Analysis of exergy efficiency of a super-critical compressed carbon dioxide energy-storage system based on the orthogonal method

PubMed Central

He, Qing; Liu, Hui; Liu, Wenyi

2018-01-01

Super-critical carbon dioxide energy-storage (SC-CCES) technology is a new type of gas energy-storage technology. This paper used orthogonal method and variance analysis to make significant analysis on the factors which would affect the thermodynamics characteristics of the SC-CCES system and obtained the significant factors and interactions in the energy-storage process, the energy-release process and the whole energy-storage system. Results have shown that the interactions in the components have little influence on the energy-storage process, the energy-release process and the whole energy-storage process of the SC-CCES system, the significant factors are mainly on the characteristics of the system component itself, which will provide reference for the optimization of the thermal properties of the energy-storage system. PMID:29634742

Prediction-based manufacturing center self-adaptive demand side energy optimization in cyber physical systems

NASA Astrophysics Data System (ADS)

Sun, Xinyao; Wang, Xue; Wu, Jiangwei; Liu, Youda

2014-05-01

Cyber physical systems(CPS) recently emerge as a new technology which can provide promising approaches to demand side management(DSM), an important capability in industrial power systems. Meanwhile, the manufacturing center is a typical industrial power subsystem with dozens of high energy consumption devices which have complex physical dynamics. DSM, integrated with CPS, is an effective methodology for solving energy optimization problems in manufacturing center. This paper presents a prediction-based manufacturing center self-adaptive energy optimization method for demand side management in cyber physical systems. To gain prior knowledge of DSM operating results, a sparse Bayesian learning based componential forecasting method is introduced to predict 24-hour electric load levels for specific industrial areas in China. From this data, a pricing strategy is designed based on short-term load forecasting results. To minimize total energy costs while guaranteeing manufacturing center service quality, an adaptive demand side energy optimization algorithm is presented. The proposed scheme is tested in a machining center energy optimization experiment. An AMI sensing system is then used to measure the demand side energy consumption of the manufacturing center. Based on the data collected from the sensing system, the load prediction-based energy optimization scheme is implemented. By employing both the PSO and the CPSO method, the problem of DSM in the manufacturing center is solved. The results of the experiment show the self-adaptive CPSO energy optimization method enhances optimization by 5% compared with the traditional PSO optimization method.

Review of Comprehensive Evaluation Methods for Power Quality and Its Trend in New Generation Energy System

NASA Astrophysics Data System (ADS)

Liu, Ruihua; Wang, Rong; Liu, Qunying; Yang, Li; Xi, Chuan; Wang, Wei; Li, Lingzhou; Zhao, Zhoufang; Zhou, Ying

2018-02-01

With China’s new energy generation grid connected capacity being in the forefront of the world and the uncertainty of new energy sources, such as wind energy and solar energy, it is be of great significance to study scientific and comprehensive assessment of power quality. On the foundation of analysizing the current power quality index systematically and objectively, the new energy grid power quality analysis method and comprehensive evaluation method, this paper tentatively explored the trend of the new generation of energy system power quality comprehensive evaluation.

Energy Harvesting Systems and Methods of Assembling Same

NASA Technical Reports Server (NTRS)

Cepeda-Rizo, Juan (Inventor); Ganapathi, Gani B. (Inventor)

2013-01-01

A method of assembling an energy harvesting system is provided. The method includes coupling at least one energy storage device in flow communication with at least one apparatus that is configured to generate thermal energy and to transfer the thermal energy into at least one fluid stream. The energy storage device is configured to store the fluid stream. Moreover, the method includes coupling at least one fluid transfer device downstream from the energy storage device. The fluid transfer device receives the fluid stream from the energy storage device. A bladeless turbine is coupled in flow communication with the fluid transfer device, wherein the bladeless turbine receives the fluid stream to generate power.

Systems and methods for controlling energy use in a building management system using energy budgets

DOEpatents

Wenzel, Michael J; Drees, Kirk H

2014-09-23

Systems and methods for limiting power consumption by a heating, ventilation, and air conditioning (HVAC) subsystem of a building are shown and described. A feedback controller is used to generate a manipulated variable based on an energy use setpoint and a measured energy use. The manipulated variable may be used for adjusting the operation of an HVAC device.

Dynamic Exergy Method for Evaluating the Control and Operation of Oxy-Combustion Boiler Island Systems.

PubMed

Jin, Bo; Zhao, Haibo; Zheng, Chuguang; Liang, Zhiwu

2017-01-03

Exergy-based methods are widely applied to assess the performance of energy conversion systems; however, these methods mainly focus on a certain steady-state and have limited applications for evaluating the control impacts on system operation. To dynamically obtain the thermodynamic behavior and reveal the influences of control structures, layers and loops, on system energy performance, a dynamic exergy method is developed, improved, and applied to a complex oxy-combustion boiler island system for the first time. The three most common operating scenarios are studied, and the results show that the flow rate change process leads to less energy consumption than oxygen purity and air in-leakage change processes. The variation of oxygen purity produces the largest impact on system operation, and the operating parameter sensitivity is not affected by the presence of process control. The control system saves energy during flow rate and oxygen purity change processes, while it consumes energy during the air in-leakage change process. More attention should be paid to the oxygen purity change because it requires the largest control cost. In the control system, the supervisory control layer requires the greatest energy consumption and the largest control cost to maintain operating targets, while the steam control loops cause the main energy consumption.

Electromagnetic-gravitational energy systems

NASA Technical Reports Server (NTRS)

Schatten, K. H.

1981-01-01

Two methods are considered to 'tap' the earth's rotational energy. This ancient 'collapsed gravitational energy' exceeds the earth-lunar binding energy. One involves an orbiting 'electromagnetic-gravitational' coupling system whereby the earth's rotation, with its nonuniform mass distribution, first uses gravity to add orbital energy to a satellite, similar to a planetary 'flyby'. The second stage involves enhanced satellite 'drag' as current-carrying coils withdraw the added orbital energy as they pass through the earth's nonuniform magnetic field. A second more direct method couples the earth's rotational motion using conducting wires moving through the noncorotating part (ionospheric current systems) of the geomagnetic field. These methods, although not immediately feasible, are considerably more efficient than using pure gravitational coupling to earth-moon tides.

Energy harvesting from sea waves with consideration of airy and JONSWAP theory and optimization of energy harvester parameters

NASA Astrophysics Data System (ADS)

Mirab, Hadi; Fathi, Reza; Jahangiri, Vahid; Ettefagh, Mir Mohammad; Hassannejad, Reza

2015-12-01

One of the new methods for powering low-power electronic devices at sea is a wave energy harvesting system. In this method, piezoelectric material is employed to convert the mechanical energy of sea waves into electrical energy. The advantage of this method is based on avoiding a battery charging system. Studies have been done on energy harvesting from sea waves, however, considering energy harvesting with random JONSWAP wave theory, then determining the optimum values of energy harvested is new. This paper does that by implementing the JONSWAP wave model, calculating produced power, and realistically showing that output power is decreased in comparison with the more simple airy wave model. In addition, parameters of the energy harvester system are optimized using a simulated annealing algorithm, yielding increased produced power.

Methods for associating or dissociating guest materials with a metal organic framework, systems for associating or dissociating guest materials within a series of metal organic frameworks, thermal energy transfer assemblies, and methods for transferring thermal energy

DOEpatents

McGrail, B. Peter; Brown, Daryl R.; Thallapally, Praveen K.

2016-08-02

Methods for releasing associated guest materials from a metal organic framework are provided. Methods for associating guest materials with a metal organic framework are also provided. Methods are provided for selectively associating or dissociating guest materials with a metal organic framework. Systems for associating or dissociating guest materials within a series of metal organic frameworks are provided. Thermal energy transfer assemblies are provided. Methods for transferring thermal energy are also provided.

Methods for associating or dissociating guest materials with a metal organic framework, systems for associating or dissociating guest materials within a series of metal organic frameworks, thermal energy transfer assemblies, and methods for transferring thermal energy

DOEpatents

McGrail, B. Peter; Brown, Daryl R.; Thallapally, Praveen K.

2014-08-05

Methods for releasing associated guest materials from a metal organic framework are provided. Methods for associating guest materials with a metal organic framework are also provided. Methods are provided for selectively associating or dissociating guest materials with a metal organic framework. Systems for associating or dissociating guest materials within a series of metal organic frameworks are provided. Thermal energy transfer assemblies are provided. Methods for transferring thermal energy are also provided.

Method and apparatus for delivering high power laser energy over long distances

DOEpatents

Zediker, Mark S; Rinzler, Charles C; Faircloth, Brian O; Koblick, Yeshaya; Moxley, Joel F

2015-04-07

Systems, devices and methods for the transmission and delivery of high power laser energy deep into the earth and for the suppression of associated nonlinear phenomena. Systems, devices and methods for the laser drilling of a borehole in the earth. These systems can deliver high power laser energy down a deep borehole, while maintaining the high power to advance such boreholes deep into the earth and at highly efficient advancement rates.

Methods of Comprehensive Assessment for China’s Energy Sustainability

NASA Astrophysics Data System (ADS)

Xu, Zhijin; Song, Yankui

2018-02-01

In order to assess the sustainable development of China’s energy objectively and accurately, we need to establish a reasonable indicator system for energy sustainability and make a targeted comprehensive assessment with the scientific methods. This paper constructs a comprehensive indicator system for energy sustainability from five aspects of economy, society, environment, energy resources and energy technology based on the theory of sustainable development and the theory of symbiosis. On this basis, it establishes and discusses the assessment models and the general assessment methods for energy sustainability with the help of fuzzy mathematics. It is of some reference for promoting the sustainable development of China’s energy, economy and society.

Method and apparatus for delivering high power laser energy over long distances

DOEpatents

Zediker, Mark S; Rinzler, Charles C; Faircloth, Brian O; Koblick, Yeshaya; Moxley, Joel F

2013-08-20

Systems, devices and methods for the transmission of 1 kW or more of laser energy deep into the earth and for the suppression of associated nonlinear phenomena. Systems, devices and methods for the laser drilling of a borehole in the earth. These systems can deliver high power laser energy down a deep borehole, while maintaining the high power to advance such boreholes deep into the earth and at highly efficient advancement rates.

Performance modeling and valuation of snow-covered PV systems: examination of a simplified approach to decrease forecasting error.

PubMed

Bosman, Lisa B; Darling, Seth B

2018-06-01

The advent of modern solar energy technologies can improve the costs of energy consumption on a global, national, and regional level, ultimately spanning stakeholders from governmental entities to utility companies, corporations, and residential homeowners. For those stakeholders experiencing the four seasons, accurately accounting for snow-related energy losses is important for effectively predicting photovoltaic performance energy generation and valuation. This paper provides an examination of a new, simplified approach to decrease snow-related forecasting error, in comparison to current solar energy performance models. A new method is proposed to allow model designers, and ultimately users, the opportunity to better understand the return on investment for solar energy systems located in snowy environments. The new method is validated using two different sets of solar energy systems located near Green Bay, WI, USA: a 3.0-kW micro inverter system and a 13.2-kW central inverter system. Both systems were unobstructed, facing south, and set at a tilt of 26.56°. Data were collected beginning in May 2014 (micro inverter system) and October 2014 (central inverter system), through January 2018. In comparison to reference industry standard solar energy prediction applications (PVWatts and PVsyst), the new method results in lower mean absolute percent errors per kilowatt hour of 0.039 and 0.055%, respectively, for the micro inverter system and central inverter system. The statistical analysis provides support for incorporating this new method into freely available, online, up-to-date prediction applications, such as PVWatts and PVsyst.

Optoelectronic scanning system upgrade by energy center localization methods

NASA Astrophysics Data System (ADS)

Flores-Fuentes, W.; Sergiyenko, O.; Rodriguez-Quiñonez, J. C.; Rivas-López, M.; Hernández-Balbuena, D.; Básaca-Preciado, L. C.; Lindner, L.; González-Navarro, F. F.

2016-11-01

A problem of upgrading an optoelectronic scanning system with digital post-processing of the signal based on adequate methods of energy center localization is considered. An improved dynamic triangulation analysis technique is proposed by an example of industrial infrastructure damage detection. A modification of our previously published method aimed at searching for the energy center of an optoelectronic signal is described. Application of the artificial intelligence algorithm of compensation for the error of determining the angular coordinate in calculating the spatial coordinate through dynamic triangulation is demonstrated. Five energy center localization methods are developed and tested to select the best method. After implementation of these methods, digital compensation for the measurement error, and statistical data analysis, a non-parametric behavior of the data is identified. The Wilcoxon signed rank test is applied to improve the result further. For optical scanning systems, it is necessary to detect a light emitter mounted on the infrastructure being investigated to calculate its spatial coordinate by the energy center localization method.

A Method for Direct-Measurement of the Energy of Rupture of Impact Specimens

DTIC Science & Technology

1953-01-01

CONTENTS SECTION A - Poreword SFCTION B » ObjectiTes of the Current Investigation SECTION C - Basic Elements of an Impact Testing System ...SECTION D - Discussion lo Linear System 2 c Rotary System 3o Methods for Ifeasui ing the Energy of Rupture SECTION E « The Energy Measuring System ...has followed and to siironarize our techni<»l findings, Co BASIC ELEKEMTS OF AN IMPACT TESTING SYSTEM For the analytical purposes of this

On the enhanced sampling over energy barriers in molecular dynamics simulations.

PubMed

Gao, Yi Qin; Yang, Lijiang

2006-09-21

We present here calculations of free energies of multidimensional systems using an efficient sampling method. The method uses a transformed potential energy surface, which allows an efficient sampling of both low and high energy spaces and accelerates transitions over barriers. It allows efficient sampling of the configuration space over and only over the desired energy range(s). It does not require predetermined or selected reaction coordinate(s). We apply this method to study the dynamics of slow barrier crossing processes in a disaccharide and a dipeptide system.

COMPARE : a method for analyzing investment alternatives in industrial wood and bark energy systems

Treesearch

Peter J. Ince

1983-01-01

COMPARE is a FORTRAN computer program resulting from a study to develop methods for comparative economic analysis of alternatives in industrial wood and bark energy systems. COMPARE provides complete guidelines for economic analysis of wood and bark energy systems. As such, COMPARE can be useful to those who have only basic familiarity with investment analysis of wood...

Radiography simulation on single-shot dual-spectrum X-ray for cargo inspection system.

PubMed

Gil, Youngmi; Oh, Youngdo; Cho, Moohyun; Namkung, Won

2011-02-01

We propose a method to identify materials in the dual energy X-ray (DeX) inspection system. This method identifies materials by combining information on the relative proportions T of high-energy and low-energy X-rays transmitted through the material, and the ratio R of the attenuation coefficient of the material when high-energy are used to that when low energy X-rays are used. In Monte Carlo N-Particle Transport Code (MCNPX) simulations using the same geometry as that of the real container inspection system, this T vs. R method successfully identified tissue-equivalent plastic and several metals. In further simulations, the single-shot mode of operating the accelerator led to better distinguishing of materials than the dual-shot system. Copyright © 2010 Elsevier Ltd. All rights reserved.

Power control system and method

DOEpatents

Steigerwald, Robert Louis [Burnt Hills, NY; Anderson, Todd Alan [Niskayuna, NY

2008-02-19

A power system includes an energy harvesting device, a battery coupled to the energy harvesting device, and a circuit coupled to the energy harvesting device and the battery. The circuit is adapted to deliver power to a load by providing power generated by the energy harvesting device to the load without delivering excess power to the battery and to supplement the power generated by the energy harvesting device with power from the battery if the power generated by the energy harvesting device is insufficient to fully power the load. A method of operating the power system is also provided.

Power control system and method

DOEpatents

Steigerwald, Robert Louis; Anderson, Todd Alan

2006-11-07

A power system includes an energy harvesting device, a battery coupled to the energy harvesting device, and a circuit coupled to the energy harvesting device and the battery. The circuit is adapted to deliver power to a load by providing power generated by the energy harvesting device to the load without delivering excess power to the battery and to supplement the power generated by the energy harvesting device with power from the battery if the power generated by the energy harvesting device is insufficient to fully power the load. A method of operating the power system is also provided.

Analysis of the solar/wind resources in Southern Spain for optimal sizing of hybrid solar-wind power generation systems

NASA Astrophysics Data System (ADS)

Quesada-Ruiz, S.; Pozo-Vazquez, D.; Santos-Alamillos, F. J.; Lara-Fanego, V.; Ruiz-Arias, J. A.; Tovar-Pescador, J.

2010-09-01

A drawback common to the solar and wind energy systems is their unpredictable nature and dependence on weather and climate on a wide range of time scales. In addition, the variation of the energy output may not match with the time distribution of the load demand. This can partially be solved by the use of batteries for energy storage in stand-alone systems. The problem caused by the variable nature of the solar and wind resources can be partially overcome by the use of energy systems that uses both renewable resources in a combined manner, that is, hybrid wind-solar systems. Since both resources can show complementary characteristics in certain location, the independent use of solar or wind systems results in considerable over sizing of the batteries system compared to the use of hybrid solar-wind systems. Nevertheless, to the day, there is no single recognized method for properly sizing these hybrid wind-solar systems. In this work, we present a method for sizing wind-solar hybrid systems in southern Spain. The method is based on the analysis of the wind and solar resources on daily scale, particularly, its temporal complementary characteristics. The method aims to minimize the size of the energy storage systems, trying to provide the most reliable supply.

Systems and methods for initializing a charging system

DOEpatents

Ransom, Ray M.; Perisic, Milun; Kajouke, Lateef A.

2014-09-09

Systems and methods are provided for initiating a charging system. The method, for example, may include, but is not limited to, providing, by the charging system, an incrementally increasing voltage to a battery up to a first predetermined threshold while the energy conversion module has a zero-percent duty cycle, providing, by the charging system, an incrementally increasing voltage to the battery from an initial voltage level of the battery up to a peak voltage of a voltage source while the energy conversion module has a zero-percent duty cycle, and providing, by the charging system, an incrementally increasing voltage to the battery by incrementally increasing the duty cycle of the energy conversion module.

A multi-harmonic generalized energy balance method for studying autonomous oscillations of nonlinear conservative systems

NASA Astrophysics Data System (ADS)

Balaji, Nidish Narayanaa; Krishna, I. R. Praveen; Padmanabhan, C.

2018-05-01

The Harmonic Balance Method (HBM) is a frequency-domain based approximation approach used for obtaining the steady state periodic behavior of forced dynamical systems. Intrinsically these systems are non-autonomous and the method offers many computational advantages over time-domain methods when the fundamental period of oscillation is known (generally fixed as the forcing period itself or a corresponding sub-harmonic if such behavior is expected). In the current study, a modified approach, based on He's Energy Balance Method (EBM), is applied to obtain the periodic solutions of conservative systems. It is shown that by this approach, periodic solutions of conservative systems on iso-energy manifolds in the phase space can be obtained very efficiently. The energy level provides the additional constraint on the HBM formulation, which enables the determination of the period of the solutions. The method is applied to the linear harmonic oscillator, a couple of nonlinear oscillators, the elastic pendulum and the Henon-Heiles system. The approach is used to trace the bifurcations of the periodic solutions of the last two, being 2 degree-of-freedom systems demonstrating very rich dynamical behavior. In the process, the advantages offered by the current formulation of the energy balance is brought out. A harmonic perturbation approach is used to evaluate the stability of the solutions for the bifurcation diagram.

Harmonic Fourier beads method for studying rare events on rugged energy surfaces.

PubMed

Khavrutskii, Ilja V; Arora, Karunesh; Brooks, Charles L

2006-11-07

We present a robust, distributable method for computing minimum free energy paths of large molecular systems with rugged energy landscapes. The method, which we call harmonic Fourier beads (HFB), exploits the Fourier representation of a path in an appropriate coordinate space and proceeds iteratively by evolving a discrete set of harmonically restrained path points-beads-to generate positions for the next path. The HFB method does not require explicit knowledge of the free energy to locate the path. To compute the free energy profile along the final path we employ an umbrella sampling method in two generalized dimensions. The proposed HFB method is anticipated to aid the study of rare events in biomolecular systems. Its utility is demonstrated with an application to conformational isomerization of the alanine dipeptide in gas phase.

Epistemic uncertainty propagation in energy flows between structural vibrating systems

NASA Astrophysics Data System (ADS)

Xu, Menghui; Du, Xiaoping; Qiu, Zhiping; Wang, Chong

2016-03-01

A dimension-wise method for predicting fuzzy energy flows between structural vibrating systems coupled by joints with epistemic uncertainties is established. Based on its Legendre polynomial approximation at α=0, both the minimum and maximum point vectors of the energy flow of interest are calculated dimension by dimension within the space spanned by the interval parameters determined by fuzzy those at α=0 and the resulted interval bounds are used to assemble the concerned fuzzy energy flows. Besides the proposed method, vertex method as well as two current methods is also applied. Comparisons among results by different methods are accomplished by two numerical examples and the accuracy of all methods is simultaneously verified by Monte Carlo simulation.

An Efficient Method to Evaluate Intermolecular Interaction Energies in Large Systems Using Overlapping Multicenter ONIOM and the Fragment Molecular Orbital Method

PubMed Central

Asada, Naoya; Fedorov, Dmitri G.; Kitaura, Kazuo; Nakanishi, Isao; Merz, Kenneth M.

2012-01-01

We propose an approach based on the overlapping multicenter ONIOM to evaluate intermolecular interaction energies in large systems and demonstrate its accuracy on several representative systems in the complete basis set limit at the MP2 and CCSD(T) level of theory. In the application to the intermolecular interaction energy between insulin dimer and 4′-hydroxyacetanilide at the MP2/CBS level, we use the fragment molecular orbital method for the calculation of the entire complex assigned to the lowest layer in three-layer ONIOM. The developed method is shown to be efficient and accurate in the evaluation of the protein-ligand interaction energies. PMID:23050059

Efficient energy stable schemes for isotropic and strongly anisotropic Cahn-Hilliard systems with the Willmore regularization

NASA Astrophysics Data System (ADS)

Chen, Ying; Lowengrub, John; Shen, Jie; Wang, Cheng; Wise, Steven

2018-07-01

We develop efficient energy stable numerical methods for solving isotropic and strongly anisotropic Cahn-Hilliard systems with the Willmore regularization. The scheme, which involves adaptive mesh refinement and a nonlinear multigrid finite difference method, is constructed based on a convex splitting approach. We prove that, for the isotropic Cahn-Hilliard system with the Willmore regularization, the total free energy of the system is non-increasing for any time step and mesh sizes. A straightforward modification of the scheme is then used to solve the regularized strongly anisotropic Cahn-Hilliard system, and it is numerically verified that the discrete energy of the anisotropic system is also non-increasing, and can be efficiently solved by using the modified stable method. We present numerical results in both two and three dimensions that are in good agreement with those in earlier work on the topics. Numerical simulations are presented to demonstrate the accuracy and efficiency of the proposed methods.

A Method of Data Aggregation for Wearable Sensor Systems

PubMed Central

Shen, Bo; Fu, Jun-Song

2016-01-01

Data aggregation has been considered as an effective way to decrease the data to be transferred in sensor networks. Particularly for wearable sensor systems, smaller battery has less energy, which makes energy conservation in data transmission more important. Nevertheless, wearable sensor systems usually have features like frequently dynamic changes of topologies and data over a large range, of which current aggregating methods can’t adapt to the demand. In this paper, we study the system composed of many wearable devices with sensors, such as the network of a tactical unit, and introduce an energy consumption-balanced method of data aggregation, named LDA-RT. In the proposed method, we develop a query algorithm based on the idea of ‘happened-before’ to construct a dynamic and energy-balancing routing tree. We also present a distributed data aggregating and sorting algorithm to execute top-k query and decrease the data that must be transferred among wearable devices. Combining these algorithms, LDA-RT tries to balance the energy consumptions for prolonging the lifetime of wearable sensor systems. Results of evaluation indicate that LDA-RT performs well in constructing routing trees and energy balances. It also outperforms the filter-based top-k monitoring approach in energy consumption, load balance, and the network’s lifetime, especially for highly dynamic data sources. PMID:27347953

Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems

DOEpatents

Tuffner, Francis K [Richland, WA; Kintner-Meyer, Michael C. W. [Richland, WA; Hammerstrom, Donald J [West Richland, WA; Pratt, Richard M [Richland, WA

2012-05-22

Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems. According to one aspect, a battery charging control method includes accessing information regarding a presence of at least one of a surplus and a deficiency of electrical energy upon an electrical power distribution system at a plurality of different moments in time, and using the information, controlling an adjustment of an amount of the electrical energy provided from the electrical power distribution system to a rechargeable battery to charge the rechargeable battery.

Methods of Conserving Heating Energy Utilized in Thirty-One Public School Systems.

ERIC Educational Resources Information Center

Davis, Kathy Eggers

The Memphis City School System was notified by Memphis Light, Gas, and Water that it was necessary to reduce its consumption of natural gas during the winter of 1975-76. A survey was developed and sent to 44 large public school systems to determine which methods of heating energy conservation were used most frequently and which methods were most…

A Comprehensive System of Energy Intensity Indicators for the U.S.: Methods, Data and Key Trends

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

Belzer, David B.

2014-08-31

This report describes a comprehensive system of energy intensity indicators for the United States that has been developed for the Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) over the past decade. This system of indicators is hierarchical in nature, beginning with detailed indexes of energy intensity for various sectors of the economy, which are ultimately aggregated to an overall energy intensity index for the economy as a whole. The aggregation of energy intensity indexes to higher levels in the hierarchy is performed with a version of the Log Mean Divisia Index (LMDI) method. Based upon themore » data and methods in the system of indicators, the economy-wide energy intensity index shows a decline of about 14% in 2010 relative to a 1985 base year. Discussion of energy intensity indicators for each of the broad end-use sectors of the economy—residential, commercial, industrial, and transportation—is presented in the report. An analysis of recent changes in the efficiency of electricity generation in the U.S. is also included. A detailed appendix describes the data sources and methodology behind the energy intensity indicators for each sector.« less

Analysis methods for polarization state and energy transmission of rays propagating in optical systems

NASA Astrophysics Data System (ADS)

Liu, Chao; Liu, Qiangsheng; Cen, Zhaofeng; Li, Xiaotong

2010-11-01

Polarization state of only completely polarized light can be analyzed by some software, ZEMAX for example. Based on principles of geometrical optics, novel descriptions of the light with different polarization state are provided in this paper. Differential calculus is well used for saving the polarization state and amplitudes of sampling rays when ray tracing. The polarization state changes are analyzed in terms of several typical circumstances, such as Brewster incidence, total reflection. Natural light and partially polarized light are discussed as an important aspect. Further more, a computing method including composition and decomposition of sampling rays at each surface is also set up to analyze the energy transmission of the rays for optical systems. Adopting these analysis methods mentioned, not only the polarization state changes of the incident rays can be obtained, but also the energy distributions can be calculated. Since the energy distributions are obtained, the surface with the most energy loss will be found in the optical system. The energy value and polarization state of light reaching the image surface will also be available. These analysis methods are very helpful for designing or analyzing optical systems, such as analyzing the energy of stray light in high power optical systems, researching the influences of optical surfaces to rays' polarization state in polarization imaging systems and so on.

