, charged, and amphipathic peptides for antimicrobial defense, many of which disrupt the lipid membrane in addition to other possible targets inside the cell. Computer simulations have revealed atomistic details for the interactions of antimicrobial peptides and cell-penetrating peptides with lipid bilayers. Strong interactions between the polar interface and the charged peptides can induce bilayer deformations - including membrane rupture and peptide stabilization of a hydrophilic pore. Here, we performed microsecond-long simulations of the antimicrobial peptide CM15 in a POPC bilayer expecting to observe pore formation (based on previous molecular dynamics simulations). We show that caution is needed when interpreting results of equilibrium peptide-membrane simulations, given the length of time single trajectories can dwell in local energy minima for 100's of ns to microseconds. While we did record significant membrane perturbations from the CM15 peptide, pores were not observed. We explain this discrepancy by computing the free energy for pore formation with different force fields. Our results show a large difference in the free energy barrier (ca. 40 kJ/mol) against pore formation predicted by the different force fields that would result in orders of magnitude differences in the simulation time required to observe spontaneous pore formation. This explains why previous simulations using the Berger lipid parameters reported pores induced by charged peptides, while with CHARMM based models pores were not observed in our long time-scale simulations. We reconcile some of the differences in the distance dependent free energies by shifting the free energy profiles to account for thickness differences between force fields. The shifted curves show that all the models describe small defects in lipid bilayers in a consistent manner, suggesting a common physical basis.

Simulations of turbulent compressible flows using periodic boundary conditions: high fidelity on a budget

NASA Astrophysics Data System (ADS)

Beardsell, Guillaume; Blanquart, Guillaume

2017-11-01

In direct numerical simulations (DNS) of turbulent flows, it is often prohibitively expensive to simulate complete flow geometries. For example, to study turbulence-flame interactions, one cannot perform a DNS of a full combustor. Usually, a well-selected portion of the domain is chosen, in this particular case the region around the flame front. In this work, we perform a Reynolds decomposition of the velocity field and solve for the fluctuating part only. The resulting equations are the same as the original Navier-Stokes equations, except for turbulence-generating large scale features of the flow such as mean shear, which appear as forcing terms. This approach allows us to achieve high Reynolds numbers and sustained turbulence while keeping the computational cost reasonable. We have already applied this strategy to incompressible flows, but not to compressible ones, where special care has to be taken regarding the energy equation. Implementation of the resulting additional terms in the finite-difference code NGA is discussed and preliminary results are presented. In particular, we look at the budget of turbulent kinetic energy and internal energy. We are considering applying this technique to turbulent premixed flames.

Fuzzy Energy Management for a Catenary-Battery-Ultracapacitor based Hybrid Tramway

NASA Astrophysics Data System (ADS)

Jibin, Yang; Jiye, Zhang; Pengyun, Song

2017-05-01

In this paper, an energy management strategy (EMS) based on fuzzy logic control for a catenary-battery-ultracapacitor powered hybrid modern tramway was presented. The fuzzy logic controller for the catenary zone and catenary-less zone was respectively designed by analyzing the structure and working mode of the hybrid system, then an energy management strategy based on double fuzzy logic control was proposed to enhance the fuel economy. The hybrid modern tramway simulation model was developed based on MATLAB/Simulink environment. The simulation results show that the proposed EMS can satisfy the demand of dynamic performance of the tramway and achieve the power distribution reasonably between the each power source.