Energy Management and Optimization Methods for Grid Energy Storage Systems

DOE PAGES

Byrne, Raymond H.; Nguyen, Tu A.; Copp, David A.; ...

2017-08-24

Today, the stability of the electric power grid is maintained through real time balancing of generation and demand. Grid scale energy storage systems are increasingly being deployed to provide grid operators the flexibility needed to maintain this balance. Energy storage also imparts resiliency and robustness to the grid infrastructure. Over the last few years, there has been a significant increase in the deployment of large scale energy storage systems. This growth has been driven by improvements in the cost and performance of energy storage technologies and the need to accommodate distributed generation, as well as incentives and government mandates. Energymore » management systems (EMSs) and optimization methods are required to effectively and safely utilize energy storage as a flexible grid asset that can provide multiple grid services. The EMS needs to be able to accommodate a variety of use cases and regulatory environments. In this paper, we provide a brief history of grid-scale energy storage, an overview of EMS architectures, and a summary of the leading applications for storage. These serve as a foundation for a discussion of EMS optimization methods and design.« less

Energy Management and Optimization Methods for Grid Energy Storage Systems

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

Byrne, Raymond H.; Nguyen, Tu A.; Copp, David A.

Today, the stability of the electric power grid is maintained through real time balancing of generation and demand. Grid scale energy storage systems are increasingly being deployed to provide grid operators the flexibility needed to maintain this balance. Energy storage also imparts resiliency and robustness to the grid infrastructure. Over the last few years, there has been a significant increase in the deployment of large scale energy storage systems. This growth has been driven by improvements in the cost and performance of energy storage technologies and the need to accommodate distributed generation, as well as incentives and government mandates. Energymore » management systems (EMSs) and optimization methods are required to effectively and safely utilize energy storage as a flexible grid asset that can provide multiple grid services. The EMS needs to be able to accommodate a variety of use cases and regulatory environments. In this paper, we provide a brief history of grid-scale energy storage, an overview of EMS architectures, and a summary of the leading applications for storage. These serve as a foundation for a discussion of EMS optimization methods and design.« less

Computational scheme for pH-dependent binding free energy calculation with explicit solvent.

PubMed

Lee, Juyong; Miller, Benjamin T; Brooks, Bernard R

2016-01-01

We present a computational scheme to compute the pH-dependence of binding free energy with explicit solvent. Despite the importance of pH, the effect of pH has been generally neglected in binding free energy calculations because of a lack of accurate methods to model it. To address this limitation, we use a constant-pH methodology to obtain a true ensemble of multiple protonation states of a titratable system at a given pH and analyze the ensemble using the Bennett acceptance ratio (BAR) method. The constant pH method is based on the combination of enveloping distribution sampling (EDS) with the Hamiltonian replica exchange method (HREM), which yields an accurate semi-grand canonical ensemble of a titratable system. By considering the free energy change of constraining multiple protonation states to a single state or releasing a single protonation state to multiple states, the pH dependent binding free energy profile can be obtained. We perform benchmark simulations of a host-guest system: cucurbit[7]uril (CB[7]) and benzimidazole (BZ). BZ experiences a large pKa shift upon complex formation. The pH-dependent binding free energy profiles of the benchmark system are obtained with three different long-range interaction calculation schemes: a cutoff, the particle mesh Ewald (PME), and the isotropic periodic sum (IPS) method. Our scheme captures the pH-dependent behavior of binding free energy successfully. Absolute binding free energy values obtained with the PME and IPS methods are consistent, while cutoff method results are off by 2 kcal mol(-1) . We also discuss the characteristics of three long-range interaction calculation methods for constant-pH simulations. © 2015 The Protein Society.

Optimal Sampling of a Reaction Coordinate in Molecular Dynamics

NASA Technical Reports Server (NTRS)

Pohorille, Andrew

2005-01-01

Estimating how free energy changes with the state of a system is a central goal in applications of statistical mechanics to problems of chemical or biological interest. From these free energy changes it is possible, for example, to establish which states of the system are stable, what are their probabilities and how the equilibria between these states are influenced by external conditions. Free energies are also of great utility in determining kinetics of transitions between different states. A variety of methods have been developed to compute free energies of condensed phase systems. Here, I will focus on one class of methods - those that allow for calculating free energy changes along one or several generalized coordinates in the system, often called reaction coordinates or order parameters . Considering that in almost all cases of practical interest a significant computational effort is required to determine free energy changes along such coordinates it is hardly surprising that efficiencies of different methods are of great concern. In most cases, the main difficulty is associated with its shape along the reaction coordinate. If the free energy changes markedly along this coordinate Boltzmann sampling of its different values becomes highly non-uniform. This, in turn, may have considerable, detrimental effect on the performance of many methods for calculating free energies.

Electrochemical thermodynamic measurement system

DOEpatents

Reynier, Yvan [Meylan, FR; Yazami, Rachid [Los Angeles, CA; Fultz, Brent T [Pasadena, CA

2009-09-29

The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

Analysis methods for wind turbine control and electrical system dynamics

NASA Technical Reports Server (NTRS)

Hinrichsen, E. N.

1995-01-01

The integration of new energy technologies into electric power systems requires methods which recognize the full range of dynamic events in both the new generating unit and the power system. Since new energy technologies are initially perceived as small contributors to large systems, little attention is generally paid to system integration, i.e. dynamic events in the power system are ignored. As a result, most new energy sources are only capable of base-load operation, i.e. they have no load following or cycling capability. Wind turbines are no exception. Greater awareness of this implicit (and often unnecessary) limitation is needed. Analysis methods are recommended which include very low penetration (infinite bus) as well as very high penetration (stand-alone) scenarios.

Comparison of Direct Solar Energy to Resistance Heating for Carbothermal Reduction of Regolith

NASA Technical Reports Server (NTRS)

Muscatello, Anthony C.; Gustafson, Robert J.

2011-01-01

A comparison of two methods of delivering thermal energy to regolith for the carbo thermal reduction process has been performed. The comparison concludes that electrical resistance heating is superior to direct solar energy via solar concentrators for the following reasons: (1) the resistance heating method can process approximately 12 times as much regolith using the same amount of thermal energy as the direct solar energy method because of superior thermal insulation; (2) the resistance heating method is more adaptable to nearer-term robotic exploration precursor missions because it does not require a solar concentrator system; (3) crucible-based methods are more easily adapted to separation of iron metal and glass by-products than direct solar energy because the melt can be poured directly after processing instead of being remelted; and (4) even with projected improvements in the mass of solar concentrators, projected photovoltaic system masses are expected to be even lower.

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

None, None

To meet the U.S. Navy's energy goals, the National Renewable Energy Laboratory (NREL) and the Naval Facilities Engineering Command (NAVFAC) spent two years collaborating on demonstrations that tested market-ready energy efficiency measures, renewable energy generation, and energy systems integration. One such technology - an energy management system - was identified as a promising method for reducing energy use and costs, and can contribute to increasing energy security.

Accurate electronic and chemical properties of 3d transition metal oxides using a calculated linear response U and a DFT + U(V) method.

PubMed

Xu, Zhongnan; Joshi, Yogesh V; Raman, Sumathy; Kitchin, John R

2015-04-14

We validate the usage of the calculated, linear response Hubbard U for evaluating accurate electronic and chemical properties of bulk 3d transition metal oxides. We find calculated values of U lead to improved band gaps. For the evaluation of accurate reaction energies, we first identify and eliminate contributions to the reaction energies of bulk systems due only to changes in U and construct a thermodynamic cycle that references the total energies of unique U systems to a common point using a DFT + U(V) method, which we recast from a recently introduced DFT + U(R) method for molecular systems. We then introduce a semi-empirical method based on weighted DFT/DFT + U cohesive energies to calculate bulk oxidation energies of transition metal oxides using density functional theory and linear response calculated U values. We validate this method by calculating 14 reactions energies involving V, Cr, Mn, Fe, and Co oxides. We find up to an 85% reduction of the mean average error (MAE) compared to energies calculated with the Perdew-Burke-Ernzerhof functional. When our method is compared with DFT + U with empirically derived U values and the HSE06 hybrid functional, we find up to 65% and 39% reductions in the MAE, respectively.

Analysis and comparison of methods for the preparation of domestic hot water from district heating system, selected renewable and non-renewable sources in low-energy buildings

NASA Astrophysics Data System (ADS)

Knapik, Maciej

2018-02-01

The article presents an economic analysis and comparison of selected (district heating, natural gas, heat pump with renewable energy sources) methods for the preparation of domestic hot water in a building with low energy demand. In buildings of this type increased demand of energy for domestic hot water preparation in relation to the total energy demand can be observed. As a result, the proposed solutions allow to further lower energy demand by using the renewable energy sources. This article presents the results of numerical analysis and calculations performed mainly in MATLAB software, based on typical meteorological years. The results showed that system with heat pump and renewable energy sources Is comparable with district heating system.

Energy Information Systems

Science.gov Websites

Energy Analytics Campaign > 2014-2018 Assessment of Automated M&V Methods > 2012-2018 Better Assessment of automated measurement and verification methods. Granderson, J. et al. Lawrence Berkeley . PDF, 726 KB Performance Metrics and Objective Testing Methods for Energy Baseline Modeling Software

High energy density propulsion systems and small engine dynamometer

NASA Astrophysics Data System (ADS)

Hays, Thomas

2009-07-01

Scope and Method of Study. This study investigates all possible methods of powering small unmanned vehicles, provides reasoning for the propulsion system down select, and covers in detail the design and production of a dynamometer to confirm theoretical energy density calculations for small engines. Initial energy density calculations are based upon manufacturer data, pressure vessel theory, and ideal thermodynamic cycle efficiencies. Engine tests are conducted with a braking type dynamometer for constant load energy density tests, and show true energy densities in excess of 1400 WH/lb of fuel. Findings and Conclusions. Theory predicts lithium polymer, the present unmanned system energy storage device of choice, to have much lower energy densities than other conversion energy sources. Small engines designed for efficiency, instead of maximum power, would provide the most advantageous method for powering small unmanned vehicles because these engines have widely variable power output, loss of mass during flight, and generate rotational power directly. Theoretical predictions for the energy density of small engines has been verified through testing. Tested values up to 1400 WH/lb can be seen under proper operating conditions. The implementation of such a high energy density system will require a significant amount of follow-on design work to enable the engines to tolerate the higher temperatures of lean operation. Suggestions are proposed to enable a reliable, small-engine propulsion system in future work. Performance calculations show that a mature system is capable of month long flight times, and unrefueled circumnavigation of the globe.

Devices, systems, and methods for harvesting energy and methods for forming such devices

DOEpatents

Kotter, Dale K.; Novack, Steven D.

2012-12-25

Energy harvesting devices include a substrate coupled with a photovoltaic material and a plurality of resonance elements associated with the substrate. The resonance elements are configured to collect energy in at least visible and infrared light spectra. Each resonance element is capacitively coupled with the photovoltaic material, and may be configured to resonate at a bandgap energy of the photovoltaic material. Systems include a photovoltaic material coupled with a feedpoint of a resonance element. Methods for harvesting energy include exposing a resonance element having a resonant electromagnetic radiation having a frequency between approximately 20 THz and approximately 1,000 THz, absorbing at least a portion of the electromagnetic radiation with the resonance element, and resonating the resonance element at a bandgap energy of an underlying photovoltaic material. Methods for forming an energy harvesting device include forming resonance elements on a substrate and capacitively coupling the resonance elements with a photovoltaic material.

Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

PubMed

Wei, Qichao; Zhao, Weilong; Yang, Yang; Cui, Beiliang; Xu, Zhijun; Yang, Xiaoning

2018-03-19

Considerable interest in characterizing protein/peptide-surface interactions has prompted extensive computational studies on calculations of adsorption free energy. However, in many cases, each individual study has focused on the application of free energy calculations to a specific system; therefore, it is difficult to combine the results into a general picture for choosing an appropriate strategy for the system of interest. Herein, three well-established computational algorithms are systemically compared and evaluated to compute the adsorption free energy of small molecules on two representative surfaces. The results clearly demonstrate that the characteristics of studied interfacial systems have crucial effects on the accuracy and efficiency of the adsorption free energy calculations. For the hydrophobic surface, steered molecular dynamics exhibits the highest efficiency, which appears to be a favorable method of choice for enhanced sampling simulations. However, for the charged surface, only the umbrella sampling method has the ability to accurately explore the adsorption free energy surface. The affinity of the water layer to the surface significantly affects the performance of free energy calculation methods, especially at the region close to the surface. Therefore, a general principle of how to discriminate between methodological and sampling issues based on the interfacial characteristics of the system under investigation is proposed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Design and Control of Hydronic Radiant Cooling Systems

NASA Astrophysics Data System (ADS)

Feng, Jingjuan

Improving energy efficiency in the Heating Ventilation and Air conditioning (HVAC) systems in buildings is critical to achieve the energy reduction in the building sector, which consumes 41% of all primary energy produced in the United States, and was responsible for nearly half of U.S. CO2 emissions. Based on a report by the New Building Institute (NBI), when HVAC systems are used, about half of the zero net energy (ZNE) buildings report using a radiant cooling/heating system, often in conjunction with ground source heat pumps. Radiant systems differ from air systems in the main heat transfer mechanism used to remove heat from a space, and in their control characteristics when responding to changes in control signals and room thermal conditions. This dissertation investigates three related design and control topics: cooling load calculations, cooling capacity estimation, and control for the heavyweight radiant systems. These three issues are fundamental to the development of accurate design/modeling tools, relevant performance testing methods, and ultimately the realization of the potential energy benefits of radiant systems. Cooling load calculations are a crucial step in designing any HVAC system. In the current standards, cooling load is defined and calculated independent of HVAC system type. In this dissertation, I present research evidence that sensible zone cooling loads for radiant systems are different from cooling loads for traditional air systems. Energy simulations, in EnergyPlus, and laboratory experiments were conducted to investigate the heat transfer dynamics in spaces conditioned by radiant and air systems. The results show that the magnitude of the cooling load difference between the two systems ranges from 7-85%, and radiant systems remove heat faster than air systems. For the experimental tested conditions, 75-82% of total heat gain was removed by radiant system during the period when the heater (simulating the heat gain) was on, while for air system, 61-63% were removed. From a heat transfer perspective, the differences are mainly because the chilled surfaces directly remove part of the radiant heat gains from a zone, thereby bypassing the time-delay effect caused by the interaction of radiant heat gain with non-active thermal mass in air systems. The major conclusions based on these findings are: 1) there are important limitations in the definition of cooling load for a mixing air system described in Chapter 18 of ASHRAE Handbook of Fundamentals when applied to radiant systems; 2) due to the obvious mismatch between how radiant heat transfer is handled in traditional cooling load calculation methods compared to its central role in radiant cooling systems, this dissertation provides improvements for the current cooling load calculation method based on the Heat Balance procedure. The Radiant Time Series method is not appropriate for radiant system applications. The findings also directly apply to the selection of space heat transfer modeling algorithms that are part of all energy modeling software. Cooling capacity estimation is another critical step in a design project. The above mentioned findings and a review of the existing methods indicates that current radiant system cooling capacity estimation methods fail to take into account incident shortwave radiation generated by solar and lighting in the calculation process. This causes a significant underestimation (up to 150% for some instances) of floor cooling capacity when solar load is dominant. Building performance simulations were conducted to verify this hypothesis and quantify the impacts of solar for different design scenarios. A new simplified method was proposed to improve the predictability of the method described in ISO 11855 when solar radiation is present. The dissertation also compares the energy and comfort benefits of the model-based predictive control (MPC) method with a fine-tuned heuristic control method when applied to a heavyweight embedded surface system. A first order dynamic model of a radiant slab system was developed for implementation in model predictive controllers. A calibrated EnergyPlus model of a typical office building in California was used as a testbed for the comparison. The results indicated that MPC is able to reduce the cooling tower energy consumption by 55% and pumping power consumption by 26%, while maintaining equivalent or even better thermal comfort conditions. In summary, the dissertation work has: (1) provided clear evidence that the fundamental heat transfer mechanisms differ between radiant and air systems. These findings have important implications for the development of accurate and reliable design and energy simulation tools; (2) developed practical design methods and guidance to aid practicing engineers who are designing radiant systems; and (3) outlined future research and design tools need to advance the state-of-knowledge and design and operating guidelines for radiant systems.

Recipes for free energy calculations in biomolecular systems.

PubMed

Moradi, Mahmoud; Babin, Volodymyr; Sagui, Celeste; Roland, Christopher

2013-01-01

During the last decade, several methods for sampling phase space and calculating various free energies in biomolecular systems have been devised or refined for molecular dynamics (MD) simulations. Thus, state-of-the-art methodology and the ever increasing computer power allow calculations that were forbidden a decade ago. These calculations, however, are not trivial as they require knowledge of the methods, insight into the system under study, and, quite often, an artful combination of different methodologies in order to avoid the various traps inherent in an unknown free energy landscape. In this chapter, we illustrate some of these concepts with two relatively simple systems, a sugar ring and proline oligopeptides, whose free energy landscapes still offer considerable challenges. In order to explore the configurational space of these systems, and to surmount the various free energy barriers, we combine three complementary methods: a nonequilibrium umbrella sampling method (adaptively biased MD, or ABMD), replica-exchange molecular dynamics (REMD), and steered molecular dynamics (SMD). In particular, ABMD is used to compute the free energy surface of a set of collective variables; REMD is used to improve the performance of ABMD, to carry out sampling in space complementary to the collective variables, and to sample equilibrium configurations directly; and SMD is used to study different transition mechanisms.

Efficient Energy-Storage Concept

NASA Technical Reports Server (NTRS)

Brantley, L. W. J.; Rupp, C.

1982-01-01

Space-platform energy-storage and attitude-stabilization system utilizes variable moment of inertia of two masses attached to ends of retractable cable. System would be brought to its initial operating speed by gravity-gradient pumping. When fully developed, concept could be part of an orbiting solar-energy collection system. Energy would be temporarily stored in system then transmitted to Earth by microwaves or other method.

Incorporating energy conservation techniques in the operation of existing LeRC R and D facilities. [energy policy/NASA programs

NASA Technical Reports Server (NTRS)

Nieberding, W. C.

1975-01-01

A general discussion of various methods which can be used to reduce energy consumption is presented. A very brief description of Lewis Research Center facilities is given and the energy reduction methods are discussed relative to them. Some specific examples (ie; automated equipment and data systems) of the implementation of the energy reduction methods are included.

Implementation study of wearable sensors for activity recognition systems.

PubMed

Rezaie, Hamed; Ghassemian, Mona

2015-08-01

This Letter investigates and reports on a number of activity recognition methods for a wearable sensor system. The authors apply three methods for data transmission, namely 'stream-based', 'feature-based' and 'threshold-based' scenarios to study the accuracy against energy efficiency of transmission and processing power that affects the mote's battery lifetime. They also report on the impact of variation of sampling frequency and data transmission rate on energy consumption of motes for each method. This study leads us to propose a cross-layer optimisation of an activity recognition system for provisioning acceptable levels of accuracy and energy efficiency.

Non-invasive energy meter for fixed and variable flow systems

DOEpatents

Menicucci, David F.; Black, Billy D.

2005-11-01

An energy metering method and apparatus for liquid flow systems comprising first and second segments of one or more conduits through which a liquid flows, comprising: attaching a first temperature sensor for connection to an outside of the first conduit segment; attaching a second temperature sensor for connection to an outside of the second conduit segment; via a programmable control unit, receiving data from the sensors and calculating energy data therefrom; and communicating energy data from the meter; whereby the method and apparatus operate without need to temporarily disconnect or alter the first or second conduit segments. The invention operates with both variable and fixed flow systems, and is especially useful for both active and passive solar energy systems.

Systems and methods for controlling energy use during a demand limiting period

DOEpatents

Wenzel, Michael J.; Drees, Kirk H.

2016-04-26

Systems and methods for limiting power consumption by a heating, ventilation, and air conditioning (HVAC) subsystem of a building are shown and described. A feedback controller is used to generate a manipulated variable based on an energy use setpoint and a measured energy use. The manipulated variable may be used for adjusting the operation of an HVAC device.

Industrial ecology: Quantitative methods for exploring a lower carbon future

NASA Astrophysics Data System (ADS)

Thomas, Valerie M.

2015-03-01

Quantitative methods for environmental and cost analyses of energy, industrial, and infrastructure systems are briefly introduced and surveyed, with the aim of encouraging broader utilization and development of quantitative methods in sustainable energy research. Material and energy flow analyses can provide an overall system overview. The methods of engineering economics and cost benefit analysis, such as net present values, are the most straightforward approach for evaluating investment options, with the levelized cost of energy being a widely used metric in electricity analyses. Environmental lifecycle assessment has been extensively developed, with both detailed process-based and comprehensive input-output approaches available. Optimization methods provide an opportunity to go beyond engineering economics to develop detailed least-cost or least-impact combinations of many different choices.

Efficient material decomposition method for dual-energy X-ray cargo inspection system

NASA Astrophysics Data System (ADS)

Lee, Donghyeon; Lee, Jiseoc; Min, Jonghwan; Lee, Byungcheol; Lee, Byeongno; Oh, Kyungmin; Kim, Jaehyun; Cho, Seungryong

2018-03-01

Dual-energy X-ray inspection systems are widely used today for it provides X-ray attenuation contrast of the imaged object and also its material information. Material decomposition capability allows a higher detection sensitivity of potential targets including purposely loaded impurities in agricultural product inspections and threats in security scans for example. Dual-energy X-ray transmission data can be transformed into two basis material thickness data, and its transformation accuracy heavily relies on a calibration of material decomposition process. The calibration process in general can be laborious and time consuming. Moreover, a conventional calibration method is often challenged by the nonuniform spectral characteristics of the X-ray beam in the entire field-of-view (FOV). In this work, we developed an efficient material decomposition calibration process for a linear accelerator (LINAC) based high-energy X-ray cargo inspection system. We also proposed a multi-spot calibration method to improve the decomposition performance throughout the entire FOV. Experimental validation of the proposed method has been demonstrated by use of a cargo inspection system that supports 6 MV and 9 MV dual-energy imaging.

System and methods for reducing harmonic distortion in electrical converters

DOEpatents

Kajouke, Lateef A; Perisic, Milun; Ransom, Ray M

2013-12-03

Systems and methods are provided for delivering energy using an energy conversion module. An exemplary method for delivering energy from an input interface to an output interface using an energy converison module coupled between the input interface and the output interface comprises the steps of determining an input voltage reference for the input interface based on a desired output voltage and a measured voltage and the output interface, determining a duty cycle control value based on a ratio of the input voltage reference and the measured voltage, operating one or more switching elements of the energy conversion module to deliver energy from the input interface to the output interface to the output interface with a duty cycle influenced by the dute cycle control value.

A free energy satisfying discontinuous Galerkin method for one-dimensional Poisson-Nernst-Planck systems

NASA Astrophysics Data System (ADS)

Liu, Hailiang; Wang, Zhongming

2017-01-01

We design an arbitrary-order free energy satisfying discontinuous Galerkin (DG) method for solving time-dependent Poisson-Nernst-Planck systems. Both the semi-discrete and fully discrete DG methods are shown to satisfy the corresponding discrete free energy dissipation law for positive numerical solutions. Positivity of numerical solutions is enforced by an accuracy-preserving limiter in reference to positive cell averages. Numerical examples are presented to demonstrate the high resolution of the numerical algorithm and to illustrate the proven properties of mass conservation, free energy dissipation, as well as the preservation of steady states.

Research on the energy and ecological efficiency of mechanical equipment remanufacturing systems

NASA Astrophysics Data System (ADS)

Shi, Junli; Cheng, Jinshi; Ma, Qinyi; Wang, Yajun

2017-08-01

According to the characteristics of mechanical equipment remanufacturing system, the dynamic performance of energy consumption and emission is explored, the equipment energy efficiency and emission analysis model is established firstly, and then energy and ecological efficiency analysis method of the remanufacturing system is put forward, at last, the energy and ecological efficiency of WD615.87 automotive diesel engine remanufacturing system as an example is analyzed, the way of energy efficiency improvementnt and environmental friendly mechanism of remanufacturing process is put forward.

Systems and methods for wave energy conversion

DOEpatents

MacDonald, Daniel G.; Cantara, Justin; Nathan, Craig; Lopes, Amy M.; Green, Brandon E.

2017-02-28

Systems for wave energy conversion that have components that can survive the harsh marine environment and that can be attached to fixed structures, such as a pier, and having the ability to naturally adjust for tidal height and methods for their use are presented.

SCALE Continuous-Energy Eigenvalue Sensitivity Coefficient Calculations

DOE PAGES

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

2016-02-25

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

Systems and methods for remote long standoff biometric identification using microwave cardiac signals

NASA Technical Reports Server (NTRS)

McGrath, William R. (Inventor); Talukder, Ashit (Inventor)

2012-01-01

Systems and methods for remote, long standoff biometric identification using microwave cardiac signals are provided. In one embodiment, the invention relates to a method for remote biometric identification using microwave cardiac signals, the method including generating and directing first microwave energy in a direction of a person, receiving microwave energy reflected from the person, the reflected microwave energy indicative of cardiac characteristics of the person, segmenting a signal indicative of the reflected microwave energy into a waveform including a plurality of heart beats, identifying patterns in the microwave heart beats waveform, and identifying the person based on the identified patterns and a stored microwave heart beats waveform.

Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices

DOEpatents

Chassin, David P [Pasco, WA; Donnelly, Matthew K [Kennewick, WA; Dagle, Jeffery E [Richland, WA

2011-12-06

Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices are described. In one aspect, an electrical power distribution control method includes providing electrical energy from an electrical power distribution system, applying the electrical energy to a load, providing a plurality of different values for a threshold at a plurality of moments in time and corresponding to an electrical characteristic of the electrical energy, and adjusting an amount of the electrical energy applied to the load responsive to an electrical characteristic of the electrical energy triggering one of the values of the threshold at the respective moment in time.

Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices

DOEpatents

Chassin, David P.; Donnelly, Matthew K.; Dagle, Jeffery E.

2006-12-12

Electrical power distribution control methods, electrical energy demand monitoring methods, and power management devices are described. In one aspect, an electrical power distribution control method includes providing electrical energy from an electrical power distribution system, applying the electrical energy to a load, providing a plurality of different values for a threshold at a plurality of moments in time and corresponding to an electrical characteristic of the electrical energy, and adjusting an amount of the electrical energy applied to the load responsive to an electrical characteristic of the electrical energy triggering one of the values of the threshold at the respective moment in time.

Estimation of Operating Condition of Appliances Using Circuit Current Data on Electric Distribution Boards

NASA Astrophysics Data System (ADS)

Iwafune, Yumiko; Ogimoto, Kazuhiko; Yagita, Yoshie

The Energy management systems (EMS) on demand sides are expected as a method to enhance the capability of supply and demand balancing of a power system under the anticipated penetration of renewable energy generation such as Photovoltaics (PV). Elucidation of energy consumption structure in a building is one of important elements for realization of EMS and contributes to the extraction of potential energy saving. In this paper, we propose the estimation method of operating condition of household appliances using circuit current data on an electric distribution board. Circuit current data are broken down by their shape using a self-organization map method and aggregated by appliance based on customers' information of appliance possessed. Proposed method is verified using residential energy consumption measurement survey data.

Alternate biomass harvesting systems using conventional equipment

Treesearch

Bryce J. Stokes; William F. Watson; I. Winston Savelle

1985-01-01

Three harvesting methods were field tested in two stand types. Costs and stand utilization rates were developed for a conventional harvesting system, without energy wood recovery; a two-pass roundwood and energy wood system; and a one-pass system that harvests roundwood and energy wood. The systems harvested 20-acre test blocks in two pine pulpwood plantations and in a...

Electrodynamic tethers for energy conversion

NASA Technical Reports Server (NTRS)

Nobles, W.

1986-01-01

Conductive tethers have been proposed as a new method for converting orbital mechanical energy into electrical power for use on-board a satellite (generator mode) or conversely (motor mode) as a method of providing electric propulsion using electrical energy from the satellite. The operating characteristics of such systems are functionally dependent on orbit altitude and inclination. Effects of these relationships are examined to determine acceptable regions of application. To identify system design considerations, a specific set of system performance goals and requirements are selected. The case selected is for a 25 kW auxiliary power system for use on Space Station. Appropriate system design considerations are developed, and the resulting system is described.

10 CFR 963.16 - Postclosure suitability evaluation method.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 963.16 Energy DEPARTMENT OF ENERGY YUCCA MOUNTAIN SITE SUITABILITY GUIDELINES Site Suitability... assessment to evaluate the ability of the Yucca Mountain disposal system to limit radiological doses and... the performance of the Yucca Mountain disposal system using the method described in paragraph (b) of...

An Operating Method Using Prediction of Photovoltaic Power for a Photovoltaic-Diesel Hybrid Power Generation System

NASA Astrophysics Data System (ADS)

Yamamoto, Shigehiro; Sumi, Kazuyoshi; Nishikawa, Eiichi; Hashimoto, Takeshi

This paper describes a novel operating method using prediction of photovoltaic (PV) power for a photovoltaic-diesel hybrid power generation system. The system is composed of a PV array, a storage battery, a bi-directional inverter and a diesel engine generator (DG). The proposed method enables the system to save fuel consumption by using PV energy effectively, reducing charge and discharge energy of the storage battery, and avoiding low-load operation of the DG. The PV power is simply predicted from a theoretical equation of solar radiation and the observed PV energy for a constant time before the prediction. The amount of fuel consumption of the proposed method is compared with that of other methods by a simulation based on measurement data of the PV power at an actual PV generation system for one year. The simulation results indicate that the amount of fuel consumption of the proposed method is smaller than that of any other methods, and is close to that of the ideal operation of the DG.

Forecasting Electric Power Generation of Photovoltaic Power System for Energy Network

NASA Astrophysics Data System (ADS)

Kudo, Mitsuru; Takeuchi, Akira; Nozaki, Yousuke; Endo, Hisahito; Sumita, Jiro

Recently, there has been an increase in concern about the global environment. Interest is growing in developing an energy network by which new energy systems such as photovoltaic and fuel cells generate power locally and electric power and heat are controlled with a communications network. We developed the power generation forecast method for photovoltaic power systems in an energy network. The method makes use of weather information and regression analysis. We carried out forecasting power output of the photovoltaic power system installed in Expo 2005, Aichi Japan. As a result of comparing measurements with a prediction values, the average prediction error per day was about 26% of the measured power.

Gallium Nitride Direct Energy Conversion Betavoltaic Modeling and Optimization

DTIC Science & Technology

2017-03-01

require high energy density battery systems. Radioisotopes are the most energy dense materials that can be converted into electrical energy. Pure...beta radioisotopes can be used towards making a long-lasting battery. However, the process to convert the energy provided by a pure beta radioisotope ...betavoltaic. Each energy conversion method has different challenges to overcome to improve thesystem efficiency. These energy conversion methods that are

Islanding detection technique using wavelet energy in grid-connected PV system

NASA Astrophysics Data System (ADS)

Kim, Il Song

2016-08-01

This paper proposes a new islanding detection method using wavelet energy in a grid-connected photovoltaic system. The method detects spectral changes in the higher-frequency components of the point of common coupling voltage and obtains wavelet coefficients by multilevel wavelet analysis. The autocorrelation of the wavelet coefficients can clearly identify islanding detection, even in the variations of the grid voltage harmonics during normal operating conditions. The advantage of the proposed method is that it can detect islanding condition the conventional under voltage/over voltage/under frequency/over frequency methods fail to detect. The theoretical method to obtain wavelet energies is evolved and verified by the experimental result.

Chapter 4: Small Commercial and Residential Unitary and Split System HVAC Heating and Cooling Equipment-Efficiency Upgrade 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; Jacobson, David; Metoyer, Jarred

The specific measure described here involves improving the overall efficiency in air-conditioning systems as a whole (compressor, evaporator, condenser, and supply fan). The efficiency rating is expressed as the energy efficiency ratio (EER), seasonal energy efficiency ratio (SEER), and integrated energy efficiency ratio (IEER). The higher the EER, SEER or IEER, the more efficient the unit is.

Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method.

PubMed

Sinha, Debalina; Pavanello, Michele

2015-08-28

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term the Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.

Exact kinetic energy enables accurate evaluation of weak interactions by the FDE-vdW method

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

Sinha, Debalina; Pavanello, Michele, E-mail: m.pavanello@rutgers.edu

2015-08-28

The correlation energy of interaction is an elusive and sought-after interaction between molecular systems. By partitioning the response function of the system into subsystem contributions, the Frozen Density Embedding (FDE)-vdW method provides a computationally amenable nonlocal correlation functional based on the adiabatic connection fluctuation dissipation theorem applied to subsystem density functional theory. In reproducing potential energy surfaces of weakly interacting dimers, we show that FDE-vdW, either employing semilocal or exact nonadditive kinetic energy functionals, is in quantitative agreement with high-accuracy coupled cluster calculations (overall mean unsigned error of 0.5 kcal/mol). When employing the exact kinetic energy (which we term themore » Kohn-Sham (KS)-vdW method), the binding energies are generally closer to the benchmark, and the energy surfaces are also smoother.« less

Methodology to improve design of accelerated life tests in civil engineering projects.

PubMed

Lin, Jing; Yuan, Yongbo; Zhou, Jilai; Gao, Jie

2014-01-01

For reliability testing an Energy Expansion Tree (EET) and a companion Energy Function Model (EFM) are proposed and described in this paper. Different from conventional approaches, the EET provides a more comprehensive and objective way to systematically identify external energy factors affecting reliability. The EFM introduces energy loss into a traditional Function Model to identify internal energy sources affecting reliability. The combination creates a sound way to enumerate the energies to which a system may be exposed during its lifetime. We input these energies into planning an accelerated life test, a Multi Environment Over Stress Test. The test objective is to discover weak links and interactions among the system and the energies to which it is exposed, and design them out. As an example, the methods are applied to the pipe in subsea pipeline. However, they can be widely used in other civil engineering industries as well. The proposed method is compared with current methods.

Efficient and Robust Optimization for Building Energy Simulation

PubMed Central

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

2016-01-01

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

Efficient and Robust Optimization for Building Energy Simulation.

PubMed

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

2016-06-15

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

Implementation study of wearable sensors for activity recognition systems

PubMed Central

Ghassemian, Mona

2015-01-01

This Letter investigates and reports on a number of activity recognition methods for a wearable sensor system. The authors apply three methods for data transmission, namely ‘stream-based’, ‘feature-based’ and ‘threshold-based’ scenarios to study the accuracy against energy efficiency of transmission and processing power that affects the mote's battery lifetime. They also report on the impact of variation of sampling frequency and data transmission rate on energy consumption of motes for each method. This study leads us to propose a cross-layer optimisation of an activity recognition system for provisioning acceptable levels of accuracy and energy efficiency. PMID:26609413

Floating Ultrasonic Transducer Inspection System and Method for Nondestructive Evaluation

NASA Technical Reports Server (NTRS)

Johnston, Patrick H. (Inventor); Zalameda, Joseph N. (Inventor)

2016-01-01

A method for inspecting a structural sample using ultrasonic energy includes positioning an ultrasonic transducer adjacent to a surface of the sample, and then transmitting ultrasonic energy into the sample. Force pulses are applied to the transducer concurrently with transmission of the ultrasonic energy. A host machine processes ultrasonic return pulses from an ultrasonic pulser/receiver to quantify attenuation of the ultrasonic energy within the sample. The host machine detects a defect in the sample using the quantified level of attenuation. The method may include positioning a dry couplant between an ultrasonic transducer and the surface. A system includes an actuator, an ultrasonic transducer, a dry couplant between the transducer the sample, a scanning device that moves the actuator and transducer, and a measurement system having a pulsed actuator power supply, an ultrasonic pulser/receiver, and a host machine that executes the above method.

Free energy calculation of single molecular interaction using Jarzynski's identity method: the case of HIV-1 protease inhibitor system

NASA Astrophysics Data System (ADS)

Li, De-Chang; Ji, Bao-Hua

2012-06-01

Jarzynski' identity (JI) method was suggested a promising tool for reconstructing free energy landscape of biomolecular interactions in numerical simulations and experiments. However, JI method has not yet been well tested in complex systems such as ligand-receptor molecular pairs. In this paper, we applied a huge number of steered molecular dynamics (SMD) simulations to dissociate the protease of human immunodeficiency type I virus (HIV-1 protease) and its inhibitors. We showed that because of intrinsic complexity of the ligand-receptor system, the energy barrier predicted by JI method at high pulling rates is much higher than experimental results. However, with a slower pulling rate and fewer switch times of simulations, the predictions of JI method can approach to the experiments. These results suggested that the JI method is more appropriate for reconstructing free energy landscape using the data taken from experiments, since the pulling rates used in experiments are often much slower than those in SMD simulations. Furthermore, we showed that a higher loading stiffness can produce higher precision of calculation of energy landscape because it yields a lower mean value and narrower bandwidth of work distribution in SMD simulations.

Performance evaluation method of electric energy data acquire system based on combination of subjective and objective weights

NASA Astrophysics Data System (ADS)

Gao, Chen; Ding, Zhongan; Deng, Bofa; Yan, Shengteng

2017-10-01

According to the characteristics of electric energy data acquire system (EEDAS), considering the availability of each index data and the connection between the index integrity, establishing the performance evaluation index system of electric energy data acquire system from three aspects as master station system, communication channel, terminal equipment. To determine the comprehensive weight of each index based on triangular fuzzy number analytic hierarchy process with entropy weight method, and both subjective preference and objective attribute are taken into consideration, thus realize the performance comprehensive evaluation more reasonable and reliable. Example analysis shows that, by combination with analytic hierarchy process (AHP) and triangle fuzzy numbers (TFN) to establish comprehensive index evaluation system based on entropy method, the evaluation results not only convenient and practical, but also more objective and accurate.

Evaluation strategy of regenerative braking energy for supercapacitor vehicle.

PubMed

Zou, Zhongyue; Cao, Junyi; Cao, Binggang; Chen, Wen

2015-03-01

In order to improve the efficiency of energy conversion and increase the driving range of electric vehicles, the regenerative energy captured during braking process is stored in the energy storage devices and then will be re-used. Due to the high power density of supercapacitors, they are employed to withstand high current in the short time and essentially capture more regenerative energy. The measuring methods for regenerative energy should be investigated to estimate the energy conversion efficiency and performance of electric vehicles. Based on the analysis of the regenerative braking energy system of a supercapacitor vehicle, an evaluation system for energy recovery in the braking process is established using USB portable data-acquisition devices. Experiments under various braking conditions are carried out. The results verify the higher efficiency of energy regeneration system using supercapacitors and the effectiveness of the proposed measurement method. It is also demonstrated that the maximum regenerative energy conversion efficiency can reach to 88%. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Quantitation of absorbed or deposited materials on a substrate that measures energy deposition

DOEpatents

Grant, Patrick G.; Bakajin, Olgica; Vogel, John S.; Bench, Graham

2005-01-18

This invention provides a system and method for measuring an energy differential that correlates to quantitative measurement of an amount mass of an applied localized material. Such a system and method remains compatible with other methods of analysis, such as, for example, quantitating the elemental or isotopic content, identifying the material, or using the material in biochemical analysis.

Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations.

PubMed

Brieuc, Fabien; Bronstein, Yael; Dammak, Hichem; Depondt, Philippe; Finocchi, Fabio; Hayoun, Marc

2016-12-13

The quantum thermal bath (QTB) has been presented as an alternative to path-integral-based methods to introduce nuclear quantum effects in molecular dynamics simulations. The method has proved to be efficient, yielding accurate results for various systems. However, the QTB method is prone to zero-point energy leakage (ZPEL) in highly anharmonic systems. This is a well-known problem in methods based on classical trajectories where part of the energy of the high-frequency modes is transferred to the low-frequency modes leading to a wrong energy distribution. In some cases, the ZPEL can have dramatic consequences on the properties of the system. Thus, we investigate the ZPEL by testing the QTB method on selected systems with increasing complexity in order to study the conditions and the parameters that influence the leakage. We also analyze the consequences of the ZPEL on the structural and vibrational properties of the system. We find that the leakage is particularly dependent on the damping coefficient and that increasing its value can reduce and, in some cases, completely remove the ZPEL. When using sufficiently high values for the damping coefficient, the expected energy distribution among the vibrational modes is ensured. In this case, the QTB method gives very encouraging results. In particular, the structural properties are well-reproduced. The dynamical properties should be regarded with caution although valuable information can still be extracted from the vibrational spectrum, even for large values of the damping term.

Thermal control system and method for a passive solar storage wall

DOEpatents

Ortega, Joseph K. E.

1984-01-01

The invention provides a system and method for controlling the storing and elease of thermal energy from a thermal storage wall wherein said wall is capable of storing thermal energy from insolation of solar radiation. The system and method includes a device such as a plurality of louvers spaced a predetermined distance from the thermal wall for regulating the release of thermal energy from the thermal wall. This regulating device is made from a material which is substantially transparent to the incoming solar radiation so that when it is in any operative position, the thermal storage wall substantially receives all of the impacting solar radiation. The material in the regulating device is further capable of being substantially opaque to thermal energy so that when the device is substantially closed, thermal release of energy from the storage wall is substantially minimized. An adjustment device is interconnected with the regulating mechanism for selectively opening and closing it in order to regulate the release of thermal energy from the wall.

High power laser perforating tools and systems

DOEpatents

Zediker, Mark S; Rinzler, Charles C; Faircloth, Brian O; Koblick, Yeshaya; Moxley, Joel F

2014-04-22

ystems devices and methods for the transmission of 1 kW or more of laser energy deep into the earth and for the suppression of associated nonlinear phenomena. Systems, devices and methods for the laser perforation of a borehole in the earth. These systems can deliver high power laser energy down a deep borehole, while maintaining the high power to perforate such boreholes.

Methodology for the comparative assessment of the Satellite Power System (SPS) and alternative technologies

NASA Technical Reports Server (NTRS)

Wolsko, T.; Buehring, W.; Cirillo, R.; Gasper, J.; Habegger, L.; Hub, K.; Newsom, D.; Samsa, M.; Stenehjem, E.; Whitfield, R.

1980-01-01

The energy systems concerned are the satellite power system, several coal technologies, geothermal energy, fission, fusion, terrestrial solar systems, and ocean thermal energy conversion. Guidelines are suggested for the characterization of these systems, side-by-side analysis, alternative futures analysis, and integration and aggregation of data. A description of the methods for assessing the technical, economic, environmental, societal, and institutional issues surrounding the development of the selected energy technologies is presented.

Analysis of stray radiation for infrared optical system

NASA Astrophysics Data System (ADS)

Li, Yang; Zhang, Tingcheng; Liao, Zhibo; Mu, Shengbo; Du, Jianxiang; Wang, Xiangdong

2016-10-01

Based on the theory of radiation energy transfer in the infrared optical system, two methods for stray radiation analysis caused by interior thermal radiation in infrared optical system are proposed, one of which is important sampling method technique using forward ray trace, another of which is integral computation method using reverse ray trace. The two methods are discussed in detail. A concrete infrared optical system is provided. Light-tools is used to simulate the passage of radiation from the mirrors and mounts. Absolute values of internal irradiance on the detector are received. The results shows that the main part of the energy on the detector is due to the critical objects which were consistent with critical objects obtained by reverse ray trace, where mirror self-emission contribution is about 87.5% of the total energy. Corresponding to the results, the irradiance on the detector calculated by the two methods are in good agreement. So the validity and rationality of the two methods are proved.

Parameters optimization for the energy management system of hybrid electric vehicle

NASA Astrophysics Data System (ADS)

Tseng, Chyuan-Yow; Hung, Yi-Hsuan; Tsai, Chien-Hsiung; Huang, Yu-Jen

2007-12-01

Hybrid electric vehicle (HEV) has been widely studied recently due to its high potential in reduction of fuel consumption, exhaust emission, and lower noise. Because of comprised of two power sources, the HEV requires an energy management system (EMS) to distribute optimally the power sources for various driving conditions. The ITRI in Taiwan has developed a HEV consisted of a 2.2L internal combustion engine (ICE), a 18KW motor/generator (M/G), a 288V battery pack, and a continuous variable transmission (CVT). The task of the present study is to design an energy management strategy of the EMS for the HEV. Due to the nonlinear nature and the fact of unknown system model of the system, a kind of simplex method based energy management strategy is proposed for the HEV system. The simplex method is a kind of optimization strategy which is generally used to find out the optimal parameters for un-modeled systems. The way to apply the simplex method for the design of the EMS is presented. The feasibility of the proposed method was verified by perform numerical simulation on the FTP75 drive cycles.

Discharging a DC bus capacitor of an electrical converter system

DOEpatents

Kajouke, Lateef A; Perisic, Milun; Ransom, Ray M

2014-10-14

A system and method of discharging a bus capacitor of a bidirectional matrix converter of a vehicle are presented here. The method begins by electrically shorting the AC interface of the converter after an AC energy source is disconnected from the AC interface. The method continues by arranging a plurality of switching elements of a second energy conversion module into a discharge configuration to establish an electrical current path from a first terminal of an isolation module, through an inductive element, and to a second terminal of the isolation module. The method also modulates a plurality of switching elements of a first energy conversion module, while maintaining the discharge configuration of the second energy conversion module, to at least partially discharge a DC bus capacitor.

Review of life-cycle approaches coupled with data envelopment analysis: launching the CFP + DEA method for energy policy making.

PubMed

Vázquez-Rowe, Ian; Iribarren, Diego

2015-01-01

Life-cycle (LC) approaches play a significant role in energy policy making to determine the environmental impacts associated with the choice of energy source. Data envelopment analysis (DEA) can be combined with LC approaches to provide quantitative benchmarks that orientate the performance of energy systems towards environmental sustainability, with different implications depending on the selected LC + DEA method. The present paper examines currently available LC + DEA methods and develops a novel method combining carbon footprinting (CFP) and DEA. Thus, the CFP + DEA method is proposed, a five-step structure including data collection for multiple homogenous entities, calculation of target operating points, evaluation of current and target carbon footprints, and result interpretation. As the current context for energy policy implies an anthropocentric perspective with focus on the global warming impact of energy systems, the CFP + DEA method is foreseen to be the most consistent LC + DEA approach to provide benchmarks for energy policy making. The fact that this method relies on the definition of operating points with optimised resource intensity helps to moderate the concerns about the omission of other environmental impacts. Moreover, the CFP + DEA method benefits from CFP specifications in terms of flexibility, understanding, and reporting.

Review of Life-Cycle Approaches Coupled with Data Envelopment Analysis: Launching the CFP + DEA Method for Energy Policy Making

PubMed Central

Vázquez-Rowe, Ian

2015-01-01

Life-cycle (LC) approaches play a significant role in energy policy making to determine the environmental impacts associated with the choice of energy source. Data envelopment analysis (DEA) can be combined with LC approaches to provide quantitative benchmarks that orientate the performance of energy systems towards environmental sustainability, with different implications depending on the selected LC + DEA method. The present paper examines currently available LC + DEA methods and develops a novel method combining carbon footprinting (CFP) and DEA. Thus, the CFP + DEA method is proposed, a five-step structure including data collection for multiple homogenous entities, calculation of target operating points, evaluation of current and target carbon footprints, and result interpretation. As the current context for energy policy implies an anthropocentric perspective with focus on the global warming impact of energy systems, the CFP + DEA method is foreseen to be the most consistent LC + DEA approach to provide benchmarks for energy policy making. The fact that this method relies on the definition of operating points with optimised resource intensity helps to moderate the concerns about the omission of other environmental impacts. Moreover, the CFP + DEA method benefits from CFP specifications in terms of flexibility, understanding, and reporting. PMID:25654136

Estimation of the effective heating systems radius as a method of the reliability improving and energy efficiency

NASA Astrophysics Data System (ADS)

Akhmetova, I. G.; Chichirova, N. D.

2017-11-01

When conducting an energy survey of heat supply enterprise operating several boilers located not far from each other, it is advisable to assess the degree of heat supply efficiency from individual boiler, the possibility of energy consumption reducing in the whole enterprise by switching consumers to a more efficient source, to close in effective boilers. It is necessary to consider the temporal dynamics of perspective load connection, conditions in the market changes. To solve this problem the radius calculation of the effective heat supply from the thermal energy source can be used. The disadvantage of existing methods is the high complexity, the need to collect large amounts of source data and conduct a significant amount of computational efforts. When conducting an energy survey of heat supply enterprise operating a large number of thermal energy sources, rapid assessment of the magnitude of the effective heating radius requires. Taking into account the specifics of conduct and objectives of the energy survey method of calculation of effective heating systems radius, to use while conducting the energy audit should be based on data available heat supply organization in open access, minimize efforts, but the result should be to match the results obtained by other methods. To determine the efficiency radius of Kazan heat supply system were determined share of cost for generation and transmission of thermal energy, capital investment to connect new consumers. The result were compared with the values obtained with the previously known methods. The suggested Express-method allows to determine the effective radius of the centralized heat supply from heat sources, in conducting energy audits with the effort minimum and the required accuracy.

Modified Nose-Hoover thermostat for solid state for constant temperature molecular dynamics simulation

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

Chen, Wen-Hwa, E-mail: whchen@pme.nthu.edu.tw; National Applied Research Laboratories, Taipei 10622, Taiwan, ROC; Wu, Chun-Hung

2011-07-10

Nose-Hoover (NH) thermostat methods incorporated with molecular dynamics (MD) simulation have been widely used to simulate the instantaneous system temperature and feedback energy in a canonical ensemble. The method simply relates the kinetic energy to the system temperature via the particles' momenta based on the ideal gas law. However, when used in a tightly bound system such as solids, the method may suffer from deriving a lower system temperature and potentially inducing early breaking of atomic bonds at relatively high temperature due to the neglect of the effect of the potential energy of atoms based on solid state physics. Inmore » this paper, a modified NH thermostat method is proposed for solid system. The method takes into account the contribution of phonons by virtue of the vibrational energy of lattice and the zero-point energy, derived based on the Debye theory. Proof of the equivalence of the method and the canonical ensemble is first made. The modified NH thermostat is tested on different gold nanocrystals to characterize their melting point and constant volume specific heat, and also their size and temperature dependence. Results show that the modified NH method can give much more comparable results to both the literature experimental and theoretical data than the standard NH. Most importantly, the present model is the only one, among the six thermostat algorithms under comparison, that can accurately reproduce the experimental data and also the T{sup 3}-law at temperature below the Debye temperature, where the specific heat of a solid at constant volume is proportional to the cube of temperature.« less

A Study of Energy Management Systems and its Failure Modes in Smart Grid Power Distribution

NASA Astrophysics Data System (ADS)

Musani, Aatif

The subject of this thesis is distribution level load management using a pricing signal in a smart grid infrastructure. The project relates to energy management in a spe-cialized distribution system known as the Future Renewable Electric Energy Delivery and Management (FREEDM) system. Energy management through demand response is one of the key applications of smart grid. Demand response today is envisioned as a method in which the price could be communicated to the consumers and they may shift their loads from high price periods to the low price periods. The development and deployment of the FREEDM system necessitates controls of energy and power at the point of end use. In this thesis, the main objective is to develop the control model of the Energy Management System (EMS). The energy and power management in the FREEDM system is digitally controlled therefore all signals containing system states are discrete. The EMS is modeled as a discrete closed loop transfer function in the z-domain. A breakdown of power and energy control devices such as EMS components may result in energy con-sumption error. This leads to one of the main focuses of the thesis which is to identify and study component failures of the designed control system. Moreover, H-infinity ro-bust control method is applied to ensure effectiveness of the control architecture. A focus of the study is cyber security attack, specifically bad data detection in price. Test cases are used to illustrate the performance of the EMS control design, the effect of failure modes and the application of robust control technique. The EMS was represented by a linear z-domain model. The transfer function be-tween the pricing signal and the demand response was designed and used as a test bed. EMS potential failure modes were identified and studied. Three bad data detection meth-odologies were implemented and a voting policy was used to declare bad data. The run-ning mean and standard deviation analysis method proves to be the best method to detect bad data. An H-infinity robust control technique was applied for the first time to design discrete EMS controller for the FREEDM system.

Passive designs and renewable energy systems optimization of a net zero energy building in Embrun/France

NASA Astrophysics Data System (ADS)

Harkouss, F.; Biwole, P. H.; Fardoun, F.

2018-05-01

Buildings’ optimization is a smart method to inspect the available design choices starting from passive strategies, to energy efficient systems and finally towards the adequate renewable energy system to be implemented. This paper outlines the methodology and the cost-effectiveness potential for optimizing the design of net-zero energy building in a French city; Embrun. The non-dominated sorting genetic algorithm is chosen in order to minimize thermal, electrical demands and life cycle cost while reaching the net zero energy balance; and thus getting the Pareto-front. Elimination and Choice Expressing the Reality decision making method is applied to the Pareto-front so as to obtain one optimal solution. A wide range of energy efficiency measures are investigated, besides solar energy systems are employed to produce required electricity and hot water for domestic purposes. The results indicate that the appropriate selection of the passive parameters is very important and critical in reducing the building energy consumption. The optimum design parameters yield to a decrease of building’s thermal loads and life cycle cost by 32.96% and 14.47% respectively.

48 CFR 917.7201-1 - General.

Code of Federal Regulations, 2014 CFR

2014-10-01

... demonstrations of various forms of non-nuclear energy and technology utilization. (b) Each program opportunity... Section 917.7201-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND... acceptability of particular energy technologies, systems, subsystems, and components. Program opportunity...

48 CFR 917.7201-1 - General.

Code of Federal Regulations, 2012 CFR

2012-10-01

... demonstrations of various forms of non-nuclear energy and technology utilization. (b) Each program opportunity... Section 917.7201-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND... acceptability of particular energy technologies, systems, subsystems, and components. Program opportunity...

48 CFR 917.7201-1 - General.

Code of Federal Regulations, 2013 CFR

2013-10-01

... demonstrations of various forms of non-nuclear energy and technology utilization. (b) Each program opportunity... Section 917.7201-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND... acceptability of particular energy technologies, systems, subsystems, and components. Program opportunity...

48 CFR 917.7201-1 - General.

Code of Federal Regulations, 2010 CFR

2010-10-01

... demonstrations of various forms of non-nuclear energy and technology utilization. (b) Each program opportunity... Section 917.7201-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND... acceptability of particular energy technologies, systems, subsystems, and components. Program opportunity...

48 CFR 917.7201-1 - General.

Code of Federal Regulations, 2011 CFR

2011-10-01

... demonstrations of various forms of non-nuclear energy and technology utilization. (b) Each program opportunity... Section 917.7201-1 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND... acceptability of particular energy technologies, systems, subsystems, and components. Program opportunity...

Fast mean and variance computation of the diffuse sound transmission through finite-sized thick and layered wall and floor systems

NASA Astrophysics Data System (ADS)

Decraene, Carolina; Dijckmans, Arne; Reynders, Edwin P. B.

2018-05-01

A method is developed for computing the mean and variance of the diffuse field sound transmission loss of finite-sized layered wall and floor systems that consist of solid, fluid and/or poroelastic layers. This is achieved by coupling a transfer matrix model of the wall or floor to statistical energy analysis subsystem models of the adjacent room volumes. The modal behavior of the wall is approximately accounted for by projecting the wall displacement onto a set of sinusoidal lateral basis functions. This hybrid modal transfer matrix-statistical energy analysis method is validated on multiple wall systems: a thin steel plate, a polymethyl methacrylate panel, a thick brick wall, a sandwich panel, a double-leaf wall with poro-elastic material in the cavity, and a double glazing. The predictions are compared with experimental data and with results obtained using alternative prediction methods such as the transfer matrix method with spatial windowing, the hybrid wave based-transfer matrix method, and the hybrid finite element-statistical energy analysis method. These comparisons confirm the prediction accuracy of the proposed method and the computational efficiency against the conventional hybrid finite element-statistical energy analysis method.

Research on Operation Assessment Method for Energy Meter

NASA Astrophysics Data System (ADS)

Chen, Xiangqun; Huang, Rui; Shen, Liman; chen, Hao; Xiong, Dezhi; Xiao, Xiangqi; Liu, Mouhai; Xu, Renheng

2018-03-01

The existing electric energy meter rotation maintenance strategy regularly checks the electric energy meter and evaluates the state. It only considers the influence of time factors, neglects the influence of other factors, leads to the inaccuracy of the evaluation, and causes the waste of resources. In order to evaluate the running state of the electric energy meter in time, a method of the operation evaluation of the electric energy meter is proposed. The method is based on extracting the existing data acquisition system, marketing business system and metrology production scheduling platform that affect the state of energy meters, and classified into error stability, operational reliability, potential risks and other factors according to the influencing factors, based on the above basic test score, inspecting score, monitoring score, score of family defect detection. Then, according to the evaluation model according to the scoring, we evaluate electric energy meter operating state, and finally put forward the corresponding maintenance strategy of rotation.

A Method of Evaluating Operation of Electric Energy Meter

NASA Astrophysics Data System (ADS)

Chen, Xiangqun; Li, Tianyang; Cao, Fei; Chu, Pengfei; Zhao, Xinwang; Huang, Rui; Liu, Liping; Zhang, Chenglin

2018-05-01

The existing electric energy meter rotation maintenance strategy regularly checks the electric energy meter and evaluates the state. It only considers the influence of time factors, neglects the influence of other factors, leads to the inaccuracy of the evaluation, and causes the waste of resources. In order to evaluate the running state of the electric energy meter in time, a method of the operation evaluation of the electric energy meter is proposed. The method is based on extracting the existing data acquisition system, marketing business system and metrology production scheduling platform that affect the state of energy meters, and classified into error stability, operational reliability, potential risks and other factors according to the influencing factors, based on the above basic test score, inspecting score, monitoring score, score of family defect detection. Then, according to the evaluation model according to the scoring, we evaluate electric energy meter operating state, and finally put forward the corresponding maintenance strategy of rotation.

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

Methods and systems for thermodynamic evaluation of battery state of health

DOEpatents

Yazami, Rachid; McMenamin, Joseph; Reynier, Yvan; Fultz, Brent T

2014-12-02

Described are systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and battery systems and for characterizing the state of health of electrodes and battery systems. Measurement of physical attributes of electrodes and batteries corresponding to thermodynamically stabilized electrode conditions permit determination of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and battery systems, such as energy, power density, current rate, cycle life and state of health. Also provided are systems and methods for charging a battery according to its state of health.

Methods and apparatus for delivering high power laser energy to a surface

DOEpatents

Faircloth, Brian O; Zediker, Mark S; Rinzler, Charles C; Koblick, Yeshaya; Moxley, Joel F

2013-04-23

There is provided a system, apparatus and methods for providing a laser beam to borehole surface in a predetermined and energy deposition profile. The predetermined energy deposition profiles may be uniform or tailored to specific downhole applications. Optic assemblies for obtaining these predetermined energy deposition profiles are further provided.

High power laser energy distribution patterns, apparatus and methods for creating wells

DOEpatents

Faircloth, Brian O.; Zediker, Mark S.; Rinzler, Charles C.; Koblick, Yeshaya; Moxley, Joel F.

2016-03-15

There is provided a system, apparatus and methods for providing a laser beam to borehole surface in a predetermined and energy deposition profile. The predetermined energy deposition profiles may be uniform or tailored to specific downhole applications. Optic assemblies for obtaining these predetermined energy deposition profiles are further provided.

Design of Intelligent Hydraulic Excavator Control System Based on PID Method

NASA Astrophysics Data System (ADS)

Zhang, Jun; Jiao, Shengjie; Liao, Xiaoming; Yin, Penglong; Wang, Yulin; Si, Kuimao; Zhang, Yi; Gu, Hairong

Most of the domestic designed hydraulic excavators adopt the constant power design method and set 85%~90% of engine power as the hydraulic system adoption power, it causes high energy loss due to mismatching of power between the engine and the pump. While the variation of the rotational speed of engine could sense the power shift of the load, it provides a new method to adjust the power matching between engine and pump through engine speed. Based on negative flux hydraulic system, an intelligent hydraulic excavator control system was designed based on rotational speed sensing method to improve energy efficiency. The control system was consisted of engine control module, pump power adjusted module, engine idle module and system fault diagnosis module. Special PLC with CAN bus was used to acquired the sensors and adjusts the pump absorption power according to load variation. Four energy saving control strategies with constant power method were employed to improve the fuel utilization. Three power modes (H, S and L mode) were designed to meet different working status; Auto idle function was employed to save energy through two work status detected pressure switches, 1300rpm was setting as the idle speed according to the engine consumption fuel curve. Transient overload function was designed for deep digging within short time without spending extra fuel. An increasing PID method was employed to realize power matching between engine and pump, the rotational speed's variation was taken as the PID algorithm's input; the current of proportional valve of variable displacement pump was the PID's output. The result indicated that the auto idle could decrease fuel consumption by 33.33% compared to work in maximum speed of H mode, the PID control method could take full use of maximum engine power at each power mode and keep the engine speed at stable range. Application of rotational speed sensing method provides a reliable method to improve the excavator's energy efficiency and realize power match between pump and engine.

Acoustic Suppression Systems and Related Methods

NASA Technical Reports Server (NTRS)

Kolaini, Ali R. (Inventor); Kern, Dennis L. (Inventor)

2013-01-01

An acoustic suppression system for absorbing and/or scattering acoustic energy comprising a plurality of acoustic targets in a containment is described, the acoustic targets configured to have resonance frequencies allowing the targets to be excited by incoming acoustic waves, the resonance frequencies being adjustable to suppress acoustic energy in a set frequency range. Methods for fabricating and implementing the acoustic suppression system are also provided.

Analysis of Photovoltaic System Energy Performance Evaluation Method

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

Kurtz, S.; Newmiller, J.; Kimber, A.

2013-11-01

Documentation of the energy yield of a large photovoltaic (PV) system over a substantial period can be useful to measure a performance guarantee, as an assessment of the health of the system, for verification of a performance model to then be applied to a new system, or for a variety of other purposes. Although the measurement of this performance metric might appear to be straight forward, there are a number of subtleties associated with variations in weather and imperfect data collection that complicate the determination and data analysis. A performance assessment is most valuable when it is completed with amore » very low uncertainty and when the subtleties are systematically addressed, yet currently no standard exists to guide this process. This report summarizes a draft methodology for an Energy Performance Evaluation Method, the philosophy behind the draft method, and the lessons that were learned by implementing the method.« less

Optimal control for wind turbine system via state-space method

NASA Astrophysics Data System (ADS)

Shanoob, Mudhafar L.

Renewable energy is becoming a fascinating research interest in future energy production because it is green and does not pollute nature. Wind energy is an excellent example of renewable resources that are evolving. Throughout the history of humanity, wind energy has been used. In ancient time, it was used to grind seeds, sailing etc. Nowadays, wind energy has been used to generate electrical power. Researchers have done a lot of research about using a wind source to generate electricity. As wind flow is not reliable, there is a challenge to get stable electricity out of this varying wind. This problem leads to the use of different control methods and the optimization of these methods to get a stable and reliable electrical energy. In this research, a wind turbine system is considered to study the transient and the steady-state stability; consisting of the aerodynamic system, drive train and generator. The Doubly Feed Induction Generator (DFIG) type generator is used in this thesis. The wind turbine system is connected to power system network. The grid is an infinite bus bar connected to a short transmission line and transformer. The generator is attached to the grid from the stator side. State-space method is used to model the wind turbine parts. The system is modeled and controlled using MATLAB/Simulation software. First, the current-mode control method (PVdq) with (PI) regulator is operated as a reference to find how the system reacts to an unexpected disturbance on the grid side or turbine side. The controller is operated with three scenarios of disruption: Disturbance-mechanical torque input, Step disturbance in the electrical torque reference and Fault Ride-through. In the simulation results, the time response and the transient stability of the system is a product of the disturbances that take a long time to settle. So, for this reason, Linear Quadratic Regulation (LQR) optimal control is utilized to solve this problem. The LQR method is designed based on using type 1 servo system that depends on the full state feedback variables and tracking error. The LQR improves the transient stability and time response of the wind turbine system in all three-disturbance scenarios. The results of both methods are deeply explained in the simulation section.

Multistate metadynamics for automatic exploration of conical intersections

NASA Astrophysics Data System (ADS)

Lindner, Joachim O.; Röhr, Merle I. S.; Mitrić, Roland

2018-05-01

We introduce multistate metadynamics for automatic exploration of conical intersection seams between adiabatic Born-Oppenheimer potential energy surfaces in molecular systems. By choosing the energy gap between the electronic states as a collective variable the metadynamics drives the system from an arbitrary ground-state configuration toward the intersection seam. Upon reaching the seam, the multistate electronic Hamiltonian is extended by introducing biasing potentials into the off-diagonal elements, and the molecular dynamics is continued on a modified potential energy surface obtained by diagonalization of the latter. The off-diagonal bias serves to locally open the energy gap and push the system to the next intersection point. In this way, the conical intersection energy landscape can be explored, identifying minimum energy crossing points and the barriers separating them. We illustrate the method on the example of furan, a prototype organic molecule exhibiting rich photophysics. The multistate metadynamics reveals plateaus on the conical intersection energy landscape from which the minimum energy crossing points with characteristic geometries can be extracted. The method can be combined with the broad spectrum of electronic structure methods and represents a generally applicable tool for the exploration of photophysics and photochemistry in complex molecules and materials.

WSEAT Shock Testing Margin Assessment Using Energy Spectra Final Report.

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

Sisemore, Carl; Babuska, Vit; Booher, Jason

Several programs at Sandia National Laboratories have adopted energy spectra as a metric to relate the severity of mechanical insults to structural capacity. The purpose being to gain insight into the system's capability, reliability, and to quantify the ultimate margin between the normal operating envelope and the likely system failure point -- a system margin assessment. The fundamental concern with the use of energy metrics was that the applicability domain and implementation details were not completely defined for many problems of interest. The goal of this WSEAT project was to examine that domain of applicability and work out the necessarymore » implementation details. The goal of this project was to provide experimental validation for the energy spectra based methods in the context of margin assessment as they relate to shock environments. The extensive test results concluded that failure predictions using energy methods did not agree with failure predictions using S-N data. As a result, a modification to the energy methods was developed following the form of Basquin's equation to incorporate the power law exponent for fatigue damage. This update to the energy-based framework brings the energy based metrics into agreement with experimental data and historical S-N data.« less

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

Guo, Z.; Department of Applied Mathematics and Mechanics, University of Science and Technology Beijing, Beijing 100083; Lin, P.

In this paper, we investigate numerically a diffuse interface model for the Navier–Stokes equation with fluid–fluid interface when the fluids have different densities [48]. Under minor reformulation of the system, we show that there is a continuous energy law underlying the system, assuming that all variables have reasonable regularities. It is shown in the literature that an energy law preserving method will perform better for multiphase problems. Thus for the reformulated system, we design a C{sup 0} finite element method and a special temporal scheme where the energy law is preserved at the discrete level. Such a discrete energy lawmore » (almost the same as the continuous energy law) for this variable density two-phase flow model has never been established before with C{sup 0} finite element. A Newton method is introduced to linearise the highly non-linear system of our discretization scheme. Some numerical experiments are carried out using the adaptive mesh to investigate the scenario of coalescing and rising drops with differing density ratio. The snapshots for the evolution of the interface together with the adaptive mesh at different times are presented to show that the evolution, including the break-up/pinch-off of the drop, can be handled smoothly by our numerical scheme. The discrete energy functional for the system is examined to show that the energy law at the discrete level is preserved by our scheme.« less

Multi-energy Coordinated Evaluation for Energy Internet

NASA Astrophysics Data System (ADS)

Jia, Dongqiang; Sun, Jian; Wang, Cunping; Hong, Xiao; Ma, Xiufan; Xiong, Wenting; Shen, Yaqi

2017-05-01

This paper reviews the current research status of multi-energy coordinated evaluation for energy Internet. Taking the coordinated optimization effect of wind energy, solar energy and other energy sources into consideration, 17 evaluation indexes, such as the substitution coefficient of cold heat and power, the ratio of wind and solar energy, and the rate of energy storage ratio, were designed from five aspects, including the acceptance of renewable energy, energy complementary alternative benefits, peak valley difference, the degree of equipment utilization and user needs. At the same time, this article attaches importance to the economic and social benefits of the coordination of multiple energy sources. Ultimately, a comprehensive multi-energy coordination evaluation index system of regional energy Internet was put forward from the safe operation, coordination and optimization, economic and social benefits four aspects, and a comprehensive evaluation model was established. This model uses the optimal combination weighting method based on moment estimation and Topsis evaluation analysis method, so both the subjective and objective weight of the index are considered and the coordinate evaluation of multi-energy is realized. Finally the perfection of the index system and the validity of the evaluation method are verified by a case analysis.

A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive Processes.

PubMed

Ovchinnikov, Victor; Nam, Kwangho; Karplus, Martin

2016-08-25

A method is developed to obtain simultaneously free energy profiles and diffusion constants from restrained molecular simulations in diffusive systems. The method is based on low-order expansions of the free energy and diffusivity as functions of the reaction coordinate. These expansions lead to simple analytical relationships between simulation statistics and model parameters. The method is tested on 1D and 2D model systems; its accuracy is found to be comparable to or better than that of the existing alternatives, which are briefly discussed. An important aspect of the method is that the free energy is constructed by integrating its derivatives, which can be computed without need for overlapping sampling windows. The implementation of the method in any molecular simulation program that supports external umbrella potentials (e.g., CHARMM) requires modification of only a few lines of code. As a demonstration of its applicability to realistic biomolecular systems, the method is applied to model the α-helix ↔ β-sheet transition in a 16-residue peptide in implicit solvent, with the reaction coordinate provided by the string method. Possible modifications of the method are briefly discussed; they include generalization to multidimensional reaction coordinates [in the spirit of the model of Ermak and McCammon (Ermak, D. L.; McCammon, J. A. J. Chem. Phys. 1978, 69, 1352-1360)], a higher-order expansion of the free energy surface, applicability in nonequilibrium systems, and a simple test for Markovianity. In view of the small overhead of the method relative to standard umbrella sampling, we suggest its routine application in the cases where umbrella potential simulations are appropriate.

Estimating Atomic Contributions to Hydration and Binding Using Free Energy Perturbation.

PubMed

Irwin, Benedict W J; Huggins, David J

2018-06-12

We present a general method called atom-wise free energy perturbation (AFEP), which extends a conventional molecular dynamics free energy perturbation (FEP) simulation to give the contribution to a free energy change from each atom. AFEP is derived from an expansion of the Zwanzig equation used in the exponential averaging method by defining that the system total energy can be partitioned into contributions from each atom. A partitioning method is assumed and used to group terms in the expansion to correspond to individual atoms. AFEP is applied to six example free energy changes to demonstrate the method. Firstly, the hydration free energies of methane, methanol, methylamine, methanethiol, and caffeine in water. AFEP highlights the atoms in the molecules that interact favorably or unfavorably with water. Finally AFEP is applied to the binding free energy of human immunodeficiency virus type 1 protease to lopinavir, and AFEP reveals the contribution of each atom to the binding free energy, indicating candidate areas of the molecule to improve to produce a more strongly binding inhibitor. FEP gives a single value for the free energy change and is already a very useful method. AFEP gives a free energy change for each "part" of the system being simulated, where part can mean individual atoms, chemical groups, amino acids, or larger partitions depending on what the user is trying to measure. This method should have various applications in molecular dynamics studies of physical, chemical, or biochemical phenomena, specifically in the field of computational drug discovery.

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.

PubMed

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G

2011-08-28

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi-Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi-Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. © 2011 American Institute of Physics

Incorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory

PubMed Central

Isegawa, Miho; Gao, Jiali; Truhlar, Donald G.

2011-01-01

Molecular fragmentation algorithms provide a powerful approach to extending electronic structure methods to very large systems. Here we present a method for including charge transfer between molecular fragments in the explicit polarization (X-Pol) fragment method for calculating potential energy surfaces. In the conventional X-Pol method, the total charge of each fragment is preserved, and charge transfer between fragments is not allowed. The description of charge transfer is made possible by treating each fragment as an open system with respect to the number of electrons. To achieve this, we applied Mermin's finite temperature method to the X-Pol wave function. In the application of this method to X-Pol, the fragments are open systems that partially equilibrate their number of electrons through a quasithermodynamics electron reservoir. The number of electrons in a given fragment can take a fractional value, and the electrons of each fragment obey the Fermi–Dirac distribution. The equilibrium state for the electrons is determined by electronegativity equalization with conservation of the total number of electrons. The amount of charge transfer is controlled by re-interpreting the temperature parameter in the Fermi–Dirac distribution function as a coupling strength parameter. We determined this coupling parameter so as to reproduce the charge transfer energy obtained by block localized energy decomposition analysis. We apply the new method to ten systems, and we show that it can yield reasonable approximations to potential energy profiles, to charge transfer stabilization energies, and to the direction and amount of charge transferred. PMID:21895159

Free energy from molecular dynamics with multiple constraints

NASA Astrophysics Data System (ADS)

den Otter, W. K.; Briels, W. J.

In molecular dynamics simulations of reacting systems, the key step to determining the equilibrium constant and the reaction rate is the calculation of the free energy as a function of the reaction coordinate. Intuitively the derivative of the free energy is equal to the average force needed to constrain the reaction coordinate to a constant value, but the metric tensor effect of the constraint on the sampled phase space distribution complicates this relation. The appropriately corrected expression for the potential of mean constraint force method (PMCF) for systems in which only the reaction coordinate is constrained was published recently. Here we will consider the general case of a system with multiple constraints. This situation arises when both the reaction coordinate and the 'hard' coordinates are constrained, and also in systems with several reaction coordinates. The obvious advantage of this method over the established thermodynamic integration and free energy perturbation methods is that it avoids the cumbersome introduction of a full set of generalized coordinates complementing the constrained coordinates. Simulations of n -butane and n -pentane in vacuum illustrate the method.

Quantum energy teleportation in a quantum Hall system

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

Yusa, Go; Izumida, Wataru; Hotta, Masahiro

2011-09-15

We propose an experimental method for a quantum protocol termed quantum energy teleportation (QET), which allows energy transportation to a remote location without physical carriers. Using a quantum Hall system as a realistic model, we discuss the physical significance of QET and estimate the order of energy gain using reasonable experimental parameters.

Systems and Methods for Providing Energy to Support Missions in Near Earth Space

NASA Technical Reports Server (NTRS)

Fork, Richard (Inventor)

2015-01-01

A system has a plurality of spacecraft in orbit around the earth for collecting energy from the Sun in space, using stimulated emission to configure that energy as well defined states of the optical field and delivering that energy efficiently throughout the region of space surrounding Earth.

Optimal Operation and Management for Smart Grid Subsumed High Penetration of Renewable Energy, Electric Vehicle, and Battery Energy Storage System

NASA Astrophysics Data System (ADS)

Shigenobu, Ryuto; Noorzad, Ahmad Samim; Muarapaz, Cirio; Yona, Atsushi; Senjyu, Tomonobu

2016-04-01

Distributed generators (DG) and renewable energy sources have been attracting special attention in distribution systems in all over the world. Renewable energies, such as photovoltaic (PV) and wind turbine generators are considered as green energy. However, a large amount of DG penetration causes voltage deviation beyond the statutory range and reverse power flow at interconnection points in the distribution system. If excessive voltage deviation occurs, consumer's electric devices might break and reverse power flow will also has a negative impact on the transmission system. Thus, mass interconnections of DGs has an adverse effect on both of the utility and the customer. Therefore, reactive power control method is proposed previous research by using inverters attached DGs for prevent voltage deviations. Moreover, battery energy storage system (BESS) is also proposed for resolve reverse power flow. In addition, it is possible to supply high quality power for managing DGs and BESSs. Therefore, this paper proposes a method to maintain voltage, active power, and reactive power flow at interconnection points by using cooperative controlled of PVs, house BESSs, EVs, large BESSs, and existing voltage control devices. This paper not only protect distribution system, but also attain distribution loss reduction and effectivity management of control devices. Therefore mentioned control objectives are formulated as an optimization problem that is solved by using the Particle Swarm Optimization (PSO) algorithm. Modified scheduling method is proposed in order to improve convergence probability of scheduling scheme. The effectiveness of the proposed method is verified by case studies results and by using numerical simulations in MATLAB®.

Research status and evaluation system of heat source evaluation method for central heating

NASA Astrophysics Data System (ADS)

Sun, Yutong; Qi, Junfeng; Cao, Yi

2018-02-01

The central heating boiler room is a regional heat source heating center. It is also a kind of the urban environment pollution, it is an important section of building energy efficiency. This article through to the evaluation method of central heating boiler room and overviews of the researches during domestic and overseas, summarized the main influence factors affecting energy consumption of industrial boiler under the condition of stable operation. According to the principle of establishing evaluation index system. We can find that is great significance in energy saving and environmental protection for the content of the evaluation index system of the centralized heating system.

Optical air data systems and methods

NASA Technical Reports Server (NTRS)

Caldwell, Loren M. (Inventor); Tang, Shoou-yu (Inventor); O'Brien, Martin (Inventor)

2010-01-01

Systems and methods for sensing air outside a moving aircraft are presented. In one embodiment, a system includes a laser for generating laser energy. The system also includes one or more transceivers for projecting the laser energy as laser radiation to the air. Subsequently, each transceiver receives laser energy as it is backscattered from the air. A computer processes signals from the transceivers to distinguish molecular scattered laser radiation from aerosol scattered laser radiation and determines one or more air parameters based on the scattered laser radiation. Such air parameters may include air speed, air pressure, air temperature and aircraft orientation angle, such as yaw, angle of attack and sideslip.

Optical air data systems and methods

NASA Technical Reports Server (NTRS)

Caldwell, Loren M. (Inventor); O'Brien, Martin J. (Inventor); Weimer, Carl S. (Inventor); Nelson, Loren D. (Inventor)

2008-01-01

Systems and methods for sensing air outside a moving aircraft are presented. In one embodiment, a system includes a laser for generating laser energy. The system also includes one or more transceivers for projecting the laser energy as laser radiation to the air. Subsequently, each transceiver receives laser energy as it is backscattered from the air. A computer processes signals from the transceivers to distinguish molecular scattered laser radiation from aerosol scattered laser radiation and determines one or more air parameters based on the scattered laser radiation. Such air parameters may include air speed, air pressure, air temperature and aircraft orientation angle, such as yaw, angle of attack and sideslip.

Optical air data systems and methods

NASA Technical Reports Server (NTRS)

Caldwell, Loren M. (Inventor); O'Brien, Martin J. (Inventor); Weimer, Carl S. (Inventor); Nelson, Loren D. (Inventor)

2005-01-01

Systems and methods for sensing air outside a moving aircraft are presented. In one embodiment, a system includes a laser for generating laser energy. The system also includes one or more transceivers for projecting the laser energy as laser radiation to the air. Subsequently, each transceiver receives laser energy as it is backscattered from the air. A computer processes signals from the transceivers to distinguish molecular scattered laser radiation from aerosol scattered laser radiation and determines one or more air parameters based on the scattered laser radiation. Such air parameters may include air speed, air pressure, air temperature and aircraft orientation angle, such as yaw, angle of attack and sideslip.

Design and parametric study on energy harvesting from bridge vibration using tuned dual-mass damper systems

NASA Astrophysics Data System (ADS)

Takeya, Kouichi; Sasaki, Eiichi; Kobayashi, Yusuke

2016-01-01

A bridge vibration energy harvester has been proposed in this paper using a tuned dual-mass damper system, named hereafter Tuned Mass Generator (TMG). A linear electromagnetic transducer has been applied to harvest and make use of the unused reserve of energy the aforementioned damper system absorbs. The benefits of using dual-mass systems over single-mass systems for power generation have been clarified according to the theory of vibrations. TMG parameters have been determined considering multi-domain parameters, and TMG has been tuned using a newly proposed parameter design method. Theoretical analysis results have shown that for effective energy harvesting, it is essential that TMG has robustness against uncertainties in bridge vibrations and tuning errors, and the proposed parameter design method for TMG has demonstrated this feature.

Optimization of Gear Ratio in the Tidal Current Generation System based on Generated Energy

NASA Astrophysics Data System (ADS)

Naoi, Kazuhisa; Shiono, Mitsuhiro; Suzuki, Katsuyuki

It is possible to predict generating power of the tidal current generation, because of the tidal current's periodicity. Tidal current generation is more advantageous than other renewable energy sources, when the tidal current generation system is connected to the power system and operated. In this paper, we propose a method used to optimize the gear ratio and generator capacity, that is fundamental design items in the tidal current generation system which is composed of Darrieus type water turbine and squirrel-cage induction generator coupled with gear. The proposed method is applied to the tidal current generation system including the most large-sized turbine that we have developed and studied. This paper shows optimum gear ratio and generator capacity that make generated energy maximum, and verify effectiveness of the proposed method. The paper also proposes a method of selecting maximum generating current velocity in order to reduce the generator capacity, from the viewpoint of economics.

ON THE ROLE OF INVOLUTIONS IN THE DISCONTINUOUS GALERKIN DISCRETIZATION OF MAXWELL AND MAGNETOHYDRODYNAMIC SYSTEMS

NASA Technical Reports Server (NTRS)

Barth, Timothy

2005-01-01

The role of involutions in energy stability of the discontinuous Galerkin (DG) discretization of Maxwell and magnetohydrodynamic (MHD) systems is examined. Important differences are identified in the symmetrization of the Maxwell and MHD systems that impact the construction of energy stable discretizations using the DG method. Specifically, general sufficient conditions to be imposed on the DG numerical flux and approximation space are given so that energy stability is retained These sufficient conditions reveal the favorable energy consequence of imposing continuity in the normal component of the magnetic induction field at interelement boundaries for MHD discretizations. Counterintuitively, this condition is not required for stability of Maxwell discretizations using the discontinuous Galerkin method.

Methods for Analysis of Urban Energy Systems: A New York City Case Study

NASA Astrophysics Data System (ADS)

Howard, Bianca

This dissertation describes methods developed for analysis of the New York City energy system. The analysis specifically aims to consider the built environment and its' impacts on greenhouse gas (GHG) emissions. Several contributions to the urban energy systems literature were made. First, estimates of annual energy intensities of the New York building stock were derived using a statistical analysis that leveraged energy consumption and tax assessor data collected by the Office of the Mayor. These estimates provided the basis for an assessment of the spatial distribution of building energy consumption. The energy consumption estimates were then leveraged to estimate the potential for combined heat and power (CHP) systems in New York City at both the building and microgrid scales. In aggregate, given the 2009 non-baseload GHG emissions factors for electricity production, these systems could reduce citywide GHG emissions by 10%. The operational characteristics of CHP systems were explored further considering different prime movers, climates, and GHG emissions factors. A combination of mixed integer linear programing and controlled random search algorithms were the methods used to determine the optimal capacity and operating strategies for the CHP systems under the various scenarios. Lastly a multi-regional unit commitment model of electricity and GHG emissions production for New York State was developed using data collected from several publicly available sources. The model was used to estimate average and marginal GHG emissions factors for New York State and New York City. The analysis found that marginal GHG emissions factors could reduce by 30% to 370 g CO2e/kWh in the next 10 years.

Methodology to Improve Design of Accelerated Life Tests in Civil Engineering Projects

PubMed Central

Lin, Jing; Yuan, Yongbo; Zhou, Jilai; Gao, Jie

2014-01-01

For reliability testing an Energy Expansion Tree (EET) and a companion Energy Function Model (EFM) are proposed and described in this paper. Different from conventional approaches, the EET provides a more comprehensive and objective way to systematically identify external energy factors affecting reliability. The EFM introduces energy loss into a traditional Function Model to identify internal energy sources affecting reliability. The combination creates a sound way to enumerate the energies to which a system may be exposed during its lifetime. We input these energies into planning an accelerated life test, a Multi Environment Over Stress Test. The test objective is to discover weak links and interactions among the system and the energies to which it is exposed, and design them out. As an example, the methods are applied to the pipe in subsea pipeline. However, they can be widely used in other civil engineering industries as well. The proposed method is compared with current methods. PMID:25111800

Modeling and Synthesis Methods for Retrofit Design of Submarine Actuation Systems. Energy Storage for Electric Actuators

DTIC Science & Technology

2011-12-15

for Retrofit Design of Submarine Actuation Systems 5b. GRANT NUMBER Energy Storage for Electric Actuators NOOO 14-08-1-0424 5c. PROGRAM ELEMENT...are used to derive power and energy storage requirements for control surface actuation during extreme submarine maneuvers, such as emergency...and for initially sizing system components. 15. SUBJECT TERMS Submarines, electromagnetic actuators, energy storage, simulation-based design

Methods for thermodynamic evaluation of battery state of health

DOEpatents

Yazami, Rachid; McMenamin, Joseph; Reynier, Yvan; Fultz, Brent T

2013-05-21

Described are systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and battery systems and for characterizing the state of health of electrodes and battery systems. Measurement of physical attributes of electrodes and batteries corresponding to thermodynamically stabilized electrode conditions permit determination of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and battery systems, such as energy, power density, current rate, cycle life and state of health. Also provided are systems and methods for charging a battery according to its state of health.

A comparison of the coupled cluster and internally contracted averaged coupled-pair functional levels of theory for the calculation of the MCH2(+) binding energies for M = Sc to Cu

NASA Technical Reports Server (NTRS)

Bauschlicher, Charles W., Jr.; Partridge, Harry; Scuseria, Gustavo E.

1992-01-01

The correlation contribution to the M-C binding energy for the MCH2(+) systems can exceed 100 kcal/mol. At the self-consistent field (SCF) level, these systems can be more than 50 kcal/mol above the fragment energies. In spite of the poor zeroth-order reference, the coupled cluster single and double excitation method with a perturbational estimate of triple excitations, CCSD(T), method is shown to provide an accurate description of these systems. The maximum difference between the CCSD(T) and internally contracted averaged coupled-pair functional binding energies is 1.5 kcal/mol for CrCH2(+), with the remaining systems agreeing to within 1.0 kcal/mol.

Energy management system for a rotary machine and method therefor

DOEpatents

Bowman, Michael John; Sinha, Gautam; Sheldon, Karl Edward

2004-11-09

In energy management system is provided for a power generating device having a working fluid intake in which the energy management system comprises an electrical dissipation device coupled to the power generating device and a dissipation device cooling system configured to direct a portion of a working fluid to the electrical dissipation device so as to provide thermal control to the electrical dissipation device.

Vibration Transmission through Rolling Element Bearings in Geared Rotor Systems

DTIC Science & Technology

1990-11-01

147 4.8 Concluding Remarks ........................................................... 153 V STATISTICAL ENERGY ANALYSIS ............................................ 155...and dynamic finite element techniques are used to develop the discrete vibration models while statistical energy analysis method is used for the broad...bearing system studies, geared rotor system studies, and statistical energy analysis . Each chapter is self sufficient since it is written in a

Image method for induced surface charge from many-body system of dielectric spheres

NASA Astrophysics Data System (ADS)

Qin, Jian; de Pablo, Juan J.; Freed, Karl F.

2016-09-01

Charged dielectric spheres embedded in a dielectric medium provide the simplest model for many-body systems of polarizable ions and charged colloidal particles. We provide a multiple scattering formulation for the total electrostatic energy for such systems and demonstrate that the polarization energy can be rapidly evaluated by an image method that generalizes the image methods for conducting spheres. Individual contributions to the total electrostatic energy are ordered according to the number of polarized surfaces involved, and each additional surface polarization reduces the energy by a factor of (a/R)3ɛ, where a is the sphere radius, R the average inter-sphere separation, and ɛ the relevant dielectric mismatch at the interface. Explicit expressions are provided for both the energy and the forces acting on individual spheres, which can be readily implemented in Monte Carlo and molecular dynamics simulations of polarizable charged spheres, thereby avoiding costly computational techniques that introduce a surface charge distribution that requires numerical solution.

IImage method for induced surface charge from many-body system of dielectric spheres

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

Qin, Jian; de Pablo, Juan J.; Freed, Karl F.

2016-09-28

Charged dielectric spheres embedded in a dielectric medium provide the simplest model for many-body systems of polarizable ions and charged colloidal particles. We provide a multiple scattering formulation for the total electrostatic energy for such systems and demonstrate that the polarization energy can be rapidly evaluated by an image method that generalizes the image methods for conducting spheres. Individual contributions to the total electrostatic energy are ordered according to the number of polarized surfaces involved, and each additional surface polarization reduces the energy by a factor of (a/R)(3) epsilon, where a is the sphere radius, R the average inter-sphere separation,more » and. the relevant dielectric mismatch at the interface. Explicit expressions are provided for both the energy and the forces acting on individual spheres, which can be readily implemented in Monte Carlo and molecular dynamics simulations of polarizable charged spheres, thereby avoiding costly computational techniques that introduce a surface charge distribution that requires numerical solution.« less

Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

PubMed

Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

2014-09-16

Conspectus The development of more efficient and more accurate ways to represent reactive potential energy surfaces is a requirement for extending the simulation of large systems to more complex systems, longer-time dynamical processes, and more complete statistical mechanical sampling. One way to treat large systems is by direct dynamics fragment methods. Another way is by fitting system-specific analytic potential energy functions with methods adapted to large systems. Here we consider both approaches. First we consider three fragment methods that allow a given monomer to appear in more than one fragment. The first two approaches are the electrostatically embedded many-body (EE-MB) expansion and the electrostatically embedded many-body expansion of the correlation energy (EE-MB-CE), which we have shown to yield quite accurate results even when one restricts the calculations to include only electrostatically embedded dimers. The third fragment method is the electrostatically embedded molecular tailoring approach (EE-MTA), which is more flexible than EE-MB and EE-MB-CE. We show that electrostatic embedding greatly improves the accuracy of these approaches compared with the original unembedded approaches. Quantum mechanical fragment methods share with combined quantum mechanical/molecular mechanical (QM/MM) methods the need to treat a quantum mechanical fragment in the presence of the rest of the system, which is especially challenging for those parts of the rest of the system that are close to the boundary of the quantum mechanical fragment. This is a delicate matter even for fragments that are not covalently bonded to the rest of the system, but it becomes even more difficult when the boundary of the quantum mechanical fragment cuts a bond. We have developed a suite of methods for more realistically treating interactions across such boundaries. These methods include redistributing and balancing the external partial atomic charges and the use of tuned fluorine atoms for capping dangling bonds, and we have shown that they can greatly improve the accuracy. Finally we present a new approach that goes beyond QM/MM by combining the convenience of molecular mechanics with the accuracy of fitting a potential function to electronic structure calculations on a specific system. To make the latter practical for systems with a large number of degrees of freedom, we developed a method to interpolate between local internal-coordinate fits to the potential energy. A key issue for the application to large systems is that rather than assigning the atoms or monomers to fragments, we assign the internal coordinates to reaction, secondary, and tertiary sets. Thus, we make a partition in coordinate space rather than atom space. Fits to the local dependence of the potential energy on tertiary coordinates are arrayed along a preselected reaction coordinate at a sequence of geometries called anchor points; the potential energy function is called an anchor points reactive potential. Electrostatically embedded fragment methods and the anchor points reactive potential, because they are based on treating an entire system by quantum mechanical electronic structure methods but are affordable for large and complex systems, have the potential to open new areas for accurate simulations where combined QM/MM methods are inadequate.

Manufacturing Laboratory | Energy Systems Integration Facility | NREL

Science.gov Websites

Manufacturing Laboratory Manufacturing Laboratory Researchers in the Energy Systems Integration Facility's Manufacturing Laboratory develop methods and technologies to scale up renewable energy technology manufacturing capabilities. Photo of researchers and equipment in the Manufacturing Laboratory. Capability Hubs

Energy Management in Schools.

ERIC Educational Resources Information Center

Canadian School Trustees Association, Ottawa (Ontario).

This booklet provides the basic information for starting an energy conservation program. Guidelines for involving all school personnel and promoting energy conservation throughout the entire Canadian education system are provided. Outlined in the booklet are methods for climate proofing the building envelope and making the system air tight,…

Advanced building energy management system demonstration for Department of Defense buildings.

PubMed

O'Neill, Zheng; Bailey, Trevor; Dong, Bing; Shashanka, Madhusudana; Luo, Dong

2013-08-01

This paper presents an advanced building energy management system (aBEMS) that employs advanced methods of whole-building performance monitoring combined with statistical methods of learning and data analysis to enable identification of both gradual and discrete performance erosion and faults. This system assimilated data collected from multiple sources, including blueprints, reduced-order models (ROM) and measurements, and employed advanced statistical learning algorithms to identify patterns of anomalies. The results were presented graphically in a manner understandable to facilities managers. A demonstration of aBEMS was conducted in buildings at Naval Station Great Lakes. The facility building management systems were extended to incorporate the energy diagnostics and analysis algorithms, producing systematic identification of more efficient operation strategies. At Naval Station Great Lakes, greater than 20% savings were demonstrated for building energy consumption by improving facility manager decision support to diagnose energy faults and prioritize alternative, energy-efficient operation strategies. The paper concludes with recommendations for widespread aBEMS success. © 2013 New York Academy of Sciences.

Comprehensive evaluation of global energy interconnection development index

NASA Astrophysics Data System (ADS)

Liu, Lin; Zhang, Yi

2018-04-01

Under the background of building global energy interconnection and realizing green and low-carbon development, this article constructed the global energy interconnection development index system which based on the current situation of global energy interconnection development. Through using the entropy method for the weight analysis of global energy interconnection development index, and then using gray correlation method to analyze the selected countries, this article got the global energy interconnection development index ranking and level classification.

Joint optimization of regional water-power systems

NASA Astrophysics Data System (ADS)

Pereira-Cardenal, Silvio J.; Mo, Birger; Gjelsvik, Anders; Riegels, Niels D.; Arnbjerg-Nielsen, Karsten; Bauer-Gottwein, Peter

2016-06-01

Energy and water resources systems are tightly coupled; energy is needed to deliver water and water is needed to extract or produce energy. Growing pressure on these resources has raised concerns about their long-term management and highlights the need to develop integrated solutions. A method for joint optimization of water and electric power systems was developed in order to identify methodologies to assess the broader interactions between water and energy systems. The proposed method is to include water users and power producers into an economic optimization problem that minimizes the cost of power production and maximizes the benefits of water allocation, subject to constraints from the power and hydrological systems. The method was tested on the Iberian Peninsula using simplified models of the seven major river basins and the power market. The optimization problem was successfully solved using stochastic dual dynamic programming. The results showed that current water allocation to hydropower producers in basins with high irrigation productivity, and to irrigation users in basins with high hydropower productivity was sub-optimal. Optimal allocation was achieved by managing reservoirs in very distinct ways, according to the local inflow, storage capacity, hydropower productivity, and irrigation demand and productivity. This highlights the importance of appropriately representing the water users' spatial distribution and marginal benefits and costs when allocating water resources optimally. The method can handle further spatial disaggregation and can be extended to include other aspects of the water-energy nexus.

System and method for single-phase, single-stage grid-interactive inverter

DOEpatents

Liu, Liming; Li, Hui

2015-09-01

The present invention provides for the integration of distributed renewable energy sources/storages utilizing a cascaded DC-AC inverter, thereby eliminating the need for a DC-DC converter. The ability to segment the energy sources and energy storages improves the maintenance capability and system reliability of the distributed generation system, as well as achieve wide range reactive power compensation. In the absence of a DC-DC converter, single stage energy conversion can be achieved to enhance energy conversion efficiency.

Collision Based Blood Cell Distribution of the Blood Flow

NASA Astrophysics Data System (ADS)

Cinar, Yildirim

2003-11-01

Introduction: The goal of the study is the determination of the energy transferring process between colliding masses and the application of the results to the distribution of the cell, velocity and kinetic energy in arterial blood flow. Methods: Mathematical methods and models were used to explain the collision between two moving systems, and the distribution of linear momentum, rectilinear velocity, and kinetic energy in a collision. Results: According to decrease of mass of the second system, the velocity and momentum of constant mass of the first system are decreased, and linearly decreasing mass of the second system captures a larger amount of the kinetic energy and the rectilinear velocity of the collision system on a logarithmic scale. Discussion: The cause of concentration of blood cells at the center of blood flow an artery is not explained by Bernoulli principle alone but the kinetic energy and velocity distribution due to collision between the big mass of the arterial wall and the small mass of blood cells must be considered as well.

Multisource energy system project

NASA Astrophysics Data System (ADS)

Dawson, R. W.; Cowan, R. A.

1987-03-01

The mission of this project is to investigate methods of providing uninterruptible power to Army communications and navigational facilities, many of which have limited access or are located in rugged terrain. Two alternatives are currently available for deploying terrestrial stand-alone power systems: (1) conventional electric systems powered by diesel fuel, propane, or natural gas, and (2) alternative power systems using renewable energy sources such as solar photovoltaics (PV) or wind turbines (WT). The increased cost of fuels for conventional systems and the high cost of energy storage for single-source renewable energy systems have created interest in the hybrid or multisource energy system. This report will provide a summary of the first and second interim reports, final test results, and a user's guide for software that will assist in applying and designing multi-source energy systems.

Real-space finite-difference approach for multi-body systems: path-integral renormalization group method and direct energy minimization method.

PubMed

Sasaki, Akira; Kojo, Masashi; Hirose, Kikuji; Goto, Hidekazu

2011-11-02

The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated.

Diversification of energy sources

NASA Technical Reports Server (NTRS)

1975-01-01

The concept of energy source diversification was introduced as a substitution conservation action. The current status and philosophy behind a diversification program is presented in the context of a national energy policy. Advantages, disadvantages (constraints), and methods of implementation for diversification are discussed. The energy source systems for diversification are listed and an example impact assessment is outlined which deals with the water requirements of the specific energy systems.

Principles of light energy management

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

Davis, N.

1994-12-31

A review is presented on methods to minimize the effects of excess energy associated with lighting systems for plant growth. Information on lamp efficiencies and methods for separating and collecting unwanted heat is included.

GPU-accelerated computational tool for studying the effectiveness of asteroid disruption techniques

NASA Astrophysics Data System (ADS)

Zimmerman, Ben J.; Wie, Bong

2016-10-01

This paper presents the development of a new Graphics Processing Unit (GPU) accelerated computational tool for asteroid disruption techniques. Numerical simulations are completed using the high-order spectral difference (SD) method. Due to the compact nature of the SD method, it is well suited for implementation with the GPU architecture, hence solutions are generated at orders of magnitude faster than the Central Processing Unit (CPU) counterpart. A multiphase model integrated with the SD method is introduced, and several asteroid disruption simulations are conducted, including kinetic-energy impactors, multi-kinetic energy impactor systems, and nuclear options. Results illustrate the benefits of using multi-kinetic energy impactor systems when compared to a single impactor system. In addition, the effectiveness of nuclear options is observed.

Application of Islanding Detection and Classification of Power Quality Disturbance in Hybrid Energy System

NASA Astrophysics Data System (ADS)

Sun, L. B.; Wu, Z. S.; Yang, K. K.

2018-04-01

Islanding and power quality (PQ) disturbances in hybrid energy system become more serious with the application of renewable energy sources. In this paper, a novel method based on wavelet transform (WT) and modified feed forward neural network (FNN) is proposed to detect islanding and classify PQ problems. First, the performance indices, i.e., the energy content and SD of the transformed signal are extracted from the negative sequence component of the voltage signal at PCC using WT. Afterward, WT indices are fed to train FNNs midfield by Particle Swarm Optimization (PSO) which is a novel heuristic optimization method. Then, the results of simulation based on WT-PSOFNN are discussed in MATLAB/SIMULINK. Simulations on the hybrid power system show that the accuracy can be significantly improved by the proposed method in detecting and classifying of different disturbances connected to multiple distributed generations.

Energy evaluation of protection effectiveness of anti-vibration gloves.

PubMed

Hermann, Tomasz; Dobry, Marian Witalis

2017-09-01

This article describes an energy method of assessing protection effectiveness of anti-vibration gloves on the human dynamic structure. The study uses dynamic models of the human and the glove specified in Standard No. ISO 10068:2012. The physical models of human-tool systems were developed by combining human physical models with a power tool model. The combined human-tool models were then transformed into mathematical models from which energy models were finally derived. Comparative energy analysis was conducted in the domain of rms powers. The energy models of the human-tool systems were solved using numerical simulation implemented in the MATLAB/Simulink environment. The simulation procedure demonstrated the effectiveness of the anti-vibration glove as a method of protecting human operators of hand-held power tools against vibration. The desirable effect is achieved by lowering the flow of energy in the human-tool system when the anti-vibration glove is employed.

Life cycle design metrics for energy generation technologies: Method, data, and case study

NASA Astrophysics Data System (ADS)

Cooper, Joyce; Lee, Seung-Jin; Elter, John; Boussu, Jeff; Boman, Sarah

A method to assist in the rapid preparation of Life Cycle Assessments of emerging energy generation technologies is presented and applied to distributed proton exchange membrane fuel cell systems. The method develops life cycle environmental design metrics and allows variations in hardware materials, transportation scenarios, assembly energy use, operating performance and consumables, and fuels and fuel production scenarios to be modeled and comparisons to competing systems to be made. Data and results are based on publicly available U.S. Life Cycle Assessment data sources and are formulated to allow the environmental impact weighting scheme to be specified. A case study evaluates improvements in efficiency and in materials recycling and compares distributed proton exchange membrane fuel cell systems to other distributed generation options. The results reveal the importance of sensitivity analysis and system efficiency in interpreting case studies.

Zero-point energy constraint in quasi-classical trajectory calculations.

PubMed

Xie, Zhen; Bowman, Joel M

2006-04-27

A method to constrain the zero-point energy in quasi-classical trajectory calculations is proposed and applied to the Henon-Heiles system. The main idea of this method is to smoothly eliminate the coupling terms in the Hamiltonian as the energy of any mode falls below a specified value.

Turboexpander recovers energy

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

Moruzzi, L.; Righi, E.

1989-10-01

Turboexpanding natural gas in a decompression plant is a useful means to recover energy. Italy's natural gas transmission system uses this method in which gas is expanded through a turbine to recover the mechanical energy, rather than dissipate it as friction. The turbo expanding system is illustrated and thermodynamic aspects are discussed.

Systems and methods for controlling energy use in a building management system using energy budgets

DOEpatents

Wenzel, Michael J.

2012-06-17

Systems and methods for limiting power consumption by a heating, ventilation, and air conditioning (HVAC) subsystem of a building are shown and described. A mathematical linear operator is found that transforms the unused or deferred cooling power usage of the HVAC system based on pre-determined temperature settings to a target cooling power usage. The mathematical operator is applied to the temperature settings to create a temperature setpoint trajectory expected to provide the target cooling power usage.

Thermochemical reactor systems and methods

DOEpatents

Lipinski, Wojciech; Davidson, Jane Holloway; Chase, Thomas Richard

2016-11-29

Thermochemical reactor systems that may be used to produce a fuel, and methods of using the thermochemical reactor systems, utilizing a reactive cylindrical element, an optional energy transfer cylindrical element, an inlet gas management system, and an outlet gas management system.

Dormitory Solar-Energy-System Economics

NASA Technical Reports Server (NTRS)

1982-01-01

102-page report analyzes long-term economic performance of a prepackaged solar energy assembly system at a dormitory installation and extrapolates to four additional sites about the U.S. Method of evaluation is f-chart procedure for solar-heating and domestic hotwater systems.

Method for improving the fuel efficiency of a gas turbine engine

NASA Technical Reports Server (NTRS)

Coffinberry, G. A. (Inventor)

1985-01-01

An energy recovery system is provided for an aircraft gas turbine engine of the type in which some of the pneumatic energy developed by the engine is made available to support systems such as an environmental control system. In one such energy recovery system, some of the pneumatic energy made available to but not utilized by the support system is utilized to heat the engine fuel immediately prior to the consumption of the fuel by the engine. Some of the recovered energy may also be utilized to heat the fuel in the fuel tanks. Provision is made for multiengine applications wherein energy recovered from one engine may be utilized by another one of the engines or systems associated therewith.

Capacity value of energy storage considering control strategies.

PubMed

Shi, Nian; Luo, Yi

2017-01-01

In power systems, energy storage effectively improves the reliability of the system and smooths out the fluctuations of intermittent energy. However, the installed capacity value of energy storage cannot effectively measure the contribution of energy storage to the generator adequacy of power systems. To achieve a variety of purposes, several control strategies may be utilized in energy storage systems. The purpose of this paper is to study the influence of different energy storage control strategies on the generation adequacy. This paper presents the capacity value of energy storage to quantitatively estimate the contribution of energy storage on the generation adequacy. Four different control strategies are considered in the experimental method to study the capacity value of energy storage. Finally, the analysis of the influence factors on the capacity value under different control strategies is given.

Optimal subhourly electricity resource dispatch under multiple price signals with high renewable generation availability

DOE PAGES

Chassin, David P.; Behboodi, Sahand; Djilali, Ned

2018-01-28

This article proposes a system-wide optimal resource dispatch strategy that enables a shift from a primarily energy cost-based approach, to a strategy using simultaneous price signals for energy, power and ramping behavior. A formal method to compute the optimal sub-hourly power trajectory is derived for a system when the price of energy and ramping are both significant. Optimal control functions are obtained in both time and frequency domains, and a discrete-time solution suitable for periodic feedback control systems is presented. The method is applied to North America Western Interconnection for the planning year 2024, and it is shown that anmore » optimal dispatch strategy that simultaneously considers both the cost of energy and the cost of ramping leads to significant cost savings in systems with high levels of renewable generation: the savings exceed 25% of the total system operating cost for a 50% renewables scenario.« less

Optimal subhourly electricity resource dispatch under multiple price signals with high renewable generation availability

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

Chassin, David P.; Behboodi, Sahand; Djilali, Ned

This article proposes a system-wide optimal resource dispatch strategy that enables a shift from a primarily energy cost-based approach, to a strategy using simultaneous price signals for energy, power and ramping behavior. A formal method to compute the optimal sub-hourly power trajectory is derived for a system when the price of energy and ramping are both significant. Optimal control functions are obtained in both time and frequency domains, and a discrete-time solution suitable for periodic feedback control systems is presented. The method is applied to North America Western Interconnection for the planning year 2024, and it is shown that anmore » optimal dispatch strategy that simultaneously considers both the cost of energy and the cost of ramping leads to significant cost savings in systems with high levels of renewable generation: the savings exceed 25% of the total system operating cost for a 50% renewables scenario.« less

Computer simulation of surface and film processes

NASA Technical Reports Server (NTRS)

Tiller, W. A.; Halicioglu, M. T.

1983-01-01

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed.

Koopmans' theorem in the Hartree-Fock method. General formulation

NASA Astrophysics Data System (ADS)

Plakhutin, Boris N.

2018-03-01

This work presents a general formulation of Koopmans' theorem (KT) in the Hartree-Fock (HF) method which is applicable to molecular and atomic systems with arbitrary orbital occupancies and total electronic spin including orbitally degenerate (OD) systems. The new formulation is based on the full set of variational conditions imposed upon the HF orbitals by the variational principle for the total energy and the conditions imposed by KT on the orbitals of an ionized electronic shell [B. N. Plakhutin and E. R. Davidson, J. Chem. Phys. 140, 014102 (2014)]. Based on these conditions, a general form of the restricted open-shell HF method is developed, whose eigenvalues (orbital energies) obey KT for the whole energy spectrum. Particular attention is paid to the treatment of OD systems, for which the new method gives a number of unexpected results. For example, the present method gives four different orbital energies for the triply degenerate atomic level 2p in the second row atoms B to F. Based on both KT conditions and a parallel treatment of atoms B to F within a limited configuration interaction approach, we prove that these four orbital energies, each of which is triply degenerate, are related via KT to the energies of different spin-dependent ionization and electron attachment processes (2p)N → (2p ) N ±1. A discussion is also presented of specific limitations of the validity of KT in the HF method which arise in OD systems. The practical applicability of the theory is verified by comparing KT estimates of the ionization potentials I2s and I2p for the second row open-shell atoms Li to F with the relevant experimental data.

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

Leng, Shuai; Yu, Lifeng; Wang, Jia

Purpose: Our purpose was to reduce image noise in spectral CT by exploiting data redundancies in the energy domain to allow flexible selection of the number, width, and location of the energy bins. Methods: Using a variety of spectral CT imaging methods, conventional filtered backprojection (FBP) reconstructions were performed and resulting images were compared to those processed using a Local HighlY constrained backPRojection Reconstruction (HYPR-LR) algorithm. The mean and standard deviation of CT numbers were measured within regions of interest (ROIs), and results were compared between FBP and HYPR-LR. For these comparisons, the following spectral CT imaging methods were used:(i)more » numerical simulations based on a photon-counting, detector-based CT system, (ii) a photon-counting, detector-based micro CT system using rubidium and potassium chloride solutions, (iii) a commercial CT system equipped with integrating detectors utilizing tube potentials of 80, 100, 120, and 140 kV, and (iv) a clinical dual-energy CT examination. The effects of tube energy and energy bin width were evaluated appropriate to each CT system. Results: The mean CT number in each ROI was unchanged between FBP and HYPR-LR images for each of the spectral CT imaging scenarios, irrespective of bin width or tube potential. However, image noise, as represented by the standard deviation of CT numbers in each ROI, was reduced by 36%-76%. In all scenarios, image noise after HYPR-LR algorithm was similar to that of composite images, which used all available photons. No difference in spatial resolution was observed between HYPR-LR processing and FBP. Dual energy patient data processed using HYPR-LR demonstrated reduced noise in the individual, low- and high-energy images, as well as in the material-specific basis images. Conclusions: Noise reduction can be accomplished for spectral CT by exploiting data redundancies in the energy domain. HYPR-LR is a robust method for reducing image noise in a variety of spectral CT imaging systems without losing spatial resolution or CT number accuracy. This method improves the flexibility to select energy bins in the manner that optimizes material identification and separation without paying the penalty of increased image noise or its corollary, increased patient dose.« less

Cooling apparatus and method

DOEpatents

Mayes, James C [Sugar Land, TX

2009-05-05

A device and method provide for cooling of a system having an energy source, one or more devices that actively consume energy, and one or more devices that generate heat. The device may include one or more thermoelectric coolers ("TECs") in conductive engagement with at least one of the heat-generating devices, and an energy diverter for diverting at least a portion of the energy from the energy source that is not consumed by the active energy-consuming devices to the TECs.

Optimal control of Formula One car energy recovery systems

NASA Astrophysics Data System (ADS)

Limebeer, D. J. N.; Perantoni, G.; Rao, A. V.

2014-10-01

The utility of orthogonal collocation methods in the solution of optimal control problems relating to Formula One racing is demonstrated. These methods can be used to optimise driver controls such as the steering, braking and throttle usage, and to optimise vehicle parameters such as the aerodynamic down force and mass distributions. Of particular interest is the optimal usage of energy recovery systems (ERSs). Contemporary kinetic energy recovery systems are studied and compared with future hybrid kinetic and thermal/heat ERSs known as ERS-K and ERS-H, respectively. It is demonstrated that these systems, when properly controlled, can produce contemporary lap time using approximately two-thirds of the fuel required by earlier generation (2013 and prior) vehicles.

Energy Management in Smart Cities Based on Internet of Things: Peak Demand Reduction and Energy Savings.

PubMed

Mahapatra, Chinmaya; Moharana, Akshaya Kumar; Leung, Victor C M

2017-12-05

Around the globe, innovation with integrating information and communication technologies (ICT) with physical infrastructure is a top priority for governments in pursuing smart, green living to improve energy efficiency, protect the environment, improve the quality of life, and bolster economy competitiveness. Cities today faces multifarious challenges, among which energy efficiency of homes and residential dwellings is a key requirement. Achieving it successfully with the help of intelligent sensors and contextual systems would help build smart cities of the future. In a Smart home environment Home Energy Management plays a critical role in finding a suitable and reliable solution to curtail the peak demand and achieve energy conservation. In this paper, a new method named as Home Energy Management as a Service (HEMaaS) is proposed which is based on neural network based Q -learning algorithm. Although several attempts have been made in the past to address similar problems, the models developed do not cater to maximize the user convenience and robustness of the system. In this paper, authors have proposed an advanced Neural Fitted Q -learning method which is self-learning and adaptive. The proposed method provides an agile, flexible and energy efficient decision making system for home energy management. A typical Canadian residential dwelling model has been used in this paper to test the proposed method. Based on analysis, it was found that the proposed method offers a fast and viable solution to reduce the demand and conserve energy during peak period. It also helps reducing the carbon footprint of residential dwellings. Once adopted, city blocks with significant residential dwellings can significantly reduce the total energy consumption by reducing or shifting their energy demand during peak period. This would definitely help local power distribution companies to optimize their resources and keep the tariff low due to curtailment of peak demand.

Energy Management in Smart Cities Based on Internet of Things: Peak Demand Reduction and Energy Savings

PubMed Central

Moharana, Akshaya Kumar

2017-01-01

Around the globe, innovation with integrating information and communication technologies (ICT) with physical infrastructure is a top priority for governments in pursuing smart, green living to improve energy efficiency, protect the environment, improve the quality of life, and bolster economy competitiveness. Cities today faces multifarious challenges, among which energy efficiency of homes and residential dwellings is a key requirement. Achieving it successfully with the help of intelligent sensors and contextual systems would help build smart cities of the future. In a Smart home environment Home Energy Management plays a critical role in finding a suitable and reliable solution to curtail the peak demand and achieve energy conservation. In this paper, a new method named as Home Energy Management as a Service (HEMaaS) is proposed which is based on neural network based Q-learning algorithm. Although several attempts have been made in the past to address similar problems, the models developed do not cater to maximize the user convenience and robustness of the system. In this paper, authors have proposed an advanced Neural Fitted Q-learning method which is self-learning and adaptive. The proposed method provides an agile, flexible and energy efficient decision making system for home energy management. A typical Canadian residential dwelling model has been used in this paper to test the proposed method. Based on analysis, it was found that the proposed method offers a fast and viable solution to reduce the demand and conserve energy during peak period. It also helps reducing the carbon footprint of residential dwellings. Once adopted, city blocks with significant residential dwellings can significantly reduce the total energy consumption by reducing or shifting their energy demand during peak period. This would definitely help local power distribution companies to optimize their resources and keep the tariff low due to curtailment of peak demand. PMID:29206159

49 CFR Appendix B to Part 238 - Test Methods and Performance Criteria for the Flammability and Smoke Emission Characteristics of...

Code of Federal Regulations, 2012 CFR

2012-10-01

... Flammability of Flexible Cellular Materials Using a Radiant Heat Energy Source. (v) ASTM E 119-00a, Standard... Method for Surface Flammability of Materials Using a Radiant Heat Energy Source. (vii) ASTM E 648-00, Standard Test Method for Critical Radiant Flux of Floor-Covering Systems Using a Radiant Heat Energy Source...

49 CFR Appendix B to Part 238 - Test Methods and Performance Criteria for the Flammability and Smoke Emission Characteristics of...

Code of Federal Regulations, 2013 CFR

2013-10-01

... Flammability of Flexible Cellular Materials Using a Radiant Heat Energy Source. (v) ASTM E 119-00a, Standard... Method for Surface Flammability of Materials Using a Radiant Heat Energy Source. (vii) ASTM E 648-00, Standard Test Method for Critical Radiant Flux of Floor-Covering Systems Using a Radiant Heat Energy Source...

49 CFR Appendix B to Part 238 - Test Methods and Performance Criteria for the Flammability and Smoke Emission Characteristics of...

Code of Federal Regulations, 2011 CFR

2011-10-01

... Flammability of Flexible Cellular Materials Using a Radiant Heat Energy Source. (v) ASTM E 119-00a, Standard... Method for Surface Flammability of Materials Using a Radiant Heat Energy Source. (vii) ASTM E 648-00, Standard Test Method for Critical Radiant Flux of Floor-Covering Systems Using a Radiant Heat Energy Source...

49 CFR Appendix B to Part 238 - Test Methods and Performance Criteria for the Flammability and Smoke Emission Characteristics of...

Code of Federal Regulations, 2014 CFR

2014-10-01

... Flammability of Flexible Cellular Materials Using a Radiant Heat Energy Source. (v) ASTM E 119-00a, Standard... Method for Surface Flammability of Materials Using a Radiant Heat Energy Source. (vii) ASTM E 648-00, Standard Test Method for Critical Radiant Flux of Floor-Covering Systems Using a Radiant Heat Energy Source...

Measuring Evapotranspiration of five Alley Cropping systems in Germany using the Eddy-Covariance- and Bowen-Ratio Energy-Balance methods

NASA Astrophysics Data System (ADS)

Markwitz, Christian; Knohl, Alexander; Siebicke, Lukas

2017-04-01

The inclusion of trees into the agricultural landscape of Europe is gaining popularity as a source for energy production. Fast growing tree species such as poplar or willow are included as short rotation coppice or alley cropping systems, which consist of tree alleys interleaved by annual rotating crops or perennial grasslands. Estimating turbulent fluxes of those systems using the eddy-covariance- (ECEB) and bowen-ratio energy-balance (BREB) method is challenging due to the methods limitation to horizontally homogeneous terrain and steady state conditions. As the conditions are not fulfilled for those systems the energy-balance is commonly not fully closed, with the non-closure being site specific. An underestimation of measured heat fluxes leads to an overestimation of the latent heat fluxes inferred from the ECEB method. The aim of our study is to 1) quantify the site specific non-closure of the energy-balance and 2) characterize the performance of both methods, compared to direct eddy-covariance measurements using a high frequency infra-red gas analyzer (LI-7200, Licor Inc.). To assess continuous evapotranspiration (ET) rates on a 30-minute time scale we installed a combined ECEB and BREB system at five alley cropping and five agricultural reference sites across Germany. For time periods of four weeks we performed direct eddy covariance flux measurements for H2O and CO2 over one crop- and one grassland alley cropping- and their respective reference systems during the growing season of 2016. We found a non-closure between 21 and 26 % for all sites, considering all day- and night-time data. The residual energy was highest during the morning and lowest in the afternoon. Related to that the energy-balance ratio (EBR), i.e. the ratio between the turbulent heat fluxes and available energy, was below one in the morning hours and increased slightly during the day up to 1.8, until the EBR decreased sharply after sunset. The EBR correlated to the daily cycle of solar radiation, the main driver of turbulent fluxes. Corresponding, we found an increasing EBR with increasing friction velocity, indicating, that under turbulent condition the energy-balance closure improves. Further, we found that the turbulent fluxes estimated by the BREB method compared well with direct eddy-covariance measurements and that the accuracy improved with increasing sensor distance. We conclude, when calculating ET rates on a 30-minute time scale using the ECEB method the site specific non-closure should be assessed beforehand by eddy-covariance. In the current study, ignoring the non-closure would have lead to an overestimation of the latent heat flux of about 25 % for the ECEB method. For a longer averaging period of one day the overestimation was reduced to less than 5 %.

Systems and methods for compensating for electrical converter nonlinearities

DOEpatents

Perisic, Milun; Ransom, Ray M.; Kajouke, Lateef A.

2013-06-18

Systems and methods are provided for delivering energy from an input interface to an output interface. An electrical system includes an input interface, an output interface, an energy conversion module coupled between the input interface and the output interface, and a control module. The control module determines a duty cycle control value for operating the energy conversion module to produce a desired voltage at the output interface. The control module determines an input power error at the input interface and adjusts the duty cycle control value in a manner that is influenced by the input power error, resulting in a compensated duty cycle control value. The control module operates switching elements of the energy conversion module to deliver energy to the output interface with a duty cycle that is influenced by the compensated duty cycle control value.

Immunity-Based Optimal Estimation Approach for a New Real Time Group Elevator Dynamic Control Application for Energy and Time Saving

PubMed Central

Baygin, Mehmet; Karakose, Mehmet

2013-01-01

Nowadays, the increasing use of group elevator control systems owing to increasing building heights makes the development of high-performance algorithms necessary in terms of time and energy saving. Although there are many studies in the literature about this topic, they are still not effective enough because they are not able to evaluate all features of system. In this paper, a new approach of immune system-based optimal estimate is studied for dynamic control of group elevator systems. The method is mainly based on estimation of optimal way by optimizing all calls with genetic, immune system and DNA computing algorithms, and it is evaluated with a fuzzy system. The system has a dynamic feature in terms of the situation of calls and the option of the most appropriate algorithm, and it also adaptively works in terms of parameters such as the number of floors and cabins. This new approach which provides both time and energy saving was carried out in real time. The experimental results comparatively demonstrate the effects of method. With dynamic and adaptive control approach in this study carried out, a significant progress on group elevator control systems has been achieved in terms of time and energy efficiency according to traditional methods. PMID:23935433

Computational screening of biomolecular adsorption and self-assembly on nanoscale surfaces.

PubMed

Heinz, Hendrik

2010-05-01

The quantification of binding properties of ions, surfactants, biopolymers, and other macromolecules to nanometer-scale surfaces is often difficult experimentally and a recurring challenge in molecular simulation. A simple and computationally efficient method is introduced to compute quantitatively the energy of adsorption of solute molecules on a given surface. Highly accurate summation of Coulomb energies as well as precise control of temperature and pressure is required to extract the small energy differences in complex environments characterized by a large total energy. The method involves the simulation of four systems, the surface-solute-solvent system, the solute-solvent system, the solvent system, and the surface-solvent system under consideration of equal molecular volumes of each component under NVT conditions using standard molecular dynamics or Monte Carlo algorithms. Particularly in chemically detailed systems including thousands of explicit solvent molecules and specific concentrations of ions and organic solutes, the method takes into account the effect of complex nonbond interactions and rotational isomeric states on the adsorption behavior on surfaces. As a numerical example, the adsorption of a dodecapeptide on the Au {111} and mica {001} surfaces is described in aqueous solution. Copyright 2009 Wiley Periodicals, Inc.

Evaluation of energy in heated water vapor for the application of lung volume reduction in patients with severe emphysema.

PubMed

Henne, Erik; Kesten, Steven; Herth, Felix J F

2013-01-01

A method of achieving endoscopic lung volume reduction for emphysema has been developed that utilizes precise amounts of thermal energy in the form of water vapor to ablate lung tissue. This study evaluates the energy output and implications of the commercial InterVapor system and compares it to the clinical trial system. Two methods of evaluating the energy output of the vapor systems were used, a direct energy measurement and a quantification of resultant thermal profile in a lung model. Direct measurement of total energy and the component attributable to gas (vapor energy) was performed by condensing vapor in a water bath and measuring the temperature and mass changes. Infrared images of a lung model were taken after vapor delivery. The images were quantified to characterize the thermal profile. The total energy and vapor energy of the InterVapor system was measured at various dose levels and compared to the clinical trial system at a dose of 10.0 cal/g. An InterVapor dose of 8.5 cal/g was found to have the most similar vapor energy output with the smallest associated reduction in total energy. This was supported by characterization of the thermal profile in the lung model that demonstrated the profile of InterVapor at 8.5 cal/g to not exceed the profile of the clinical trial system. Considering both total energy and vapor energy is important during the development of clinical vapor applications. For InterVapor, a closer study of both energy types justified a reduced target vapor-dosing range for lung volume reduction. The clinical implication is a potential improvement for benefiting the risk profile. Copyright © 2013 S. Karger AG, Basel.

Design of a Solar Tracking System Using the Brightest Region in the Sky Image Sensor

PubMed Central

Wei, Ching-Chuan; Song, Yu-Chang; Chang, Chia-Chi; Lin, Chuan-Bi

2016-01-01

Solar energy is certainly an energy source worth exploring and utilizing because of the environmental protection it offers. However, the conversion efficiency of solar energy is still low. If the photovoltaic panel perpendicularly tracks the sun, the solar energy conversion efficiency will be improved. In this article, we propose an innovative method to track the sun using an image sensor. In our method, it is logical to assume the points of the brightest region in the sky image representing the location of the sun. Then, the center of the brightest region is assumed to be the solar-center, and is mathematically calculated using an embedded processor (Raspberry Pi). Finally, the location information on the sun center is sent to the embedded processor to control two servo motors that are capable of moving both horizontally and vertically to track the sun. In comparison with the existing sun tracking methods using image sensors, such as the Hough transform method, our method based on the brightest region in the sky image remains accurate under conditions such as a sunny day and building shelter. The practical sun tracking system using our method was implemented and tested. The results reveal that the system successfully captured the real sun center in most weather conditions, and the servo motor system was able to direct the photovoltaic panel perpendicularly to the sun center. In addition, our system can be easily and practically integrated, and can operate in real-time. PMID:27898002

Design of a Solar Tracking System Using the Brightest Region in the Sky Image Sensor.

PubMed

Wei, Ching-Chuan; Song, Yu-Chang; Chang, Chia-Chi; Lin, Chuan-Bi

2016-11-25

Solar energy is certainly an energy source worth exploring and utilizing because of the environmental protection it offers. However, the conversion efficiency of solar energy is still low. If the photovoltaic panel perpendicularly tracks the sun, the solar energy conversion efficiency will be improved. In this article, we propose an innovative method to track the sun using an image sensor. In our method, it is logical to assume the points of the brightest region in the sky image representing the location of the sun. Then, the center of the brightest region is assumed to be the solar-center, and is mathematically calculated using an embedded processor (Raspberry Pi). Finally, the location information on the sun center is sent to the embedded processor to control two servo motors that are capable of moving both horizontally and vertically to track the sun. In comparison with the existing sun tracking methods using image sensors, such as the Hough transform method, our method based on the brightest region in the sky image remains accurate under conditions such as a sunny day and building shelter. The practical sun tracking system using our method was implemented and tested. The results reveal that the system successfully captured the real sun center in most weather conditions, and the servo motor system was able to direct the photovoltaic panel perpendicularly to the sun center. In addition, our system can be easily and practically integrated, and can operate in real-time.

Energy: A continuing bibliography with indexes, February 1975. [solar energy, energy conversion

NASA Technical Reports Server (NTRS)

1975-01-01

Reports, articles, and other documents introduced into the NASA scientific and technical information system from July 1, 1974 through September 30, 1974 are cited. Regional, national, and international energy systems; research and development on fuels and other sources of energy; energy conversion, transport, transmission, distribution, and storage, with emphasis on the use of hydrogen and solar energy are included along with methods of locating or using new energy resources. Emphasis is placed on energy for heating, lighting, and powering aircraft, surface vehicles, or other machinery.

Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

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

Lin, Lin; Shao, Sihong; E, Weinan

2012-11-06

We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing iterative techniques for solving the Kohn-Sham systems cannot be efficiently applied to solve the DKS systems. The key component of our method is a novel filtering step (F) which acts as a preconditioner in the framework of the locally optimal block preconditioned conjugate gradient (LOBPCG) method. The resulting method, dubbed the LOBPCG-F method, is able to compute the desired eigenvalues and eigenvectors in the positive energy band without computing any state in the negative energy band. The LOBPCG-F method introduces mild extra cost compared to the standard LOBPCG method and can be easily implemented. We demonstrate our method in the pseudopotential framework with a planewave basis set which naturally satisfies the kinetic balance prescription. Numerical results for Ptmore » $$_{2}$$, Au$$_{2}$$, TlF, and Bi$$_{2}$$Se$$_{3}$$ indicate that the LOBPCG-F method is a robust and efficient method for investigating the relativistic effect in systems containing heavy elements.« less

Power control and management of the grid containing largescale wind power systems

NASA Astrophysics Data System (ADS)

Aula, Fadhil Toufick

The ever increasing demand for electricity has driven many countries toward the installation of new generation facilities. However, concerns such as environmental pollution and global warming issues, clean energy sources, high costs associated with installation of new conventional power plants, and fossil fuels depletion have created many interests in finding alternatives to conventional fossil fuels for generating electricity. Wind energy is one of the most rapidly growing renewable power sources and wind power generations have been increasingly demanded as an alternative to the conventional fossil fuels. However, wind power fluctuates due to variation of wind speed. Therefore, large-scale integration of wind energy conversion systems is a threat to the stability and reliability of utility grids containing these systems. They disturb the balance between power generation and consumption, affect the quality of the electricity, and complicate load sharing and load distribution managing and planning. Overall, wind power systems do not help in providing any services such as operating and regulating reserves to the power grid. In order to resolve these issues, research has been conducted in utilizing weather forecasting data to improve the performance of the wind power system, reduce the influence of the fluctuations, and plan power management of the grid containing large-scale wind power systems which consist of doubly-fed induction generator based energy conversion system. The aims of this research, my dissertation, are to provide new methods for: smoothing the output power of the wind power systems and reducing the influence of their fluctuations, power managing and planning of a grid containing these systems and other conventional power plants, and providing a new structure of implementing of latest microprocessor technology for controlling and managing the operation of the wind power system. In this research, in order to reduce and smooth the fluctuations, two methods are presented. The first method is based on a de-loaded technique while the other method is based on utilizing multiple storage facilities. The de-loaded technique is based on characteristics of the power of a wind turbine and estimation of the generated power according to weather forecasting data. The technique provides a reference power by which the wind power system will operate and generate a smooth power. In contrast, utilizing storage facilities will allow the wind power system to operate at its maximum tracking power points' strategy. Two types of energy storages are considered in this research, battery energy storage system (BESS) and pumped-hydropower storage system (PHSS), to suppress the output fluctuations and to support the wind power system to follow the system load demands. Furthermore, this method provides the ability to store energy when there is a surplus of the generated power and to reuse it when there is a shortage of power generation from wind power systems. Both methods are new in terms of utilizing of the techniques and wind speed data. A microprocessor embedded system using an IntelRTM Atom(TM) processor is presented for controlling the wind power system and for providing the remote communication for enhancing the operation of the individual wind power system in a wind farm. The embedded system helps the wind power system to respond and to follow the commands of the central control of the power system. Moreover, it enhances the performance of the wind power system through self-managing, self-functioning, and self-correcting. Finally, a method of system power management and planning is modeled and studied for a grid containing large-scale wind power systems. The method is based on a new technique through constructing a new load demand curve (NLDC) from merging the estimation of generated power from wind power systems and forecasting of the load. To summarize, the methods and their results presented in this dissertation, enhance the operation of the large-scale wind power systems and reduce their drawbacks on the operation of the power grid.

Systems and methods for energy cost optimization in a building system

DOEpatents

Turney, Robert D.; Wenzel, Michael J.

2016-09-06

Methods and systems to minimize energy cost in response to time-varying energy prices are presented for a variety of different pricing scenarios. A cascaded model predictive control system is disclosed comprising an inner controller and an outer controller. The inner controller controls power use using a derivative of a temperature setpoint and the outer controller controls temperature via a power setpoint or power deferral. An optimization procedure is used to minimize a cost function within a time horizon subject to temperature constraints, equality constraints, and demand charge constraints. Equality constraints are formulated using system model information and system state information whereas demand charge constraints are formulated using system state information and pricing information. A masking procedure is used to invalidate demand charge constraints for inactive pricing periods including peak, partial-peak, off-peak, critical-peak, and real-time.

Method of electric powertrain matching for battery-powered electric cars

NASA Astrophysics Data System (ADS)

Ning, Guobao; Xiong, Lu; Zhang, Lijun; Yu, Zhuoping

2013-05-01

The current match method of electric powertrain still makes use of longitudinal dynamics, which can't realize maximum capacity for on-board energy storage unit and can't reach lowest equivalent fuel consumption as well. Another match method focuses on improving available space considering reasonable layout of vehicle to enlarge rated energy capacity for on-board energy storage unit, which can keep the longitudinal dynamics performance almost unchanged but can't reach lowest fuel consumption. Considering the characteristics of driving motor, method of electric powertrain matching utilizing conventional longitudinal dynamics for driving system and cut-and-try method for energy storage system is proposed for passenger cars converted from traditional ones. Through combining the utilization of vehicle space which contributes to the on-board energy amount, vehicle longitudinal performance requirements, vehicle equivalent fuel consumption level, passive safety requirements and maximum driving range requirement together, a comprehensive optimal match method of electric powertrain for battery-powered electric vehicle is raised. In simulation, the vehicle model and match method is built in Matlab/simulink, and the Environmental Protection Agency (EPA) Urban Dynamometer Driving Schedule (UDDS) is chosen as a test condition. The simulation results show that 2.62% of regenerative energy and 2% of energy storage efficiency are increased relative to the traditional method. The research conclusions provide theoretical and practical solutions for electric powertrain matching for modern battery-powered electric vehicles especially for those converted from traditional ones, and further enhance dynamics of electric vehicles.

An Energy Model of Place Cell Network in Three Dimensional Space.

PubMed

Wang, Yihong; Xu, Xuying; Wang, Rubin

2018-01-01

Place cells are important elements in the spatial representation system of the brain. A considerable amount of experimental data and classical models are achieved in this area. However, an important question has not been addressed, which is how the three dimensional space is represented by the place cells. This question is preliminarily surveyed by energy coding method in this research. Energy coding method argues that neural information can be expressed by neural energy and it is convenient to model and compute for neural systems due to the global and linearly addable properties of neural energy. Nevertheless, the models of functional neural networks based on energy coding method have not been established. In this work, we construct a place cell network model to represent three dimensional space on an energy level. Then we define the place field and place field center and test the locating performance in three dimensional space. The results imply that the model successfully simulates the basic properties of place cells. The individual place cell obtains unique spatial selectivity. The place fields in three dimensional space vary in size and energy consumption. Furthermore, the locating error is limited to a certain level and the simulated place field agrees to the experimental results. In conclusion, this is an effective model to represent three dimensional space by energy method. The research verifies the energy efficiency principle of the brain during the neural coding for three dimensional spatial information. It is the first step to complete the three dimensional spatial representing system of the brain, and helps us further understand how the energy efficiency principle directs the locating, navigating, and path planning function of the brain.

Efficient free energy calculations of quantum systems through computer simulations

NASA Astrophysics Data System (ADS)

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

2009-03-01

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

Efficient and Unbiased Sampling of Biomolecular Systems in the Canonical Ensemble: A Review of Self-Guided Langevin Dynamics

PubMed Central

Wu, Xiongwu; Damjanovic, Ana; Brooks, Bernard R.

2013-01-01

This review provides a comprehensive description of the self-guided Langevin dynamics (SGLD) and the self-guided molecular dynamics (SGMD) methods and their applications. Example systems are included to provide guidance on optimal application of these methods in simulation studies. SGMD/SGLD has enhanced ability to overcome energy barriers and accelerate rare events to affordable time scales. It has been demonstrated that with moderate parameters, SGLD can routinely cross energy barriers of 20 kT at a rate that molecular dynamics (MD) or Langevin dynamics (LD) crosses 10 kT barriers. The core of these methods is the use of local averages of forces and momenta in a direct manner that can preserve the canonical ensemble. The use of such local averages results in methods where low frequency motion “borrows” energy from high frequency degrees of freedom when a barrier is approached and then returns that excess energy after a barrier is crossed. This self-guiding effect also results in an accelerated diffusion to enhance conformational sampling efficiency. The resulting ensemble with SGLD deviates in a small way from the canonical ensemble, and that deviation can be corrected with either an on-the-fly or a post processing reweighting procedure that provides an excellent canonical ensemble for systems with a limited number of accelerated degrees of freedom. Since reweighting procedures are generally not size extensive, a newer method, SGLDfp, uses local averages of both momenta and forces to preserve the ensemble without reweighting. The SGLDfp approach is size extensive and can be used to accelerate low frequency motion in large systems, or in systems with explicit solvent where solvent diffusion is also to be enhanced. Since these methods are direct and straightforward, they can be used in conjunction with many other sampling methods or free energy methods by simply replacing the integration of degrees of freedom that are normally sampled by MD or LD. PMID:23913991

Comment on: "Split kinetic energy method for quantum systems with competing potentials", Ann. Phys. 327 (2012) 2061

NASA Astrophysics Data System (ADS)

Fernández, Francisco M.

2018-06-01

We show that the kinetic-energy partition method (KEP) is a particular example of the well known Rayleigh-Ritz variational method. We discuss some of the KEP results and compare them with those coming from other approaches.

Metal oxide-carbon composites for energy conversion and storage

NASA Astrophysics Data System (ADS)

Perera, Sanjaya Dulip

The exponential growth of the population and the associated energy demand requires the development of new materials for sustainable energy conversion and storage. Expanding the use of renewable energy sources to generate electricity is still not sufficient enough to fulfill the current energy demand. Electricity generation by wind and solar is the most promising alternative energy resources for coal and oil. The first part of the dissertation addresses an alternative method for preparing TiO2 nanotube based photoanodes for DSSCs. This would involve smaller diameter TiO2 nanotubes (˜10 nm), instead of nanoparticles or electrochemically grown larger nanotubes. Moreover, TiO2 nanotube-graphene based photocatalysts were developed to treat model pollutants. In the second part of this dissertation, the development of electrical energy storage systems, which provide high storage capacity and power output using low cost materials are discussed. Among different types of energy storage systems, batteries are the most convenient method to store electrical energy. However, the low power performance of batteries limits the application in different types of electrical energy storage. The development of electrical energy storage systems, which provide high storage capacity and power output using low cost materials are discussed.

Subtleties in Energy Calculations in the Image Method

ERIC Educational Resources Information Center

Taddei, M. M.; Mendes, T. N. C.; Farina, C.

2009-01-01

In this pedagogical work, we point out a subtle mistake that can be made by undergraduate or graduate students in the computation of the electrostatic energy of a system containing charges and perfect conductors if they naively use the image method. Specifically, we show that naive expressions for the electrostatic energy for these systems…

An Efficient Power Regeneration and Drive Method of an Induction Motor by Means of an Optimal Torque Derived by Variational Method

NASA Astrophysics Data System (ADS)

Inoue, Kaoru; Ogata, Kenji; Kato, Toshiji

When the motor speed is reduced by using a regenerative brake, the mechanical energy of rotation is converted to the electrical energy. When the regenerative torque is large, the corresponding current increases so that the copper loss also becomes large. On the other hand, the damping effect of rotation increases according to the time elapse when the regenerative torque is small. In order to use the limited energy effectively, an optimal regenerative torque should be discussed in order to regenerate electrical energy as much as possible. This paper proposes a design methodology of a regenerative torque for an induction motor to maximize the regenerative electric energy by means of the variational method. Similarly, an optimal torque for acceleration is derived in order to minimize the energy to drive. Finally, an efficient motor drive system with the proposed optimal torque and the power storage system stabilizing the DC link voltage will be proposed. The effectiveness of the proposed methods are illustrated by both simulations and experiments.

Simple and exact approach to the electronic polarization effect on the solvation free energy: formulation for quantum-mechanical/molecular-mechanical system and its applications to aqueous solutions.

PubMed

Takahashi, Hideaki; Omi, Atsushi; Morita, Akihiro; Matubayasi, Nobuyuki

2012-06-07

We present a simple and exact numerical approach to compute the free energy contribution δμ in solvation due to the electron density polarization and fluctuation of a quantum-mechanical solute in the quantum-mechanical/molecular-mechanical (QM/MM) simulation combined with the theory of the energy representation (QM/MM-ER). Since the electron density fluctuation is responsible for the many-body QM-MM interactions, the standard version of the energy representation method cannot be applied directly. Instead of decomposing the QM-MM polarization energy into the pairwise additive and non-additive contributions, we take sum of the polarization energies in the QM-MM interaction and adopt it as a new energy coordinate for the method of energy representation. Then, it is demonstrated that the free energy δμ can be exactly formulated in terms of the energy distribution functions for the solution and reference systems with respect to this energy coordinate. The benchmark tests were performed to examine the numerical efficiency of the method with respect to the changes in the individual properties of the solvent and the solute. Explicitly, we computed the solvation free energy of a QM water molecule in ambient and supercritical water, and also the free-energy change associated with the isomerization reaction of glycine from neutral to zwitterionic structure in aqueous solution. In all the systems examined, it was demonstrated that the computed free energy δμ agrees with the experimental value, irrespective of the choice of the reference electron density of the QM solute. The present method was also applied to a prototype reaction of adenosine 5'-triphosphate hydrolysis where the effect of the electron density fluctuation is substantial due to the excess charge. It was demonstrated that the experimental free energy of the reaction has been accurately reproduced with the present approach.

Functionally-fitted energy-preserving integrators for Poisson systems

NASA Astrophysics Data System (ADS)

Wang, Bin; Wu, Xinyuan

2018-07-01

In this paper, a new class of energy-preserving integrators is proposed and analysed for Poisson systems by using functionally-fitted technology. The integrators exactly preserve energy and have arbitrarily high order. It is shown that the proposed approach allows us to obtain the energy-preserving methods derived in [12] by Cohen and Hairer (2011) and in [1] by Brugnano et al. (2012) for Poisson systems. Furthermore, we study the sufficient conditions that ensure the existence of a unique solution and discuss the order of the new energy-preserving integrators.

A comparison of partially specular radiosity and ray tracing for room acoustics modeling

NASA Astrophysics Data System (ADS)

Beamer, C. Walter; Muehleisen, Ralph T.

2005-04-01

Partially specular (PS) radiosity is an extended form of the general radiosity method. Acoustic radiosity is a form of bulk transfer of radiant acoustic energy. This bulk transfer is accomplished through a system of energy balance equations that relate the bulk energy transfer of each surface in the system to all other surfaces in the system. Until now acoustic radiosity has been limited to modeling only diffuse surface reflection. The new PS acoustic radiosity method can model all real surface types, diffuse, specular and everything in between. PS acoustic radiosity also models all real source types and distributions, not just point sources. The results of the PS acoustic radiosity method are compared to those of well known ray tracing programs. [Work supported by NSF.

Computing and Systems Applied in Support of Coordinated Energy, Environmental, and Climate Planning

EPA Science Inventory

This talk focuses on how Dr. Loughlin is applying Computing and Systems models, tools and methods to more fully understand the linkages among energy systems, environmental quality, and climate change. Dr. Loughlin will highlight recent and ongoing research activities, including: ...

Nuclear Hybrid Energy Systems Initial Integrated Case Study Development and Analysis

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

Harrison, Thomas J.; Greenwood, Michael Scott

The US Department of Energy Office of Nuclear Energy established the Nuclear Hybrid Energy System (NHES) project to develop a systematic, rigorous, technically accurate set of methods to model, analyze, and optimize the integration of dispatchable nuclear, fossil, and electric storage with an industrial customer. Ideally, the optimized integration of these systems will provide economic and operational benefits to the overall system compared to independent operation, and it will enhance the stability and responsiveness of the grid as intermittent, nondispatchable, renewable resources provide a greater share of grid power.

Autonomous Decentralized Voltage Profile Control of Super Distributed Energy System using Multi-agent Technology

NASA Astrophysics Data System (ADS)

Tsuji, Takao; Hara, Ryoichi; Oyama, Tsutomu; Yasuda, Keiichiro

A super distributed energy system is a future energy system in which the large part of its demand is fed by a huge number of distributed generators. At one time some nodes in the super distributed energy system behave as load, however, at other times they behave as generator - the characteristic of each node depends on the customers' decision. In such situation, it is very difficult to regulate voltage profile over the system due to the complexity of power flows. This paper proposes a novel control method of distributed generators that can achieve the autonomous decentralized voltage profile regulation by using multi-agent technology. The proposed multi-agent system employs two types of agent; a control agent and a mobile agent. Control agents generate or consume reactive power to regulate the voltage profile of neighboring nodes and mobile agents transmit the information necessary for VQ-control among the control agents. The proposed control method is tested through numerical simulations.

A virtual-system coupled multicanonical molecular dynamics simulation: Principles and applications to free-energy landscape of protein-protein interaction with an all-atom model in explicit solvent

NASA Astrophysics Data System (ADS)

Higo, Junichi; Umezawa, Koji; Nakamura, Haruki

2013-05-01

We propose a novel generalized ensemble method, a virtual-system coupled multicanonical molecular dynamics (V-McMD), to enhance conformational sampling of biomolecules expressed by an all-atom model in an explicit solvent. In this method, a virtual system, of which physical quantities can be set arbitrarily, is coupled with the biomolecular system, which is the target to be studied. This method was applied to a system of an Endothelin-1 derivative, KR-CSH-ET1, known to form an antisymmetric homodimer at room temperature. V-McMD was performed starting from a configuration in which two KR-CSH-ET1 molecules were mutually distant in an explicit solvent. The lowest free-energy state (the most thermally stable state) at room temperature coincides with the experimentally determined native complex structure. This state was separated to other non-native minor clusters by a free-energy barrier, although the barrier disappeared with elevated temperature. V-McMD produced a canonical ensemble faster than a conventional McMD method.

Cross-frequency and band-averaged response variance prediction in the hybrid deterministic-statistical energy analysis method

NASA Astrophysics Data System (ADS)

Reynders, Edwin P. B.; Langley, Robin S.

2018-08-01

The hybrid deterministic-statistical energy analysis method has proven to be a versatile framework for modeling built-up vibro-acoustic systems. The stiff system components are modeled deterministically, e.g., using the finite element method, while the wave fields in the flexible components are modeled as diffuse. In the present paper, the hybrid method is extended such that not only the ensemble mean and variance of the harmonic system response can be computed, but also of the band-averaged system response. This variance represents the uncertainty that is due to the assumption of a diffuse field in the flexible components of the hybrid system. The developments start with a cross-frequency generalization of the reciprocity relationship between the total energy in a diffuse field and the cross spectrum of the blocked reverberant loading at the boundaries of that field. By making extensive use of this generalization in a first-order perturbation analysis, explicit expressions are derived for the cross-frequency and band-averaged variance of the vibrational energies in the diffuse components and for the cross-frequency and band-averaged variance of the cross spectrum of the vibro-acoustic field response of the deterministic components. These expressions are extensively validated against detailed Monte Carlo analyses of coupled plate systems in which diffuse fields are simulated by randomly distributing small point masses across the flexible components, and good agreement is found.

Capacity value of energy storage considering control strategies

PubMed Central

Luo, Yi

2017-01-01

In power systems, energy storage effectively improves the reliability of the system and smooths out the fluctuations of intermittent energy. However, the installed capacity value of energy storage cannot effectively measure the contribution of energy storage to the generator adequacy of power systems. To achieve a variety of purposes, several control strategies may be utilized in energy storage systems. The purpose of this paper is to study the influence of different energy storage control strategies on the generation adequacy. This paper presents the capacity value of energy storage to quantitatively estimate the contribution of energy storage on the generation adequacy. Four different control strategies are considered in the experimental method to study the capacity value of energy storage. Finally, the analysis of the influence factors on the capacity value under different control strategies is given. PMID:28558027

A Multiple Period Problem in Distributed Energy Management Systems Considering CO2 Emissions

NASA Astrophysics Data System (ADS)

Muroda, Yuki; Miyamoto, Toshiyuki; Mori, Kazuyuki; Kitamura, Shoichi; Yamamoto, Takaya

Consider a special district (group) which is composed of multiple companies (agents), and where each agent responds to an energy demand and has a CO2 emission allowance imposed. A distributed energy management system (DEMS) optimizes energy consumption of a group through energy trading in the group. In this paper, we extended the energy distribution decision and optimal planning problem in DEMSs from a single period problem to a multiple periods one. The extension enabled us to consider more realistic constraints such as demand patterns, the start-up cost, and minimum running/outage times of equipment. At first, we extended the market-oriented programming (MOP) method for deciding energy distribution to the multiple periods problem. The bidding strategy of each agent is formulated by a 0-1 mixed non-linear programming problem. Secondly, we proposed decomposing the problem into a set of single period problems in order to solve it faster. In order to decompose the problem, we proposed a CO2 emission allowance distribution method, called an EP method. We confirmed that the proposed method was able to produce solutions whose group costs were close to lower-bound group costs by computational experiments. In addition, we verified that reduction in computational time was achieved without losing the quality of solutions by using the EP method.

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement

PubMed Central

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-01-01

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro–meso–scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy–enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy–enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates. PMID:28869520

Multi-Scale Low-Entropy Method for Optimizing the Processing Parameters during Automated Fiber Placement.

PubMed

Han, Zhenyu; Sun, Shouzheng; Fu, Hongya; Fu, Yunzhong

2017-09-03

Automated fiber placement (AFP) process includes a variety of energy forms and multi-scale effects. This contribution proposes a novel multi-scale low-entropy method aiming at optimizing processing parameters in an AFP process, where multi-scale effect, energy consumption, energy utilization efficiency and mechanical properties of micro-system could be taken into account synthetically. Taking a carbon fiber/epoxy prepreg as an example, mechanical properties of macro-meso-scale are obtained by Finite Element Method (FEM). A multi-scale energy transfer model is then established to input the macroscopic results into the microscopic system as its boundary condition, which can communicate with different scales. Furthermore, microscopic characteristics, mainly micro-scale adsorption energy, diffusion coefficient entropy-enthalpy values, are calculated under different processing parameters based on molecular dynamics method. Low-entropy region is then obtained in terms of the interrelation among entropy-enthalpy values, microscopic mechanical properties (interface adsorbability and matrix fluidity) and processing parameters to guarantee better fluidity, stronger adsorption, lower energy consumption and higher energy quality collaboratively. Finally, nine groups of experiments are carried out to verify the validity of the simulation results. The results show that the low-entropy optimization method can reduce void content effectively, and further improve the mechanical properties of laminates.

Free-energy landscapes from adaptively biased methods: Application to quantum systems

NASA Astrophysics Data System (ADS)

Calvo, F.

2010-10-01

Several parallel adaptive biasing methods are applied to the calculation of free-energy pathways along reaction coordinates, choosing as a difficult example the double-funnel landscape of the 38-atom Lennard-Jones cluster. In the case of classical statistics, the Wang-Landau and adaptively biased molecular-dynamics (ABMD) methods are both found efficient if multiple walkers and replication and deletion schemes are used. An extension of the ABMD technique to quantum systems, implemented through the path-integral MD framework, is presented and tested on Ne38 against the quantum superposition method.

Designing and visualizing the water-energy-food nexus system

NASA Astrophysics Data System (ADS)

Endo, A.; Kumazawa, T.; Yamada, M.; Kato, T.

2017-12-01

The objective of this study is to design and visualize a water-energy-food nexus system to identify the interrelationships between water-energy-food (WEF) resources and to understand the subsequent complexity of WEF nexus systems holistically, taking an interdisciplinary approach. Object-oriented concepts and ontology engineering methods were applied according to the hypothesis that the chains of changes in linkages between water, energy, and food resources holistically affect the water-energy-food nexus system, including natural and social systems, both temporally and spatially. The water-energy-food nexus system that is developed is significant because it allows us to: 1) visualize linkages between water, energy, and food resources in social and natural systems; 2) identify tradeoffs between these resources; 3) find a way of using resources efficiently or enhancing the synergy between the utilization of different resources; and 4) aid scenario planning using economic tools. The paper also discusses future challenges for applying the developed water-energy-food nexus system in other areas.

Energetics using the single point IMOMO (integrated molecular orbital+molecular orbital) calculations: Choices of computational levels and model system

NASA Astrophysics Data System (ADS)

Svensson, Mats; Humbel, Stéphane; Morokuma, Keiji

1996-09-01

The integrated MO+MO (IMOMO) method, recently proposed for geometry optimization, is tested for accurate single point calculations. The principle idea of the IMOMO method is to reproduce results of a high level MO calculation for a large ``real'' system by dividing it into a small ``model'' system and the rest and applying different levels of MO theory for the two parts. Test examples are the activation barrier of the SN2 reaction of Cl-+alkyl chlorides, the C=C double bond dissociation of olefins and the energy of reaction for epoxidation of benzene. The effects of basis set and method in the lower level calculation as well as the effects of the choice of model system are investigated in detail. The IMOMO method gives an approximation to the high level MO energetics on the real system, in most cases with very small errors, with a small additional cost over the low level calculation. For instance, when the MP2 (Møller-Plesset second-order perturbation) method is used as the lower level method, the IMOMO method reproduces the results of very high level MO method within 2 kcal/mol, with less than 50% of additional computer time, for the first two test examples. When the HF (Hartree-Fock) method is used as the lower level method, it is less accurate and depends more on the choice of model system, though the improvement over the HF energy is still very significant. Thus the IMOMO single point calculation provides a method for obtaining reliable local energetics such as bond energies and activation barriers for a large molecular system.

Direct Energy Conversion Literature Abstracts

DTIC Science & Technology

1962-12-01

1961. are reviewed. Various types of solar power systems are discussed and compar- " Methods are discussed for providing ed with respect to weight...electron gas to and relate to thermoelectric methods ; convert heat to electrical energy with no thermionic, photovoltaic and electro- moving mechanical...Europ.Mach.Rev. 11:20-25,1961. appears most practical source. Direct methods of generating electrical 2853 energy without the use of fossil fuels are Power

A Method to Improve Electron Density Measurement of Cone-Beam CT Using Dual Energy Technique

PubMed Central

Men, Kuo; Dai, Jian-Rong; Li, Ming-Hui; Chen, Xin-Yuan; Zhang, Ke; Tian, Yuan; Huang, Peng; Xu, Ying-Jie

2015-01-01

Purpose. To develop a dual energy imaging method to improve the accuracy of electron density measurement with a cone-beam CT (CBCT) device. Materials and Methods. The imaging system is the XVI CBCT system on Elekta Synergy linac. Projection data were acquired with the high and low energy X-ray, respectively, to set up a basis material decomposition model. Virtual phantom simulation and phantoms experiments were carried out for quantitative evaluation of the method. Phantoms were also scanned twice with the high and low energy X-ray, respectively. The data were decomposed into projections of the two basis material coefficients according to the model set up earlier. The two sets of decomposed projections were used to reconstruct CBCT images of the basis material coefficients. Then, the images of electron densities were calculated with these CBCT images. Results. The difference between the calculated and theoretical values was within 2% and the correlation coefficient of them was about 1.0. The dual energy imaging method obtained more accurate electron density values and reduced the beam hardening artifacts obviously. Conclusion. A novel dual energy CBCT imaging method to calculate the electron densities was developed. It can acquire more accurate values and provide a platform potentially for dose calculation. PMID:26346510

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields.

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

Armas-Perez, Julio C.; Londono-Hurtado, Alejandro; Guzman, Orlando

2015-07-27

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystalmore » droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.« less

Theoretically informed Monte Carlo simulation of liquid crystals by sampling of alignment-tensor fields

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

Armas-Pérez, Julio C.; Londono-Hurtado, Alejandro; Guzmán, Orlando

2015-07-28

A theoretically informed coarse-grained Monte Carlo method is proposed for studying liquid crystals. The free energy functional of the system is described in the framework of the Landau-de Gennes formalism. The alignment field and its gradients are approximated by finite differences, and the free energy is minimized through a stochastic sampling technique. The validity of the proposed method is established by comparing the results of the proposed approach to those of traditional free energy minimization techniques. Its usefulness is illustrated in the context of three systems, namely, a nematic liquid crystal confined in a slit channel, a nematic liquid crystalmore » droplet, and a chiral liquid crystal in the bulk. It is found that for systems that exhibit multiple metastable morphologies, the proposed Monte Carlo method is generally able to identify lower free energy states that are often missed by traditional approaches. Importantly, the Monte Carlo method identifies such states from random initial configurations, thereby obviating the need for educated initial guesses that can be difficult to formulate.« less

Theoretical development and first-principles analysis of strongly correlated systems

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

Liu, Chen

A variety of quantum many-body methods have been developed for studying the strongly correlated electron systems. We have also proposed a computationally efficient and accurate approach, named the correlation matrix renormalization (CMR) method, to address the challenges. The initial implementation of the CMR method is designed for molecules which have theoretical advantages, including small size of system, manifest mechanism and strongly correlation effect such as bond breaking process. The theoretic development and benchmark tests of the CMR method are included in this thesis. Meanwhile, ground state total energy is the most important property of electronic calculations. We also investigated anmore » alternative approach to calculate the total energy, and extended this method for magnetic anisotropy energy (MAE) of ferromagnetic materials. In addition, another theoretical tool, dynamical mean- field theory (DMFT) on top of the DFT , has also been used in electronic structure calculations for an Iridium oxide to study the phase transition, which results from an interplay of the d electrons' internal degrees of freedom.« less

A two-step, fourth-order method with energy preserving properties

NASA Astrophysics Data System (ADS)

Brugnano, Luigi; Iavernaro, Felice; Trigiante, Donato

2012-09-01

We introduce a family of fourth-order two-step methods that preserve the energy function of canonical polynomial Hamiltonian systems. As is the case with linear mutistep and one-leg methods, a prerogative of the new formulae is that the associated nonlinear systems to be solved at each step of the integration procedure have the very same dimension of the underlying continuous problem. The key tools in the new methods are the line integral associated with a conservative vector field (such as the one defined by a Hamiltonian dynamical system) and its discretization obtained by the aid of a quadrature formula. Energy conservation is equivalent to the requirement that the quadrature is exact, which turns out to be always the case in the event that the Hamiltonian function is a polynomial and the degree of precision of the quadrature formula is high enough. The non-polynomial case is also discussed and a number of test problems are finally presented in order to compare the behavior of the new methods to the theoretical results.

Scientific Computation Application Partnerships in Materials and Chemical Sciences, Charge Transfer and Charge Transport in Photoactivated Systems, Developing Electron-Correlated Methods for Excited State Structure and Dynamics in the NWChem Software Suite

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

Cramer, Christopher J.

Charge transfer and charge transport in photoactivated systems are fundamental processes that underlie solar energy capture, solar energy conversion, and photoactivated catalysis, both organometallic and enzymatic. We developed methods, algorithms, and software tools needed for reliable treatment of the underlying physics for charge transfer and charge transport, an undertaking with broad applicability to the goals of the fundamental-interaction component of the Department of Energy Office of Basic Energy Sciences and the exascale initiative of the Office of Advanced Scientific Computing Research.

Solution of D dimensional Dirac equation for coulombic potential using NU method and its thermodynamics properties

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

Cari, C., E-mail: cari@staff.uns.ac.id; Suparmi, A., E-mail: soeparmi@staff.uns.ac.id; Yunianto, M., E-mail: muhtaryunianto@staff.uns.ac.id

2016-02-08

The analytical solution of Ddimensional Dirac equation for Coulombic potential is investigated using Nikiforov-Uvarov method. The D dimensional relativistic energy spectra are obtained from relativistic energy eigenvalue equation by using Mat Lab software.The corresponding D dimensional radial wave functions are formulated in the form of generalized Jacobi and Laguerre Polynomials. In the non-relativistic limit, the relativistic energy equation reduces to the non-relativistic energy which will be applied to determine some thermodynamical properties of the system. The thermodynamical properties of the system are expressed in terms of error function and imaginary error function.

Technical Note: Range verification system using edge detection method for a scintillator and a CCD camera system

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

Saotome, Naoya, E-mail: naosao@nirs.go.jp; Furukawa, Takuji; Hara, Yousuke

Purpose: Three-dimensional irradiation with a scanned carbon-ion beam has been performed from 2011 at the authors’ facility. The authors have developed the rotating-gantry equipped with the scanning irradiation system. The number of combinations of beam properties to measure for the commissioning is more than 7200, i.e., 201 energy steps, 3 intensities, and 12 gantry angles. To compress the commissioning time, quick and simple range verification system is required. In this work, the authors develop a quick range verification system using scintillator and charge-coupled device (CCD) camera and estimate the accuracy of the range verification. Methods: A cylindrical plastic scintillator blockmore » and a CCD camera were installed on the black box. The optical spatial resolution of the system is 0.2 mm/pixel. The camera control system was connected and communicates with the measurement system that is part of the scanning system. The range was determined by image processing. Reference range for each energy beam was determined by a difference of Gaussian (DOG) method and the 80% of distal dose of the depth-dose distribution that were measured by a large parallel-plate ionization chamber. The authors compared a threshold method and a DOG method. Results: The authors found that the edge detection method (i.e., the DOG method) is best for the range detection. The accuracy of range detection using this system is within 0.2 mm, and the reproducibility of the same energy measurement is within 0.1 mm without setup error. Conclusions: The results of this study demonstrate that the authors’ range check system is capable of quick and easy range verification with sufficient accuracy.« less

Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

PubMed

Bettens, Ryan P A

2003-01-15

Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.

Direct evaluation of free energy for large system through structure integration approach.

PubMed

Takeuchi, Kazuhito; Tanaka, Ryohei; Yuge, Koretaka

2015-09-30

We propose a new approach, 'structure integration', enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based simulation, we find that the present method evaluates configurational free energy accurately in disorder states above critical temperature.

Realization of the Energy Saving of the Environmental Examination Device Temperature Control System in Consideration of Temperature Characteristics

NASA Astrophysics Data System (ADS)

Onogaki, Hitoshi; Yokoyama, Shuichi

The temperature control of the environmental examination device has loss of the energy consumption to cool it while warming it. This paper proposed a tempareture control system method with energy saving for the enviromental examination device without using cooling in consideration of temperature characteristics.

Flexibility: The Key to Cutting Energy Costs.

ERIC Educational Resources Information Center

Stern, Joanne

This speech provides concrete ways for school districts to save on energy costs, based on the general concept of flexibility in energy systems. These methods have been successfully implemented in the Salem (Oregon) school district. The first idea is to set up a weekly, rather than annual, bidding system to increase fuel price options. This…

The Scenario of the Potential Analysis Alternative Energy in Order to Strengthening District's Energy Resilience (The Case Study in South Sumatera Province)

NASA Astrophysics Data System (ADS)

Ferry Muhrom, Muhammad; Ronny Rahman Nitibaskara, Tb; Herdiansyah, Herdis; Sari, Ravita

2017-10-01

The current development of fossil energy, which is the driving force of the economy in Indonesia, is a non-renewable energy and is in need to know when it will be exhausted so it may be replaced with renewable energy. Many powerplant systems in Indonesia are still using conventional system that utilizes fossil energy as the primary energy in the process of electricity generation. The occurrence of electrical energy crisis is marked by several electricity blackout phenomenon in some areas in South Sumatera province rotately, which is the proof that the installed power capacity has exceeded the capacity of generation power. Interconnection among several islands, namely Java Island, Sumatera Island, and Bali Island which has been interconnected with closed loop system through transmission network has not been able to overcome the electrical energy crisis. This paper aims to create alternative energy potential scenarios in the province of South Sumatera in sequence/ranking by using quantitative methods with sequential explanatory model formulated in the determination of alternative energy strategies then analyzed by using Analitycal Hierarchy Process(AHP) method. The simulation results from this research indicate that geothermal energy potentials get the highest value so that it becomes the priority of alternative energy strategy in South Sumatera Province.

Bi-level Optimization Method of Air-conditioning System Based on Office Building Energy Storage Characteristics

NASA Astrophysics Data System (ADS)

Wang, Qingze; Chen, Xingying; Ji, Li; Liao, Yingchen; Yu, Kun

2017-05-01

The air-conditioning system of office building is a large power consumption terminal equipment, whose unreasonable operation mode leads to low energy efficiency. Realizing the optimization of the air-conditioning system has become one of the important research contents of the electric power demand response. In this paper, in order to save electricity cost and improve energy efficiency, bi-level optimization method of air-conditioning system based on TOU price is put forward by using the energy storage characteristics of the office building itself. In the upper level, the operation mode of the air-conditioning system is optimized in order to minimize the uses’ electricity cost in the premise of ensuring user’ comfort according to the information of outdoor temperature and TOU price, and the cooling load of the air-conditioning is output to the lower level; In the lower level, the distribution mode of cooling load among the multi chillers is optimized in order to maximize the energy efficiency according to the characteristics of each chiller. Finally, the experimental results under different modes demonstrate that the strategy can improve the energy efficiency of chillers and save the electricity cost for users.

Committor of elementary reactions on multistate systems

NASA Astrophysics Data System (ADS)

Király, Péter; Kiss, Dóra Judit; Tóth, Gergely

2018-04-01

In our study, we extend the committor concept on multi-minima systems, where more than one reaction may proceed, but the feasible data evaluation needs the projection onto partial reactions. The elementary reaction committor and the corresponding probability density of the reactive trajectories are defined and calculated on a three-hole two-dimensional model system explored by single-particle Langevin dynamics. We propose a method to visualize more elementary reaction committor functions or probability densities of reactive trajectories on a single plot that helps to identify the most important reaction channels and the nonreactive domains simultaneously. We suggest a weighting for the energy-committor plots that correctly shows the limits of both the minimal energy path and the average energy concepts. The methods also performed well on the analysis of molecular dynamics trajectories of 2-chlorobutane, where an elementary reaction committor, the probability densities, the potential energy/committor, and the free-energy/committor curves are presented.

Method, apparatus and system for low-energy beta particle detection

DOEpatents

Akers, Douglas W.; Drigert, Mark W.

2012-09-25

An apparatus, method, and system relating to radiation detection of low-energy beta particles are disclosed. An embodiment includes a radiation detector with a first scintillator and a second scintillator operably coupled to each other. The first scintillator and the second scintillator are each structured to generate a light pulse responsive to interaction with beta particles. The first scintillator is structured to experience full energy deposition of low-energy beta particles, and permit a higher-energy beta particle to pass therethrough and interact with the second scintillator. The radiation detector further includes a light-to-electrical converter operably coupled to the second scintillator and configured to convert light pulses generated by the first scintillator and the second scintillator into electrical signals. The first scintillator and the second scintillator have at least one mutually different characteristic to enable an electronic system to determine whether a given light pulse is generated in the first scintillator or the second scintillator.

10 CFR 963.16 - Postclosure suitability evaluation method.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 4 2014-01-01 2014-01-01 false Postclosure suitability evaluation method. 963.16 Section... Determination, Methods, and Criteria § 963.16 Postclosure suitability evaluation method. (a) DOE will evaluate postclosure suitability using the total system performance assessment method. DOE will conduct a total system...

10 CFR 963.16 - Postclosure suitability evaluation method.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 4 2011-01-01 2011-01-01 false Postclosure suitability evaluation method. 963.16 Section... Determination, Methods, and Criteria § 963.16 Postclosure suitability evaluation method. (a) DOE will evaluate postclosure suitability using the total system performance assessment method. DOE will conduct a total system...

10 CFR 963.16 - Postclosure suitability evaluation method.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 4 2012-01-01 2012-01-01 false Postclosure suitability evaluation method. 963.16 Section... Determination, Methods, and Criteria § 963.16 Postclosure suitability evaluation method. (a) DOE will evaluate postclosure suitability using the total system performance assessment method. DOE will conduct a total system...

Multistage Stochastic Programming and its Applications in Energy Systems Modeling and Optimization

NASA Astrophysics Data System (ADS)

Golari, Mehdi

Electric energy constitutes one of the most crucial elements to almost every aspect of life of people. The modern electric power systems face several challenges such as efficiency, economics, sustainability, and reliability. Increase in electrical energy demand, distributed generations, integration of uncertain renewable energy resources, and demand side management are among the main underlying reasons of such growing complexity. Additionally, the elements of power systems are often vulnerable to failures because of many reasons, such as system limits, weak conditions, unexpected events, hidden failures, human errors, terrorist attacks, and natural disasters. One common factor complicating the operation of electrical power systems is the underlying uncertainties from the demands, supplies and failures of system components. Stochastic programming provides a mathematical framework for decision making under uncertainty. It enables a decision maker to incorporate some knowledge of the intrinsic uncertainty into the decision making process. In this dissertation, we focus on application of two-stage and multistage stochastic programming approaches to electric energy systems modeling and optimization. Particularly, we develop models and algorithms addressing the sustainability and reliability issues in power systems. First, we consider how to improve the reliability of power systems under severe failures or contingencies prone to cascading blackouts by so called islanding operations. We present a two-stage stochastic mixed-integer model to find optimal islanding operations as a powerful preventive action against cascading failures in case of extreme contingencies. Further, we study the properties of this problem and propose efficient solution methods to solve this problem for large-scale power systems. We present the numerical results showing the effectiveness of the model and investigate the performance of the solution methods. Next, we address the sustainability issue considering the integration of renewable energy resources into production planning of energy-intensive manufacturing industries. Recently, a growing number of manufacturing companies are considering renewable energies to meet their energy requirements to move towards green manufacturing as well as decreasing their energy costs. However, the intermittent nature of renewable energies imposes several difficulties in long term planning of how to efficiently exploit renewables. In this study, we propose a scheme for manufacturing companies to use onsite and grid renewable energies provided by their own investments and energy utilities as well as conventional grid energy to satisfy their energy requirements. We propose a multistage stochastic programming model and study an efficient solution method to solve this problem. We examine the proposed framework on a test case simulated based on a real-world semiconductor company. Moreover, we evaluate long-term profitability of such scheme via so called value of multistage stochastic programming.

Control system and method for a hybrid electric vehicle

DOEpatents

Tamor, Michael Alan

2001-03-06

Several control methods are presented for application in a hybrid electric vehicle powertrain including in various embodiments an engine, a motor/generator, a transmission coupled at an input thereof to receive torque from the engine and the motor generator coupled to augment torque provided by the engine, an energy storage device coupled to receive energy from and provide energy to the motor/generator, an engine controller (EEC) coupled to control the engine, a transmission controller (TCM) coupled to control the transmission and a vehicle system controller (VSC) adapted to control the powertrain.

Development of an energy consumption and cost data base for fuel cell total energy systems and conventional building energy systems

NASA Astrophysics Data System (ADS)

Pine, G. D.; Christian, J. E.; Mixon, W. R.; Jackson, W. L.

1980-07-01

The procedures and data sources used to develop an energy consumption and system cost data base for use in predicting the market penetration of phosphoric acid fuel cell total energy systems in the nonindustrial building market are described. A computer program was used to simulate the hourly energy requirements of six types of buildings; office buildings; retail stores; hotels and motels; schools; hospitals; and multifamily residences. The simulations were done by using hourly weather tapes for one city in each of the ten Department of Energy administrative regions. Two types of building construction were considered, one for existing buildings and one for new buildings. A fuel cell system combined with electrically driven heat pumps and one combined with a gas boiler and an electrically driven chiller were compared with similar conventional systems. The methods of system simulation, component sizing, and system cost estimation are described for each system.

A Recursive Method for Calculating Certain Partition Functions.

ERIC Educational Resources Information Center

Woodrum, Luther; And Others

1978-01-01

Describes a simple recursive method for calculating the partition function and average energy of a system consisting of N electrons and L energy levels. Also, presents an efficient APL computer program to utilize the recursion relation. (Author/GA)

Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy.

PubMed

Al-Hamdani, Yasmine S; Rossi, Mariana; Alfè, Dario; Tsatsoulis, Theodoros; Ramberger, Benjamin; Brandenburg, Jan Gerit; Zen, Andrea; Kresse, Georg; Grüneis, Andreas; Tkatchenko, Alexandre; Michaelides, Angelos

2017-07-28

Molecular adsorption on surfaces plays an important part in catalysis, corrosion, desalination, and various other processes that are relevant to industry and in nature. As a complement to experiments, accurate adsorption energies can be obtained using various sophisticated electronic structure methods that can now be applied to periodic systems. The adsorption energy of water on boron nitride substrates, going from zero to 2-dimensional periodicity, is particularly interesting as it calls for an accurate treatment of polarizable electrostatics and dispersion interactions, as well as posing a practical challenge to experiments and electronic structure methods. Here, we present reference adsorption energies, static polarizabilities, and dynamic polarizabilities, for water on BN substrates of varying size and dimension. Adsorption energies are computed with coupled cluster theory, fixed-node quantum Monte Carlo (FNQMC), the random phase approximation, and second order Møller-Plesset theory. These wavefunction based correlated methods are found to agree in molecular as well as periodic systems. The best estimate of the water/h-BN adsorption energy is -107±7 meV from FNQMC. In addition, the water adsorption energy on the BN substrates could be expected to grow monotonically with the size of the substrate due to increased dispersion interactions, but interestingly, this is not the case here. This peculiar finding is explained using the static polarizabilities and molecular dispersion coefficients of the systems, as computed from time-dependent density functional theory (DFT). Dynamic as well as static polarizabilities are found to be highly anisotropic in these systems. In addition, the many-body dispersion method in DFT emerges as a particularly useful estimation of finite size effects for other expensive, many-body wavefunction based methods.

Energy information systems (EIS): Technology costs, benefit, and best practice uses

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

Granderson, Jessica; Lin, Guanjing; Piette, Mary Ann

2013-11-26

Energy information systems are the web-based software, data acquisition hardware, and communication systems used to store, analyze, and display building energy data. They often include analysis methods such as baselining, benchmarking, load profiling, and energy anomaly detection. This report documents a large-scale assessment of energy information system (EIS) uses, costs, and energy benefits, based on a series of focused case study investigations that are synthesized into generalizable findings. The overall objective is to provide organizational decision makers with the information they need to make informed choices as to whether or not to invest in an EIS--a promising technology that canmore » enable up to 20 percent site energy savings, quick payback, and persistent low-energy performance when implemented as part of best-practice energy management programs.« less

Cholesky-decomposed density MP2 with density fitting: Accurate MP2 and double-hybrid DFT energies for large systems

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

Maurer, Simon A.; Clin, Lucien; Ochsenfeld, Christian, E-mail: christian.ochsenfeld@uni-muenchen.de

2014-06-14

Our recently developed QQR-type integral screening is introduced in our Cholesky-decomposed pseudo-densities Møller-Plesset perturbation theory of second order (CDD-MP2) method. We use the resolution-of-the-identity (RI) approximation in combination with efficient integral transformations employing sparse matrix multiplications. The RI-CDD-MP2 method shows an asymptotic cubic scaling behavior with system size and a small prefactor that results in an early crossover to conventional methods for both small and large basis sets. We also explore the use of local fitting approximations which allow to further reduce the scaling behavior for very large systems. The reliability of our method is demonstrated on test sets formore » interaction and reaction energies of medium sized systems and on a diverse selection from our own benchmark set for total energies of larger systems. Timings on DNA systems show that fast calculations for systems with more than 500 atoms are feasible using a single processor core. Parallelization extends the range of accessible system sizes on one computing node with multiple cores to more than 1000 atoms in a double-zeta basis and more than 500 atoms in a triple-zeta basis.« less

Research on the Orientation and Application of Distributed Energy Storage in Energy Internet

NASA Astrophysics Data System (ADS)

Zeng, Ming; Zhou, Pengcheng; Li, Ran; Zhou, Jingjing; Chen, Tao; Li, Zhe

2018-01-01

Energy storage is indispensable resources to achieve a high proportion of new energy power consumption in electric power system. As an important support to energy Internet, energy storage system can achieve a variety of energy integration operation to ensure maximum energy efficiency. In this paper, firstly, the SWOT analysis method is used to express the internal and external advantages and disadvantages of distributed energy storage participating in the energy Internet. Secondly, the function orientation of distributed energy storage in energy Internet is studied, based on which the application modes of distributed energy storage in virtual power plant, community energy storage and auxiliary services are deeply studied. Finally, this paper puts forward the development strategy of distributed energy storage which is suitable for the development of China’s energy Internet, and summarizes and prospects the application of distributed energy storage system.

Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital method

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

Nakata, Hiroya, E-mail: hiroya.nakata.gt@kyocera.jp; Nishimoto, Yoshio; Fedorov, Dmitri G.

2016-07-28

The analytic second derivative of the energy is developed for the fragment molecular orbital (FMO) method combined with density-functional tight-binding (DFTB), enabling simulations of infrared and Raman spectra of large molecular systems. The accuracy of the method is established in comparison to full DFTB without fragmentation for a set of representative systems. The performance of the FMO-DFTB Hessian is discussed for molecular systems containing up to 10 041 atoms. The method is applied to the study of the binding of α-cyclodextrin to polyethylene glycol, and the calculated IR spectrum of an epoxy amine oligomer reproduces experiment reasonably well.

Energy performance assessment with empirical methods: application of energy signature

NASA Astrophysics Data System (ADS)

Belussi, L.; Danza, L.; Meroni, I.; Salamone, F.

2015-03-01

Energy efficiency and reduction of building consumption are deeply felt issues both at Italian and international level. The recent regulatory framework sets stringent limits on energy performance of buildings. Awaiting the adoption of these principles, several methods have been developed to solve the problem of energy consumption of buildings, among which the simplified energy audit is intended to identify any anomalies in the building system, to provide helpful tips for energy refurbishments and to raise end users' awareness. The Energy Signature is an operational tool of these methodologies, an evaluation method in which energy consumption is correlated with climatic variables, representing the actual energy behaviour of the building. In addition to that purpose, the Energy Signature can be used as an empirical tool to determine the real performances of the technical elements. The latter aspect is illustrated in this article.

How large are nonadiabatic effects in atomic and diatomic systems?

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

Yang, Yubo, E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Tubman, Norm M., E-mail: yyang173@illinois.edu, E-mail: normantubman2015@u.northwestern.edu; Ceperley, David M.

2015-09-28

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. We report ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

How large are nonadiabatic effects in atomic and diatomic systems?

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

Yang, Yubo; Kylänpää, Ilkka; Tubman, Norm M.

2015-09-29

With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. Here, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion Monte Carlo method, in which the nodes depend on both the electronic and ionic positions. Our report shows the ground-state energies for all systems studied, ionization energies for the first-row atoms and atomization energies for the first-row hydrides. We find the ionization energies of the atoms to bemore » nearly independent of the Born-Oppenheimer approximation, within the accuracy of our results. The atomization energies of molecular systems, however, show small effects of the nonadiabatic coupling between electrons and nuclei.« less

A variation-perturbation method for atomic and molecular interactions. I - Theory. II - The interaction potential and van der Waals molecule for Ne-HF

NASA Astrophysics Data System (ADS)

Gallup, G. A.; Gerratt, J.

1985-09-01

The van der Waals energy between the two parts of a system is a very small fraction of the total electronic energy. In such cases, calculations have been based on perturbation theory. However, such an approach involves certain difficulties. For this reason, van der Waals energies have also been directly calculated from total energies. But such a method has definite limitations as to the size of systems which can be treated, and recently ab initio calculations have been combined with damped semiempirical long-range dispersion potentials to treat larger systems. In this procedure, large basis set superposition errors occur, which must be removed by the counterpoise method. The present investigation is concerned with an approach which is intermediate between the previously considered procedures. The first step in the new approach involves a variational calculation based upon valence bond functions. The procedure includes also the optimization of excited orbitals, and an approximation of atomic integrals and Hamiltonian matrix elements.

The economical utilization of geothermal energy

NASA Astrophysics Data System (ADS)

Rose, G.

1982-12-01

The geothermal energy which is stored in hot dry rock could be theoretically utilized for the generation of power. The hot-dry-rock procedure can provide a flow of hot water. The considered binary system can transform the obtained thermal energy into electrical energy. The system makes use of a Rankine cycle with a working fluid having a low boiling point. Heat from the hot water is transferred to the working fluid. The present investigation is concerned with the development of a method for the calculation of the entire process. The results obtained with the computational method are to provide a basis for the determination of the operational characteristics. The development method is used for the study of a process based on the use of carbon dioxide as working fluid. The economics of a use of the hot-dry-rock process with the binary system is also investigated. It is found that the considered procedure is not economical. Economical operation requires, in particular, hot water supplied at a much lower cost.

Electrostatically Embedded Many-Body Expansion for Neutral and Charged Metalloenzyme Model Systems.

PubMed

Kurbanov, Elbek K; Leverentz, Hannah R; Truhlar, Donald G; Amin, Elizabeth A

2012-01-10

The electrostatically embedded many-body (EE-MB) method has proven accurate for calculating cohesive and conformational energies in clusters, and it has recently been extended to obtain bond dissociation energies for metal-ligand bonds in positively charged inorganic coordination complexes. In the present paper, we present four key guidelines that maximize the accuracy and efficiency of EE-MB calculations for metal centers. Then, following these guidelines, we show that the EE-MB method can also perform well for bond dissociation energies in a variety of neutral and negatively charged inorganic coordination systems representing metalloenzyme active sites, including a model of the catalytic site of the zinc-bearing anthrax toxin lethal factor, a popular target for drug development. In particular, we find that the electrostatically embedded three-body (EE-3B) method is able to reproduce conventionally calculated bond-breaking energies in a series of pentacoordinate and hexacoordinate zinc-containing systems with an average absolute error (averaged over 25 cases) of only 0.98 kcal/mol.

Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations

PubMed Central

König, Gerhard; Brooks, Bernard R.

2014-01-01

Background Free energy simulations are an important tool in the arsenal of computational biophysics, allowing the calculation of thermodynamic properties of binding or enzymatic reactions. This paper introduces methods to increase the accuracy and precision of free energy calculations by calculating the free energy costs of constraints during post-processing. The primary purpose of employing constraints for these free energy methods is to increase the phase space overlap between ensembles, which is required for accuracy and convergence. Methods The free energy costs of applying or removing constraints are calculated as additional explicit steps in the free energy cycle. The new techniques focus on hard degrees of freedom and use both gradients and Hessian estimation. Enthalpy, vibrational entropy, and Jacobian free energy terms are considered. Results We demonstrate the utility of this method with simple classical systems involving harmonic and anharmonic oscillators, four-atomic benchmark systems, an alchemical mutation of ethane to methanol, and free energy simulations between alanine and serine. The errors for the analytical test cases are all below 0.0007 kcal/mol, and the accuracy of the free energy results of ethane to methanol is improved from 0.15 to 0.04 kcal/mol. For the alanine to serine case, the phase space overlaps of the unconstrained simulations range between 0.15 and 0.9%. The introduction of constraints increases the overlap up to 2.05%. On average, the overlap increases by 94% relative to the unconstrained value and precision is doubled. Conclusions The approach reduces errors arising from constraints by about an order of magnitude. Free energy simulations benefit from the use of constraints through enhanced convergence and higher precision. General Significance The primary utility of this approach is to calculate free energies for systems with disparate energy surfaces and bonded terms, especially in multi-scale molecular mechanics/quantum mechanics simulations. PMID:25218695

Energy Systems Integration News | Energy Systems Integration Facility |

Science.gov Websites

data analytics and forecasting methods to identify correlations between electricity consumption threats, or cyber and physical attacks-our nation's electricity grid must evolve. As part of the Grid other national labs, and several industry partners-to advance resilient electricity distribution systems

Method and System for Hydrogen Evolution and Storage

DOEpatents

Thorn, David L.; Tumas, William; Hay, P. Jeffrey; Schwarz, Daniel E.; Cameron, Thomas M.

2008-10-21

A method and system for storing and evolving hydrogen employ chemical compounds that can be hydrogenated to store hydrogen and dehydrogenated to evolve hydrogen. A catalyst lowers the energy required for storing and evolving hydrogen. The method and system can provide hydrogen for devices that consume hydrogen as fuel.

Electronic firing systems and methods for firing a device

DOEpatents

Frickey, Steven J [Boise, ID; Svoboda, John M [Idaho Falls, ID

2012-04-24

An electronic firing system comprising a control system, a charging system, an electrical energy storage device, a shock tube firing circuit, a shock tube connector, a blasting cap firing circuit, and a blasting cap connector. The control system controls the charging system, which charges the electrical energy storage device. The control system also controls the shock tube firing circuit and the blasting cap firing circuit. When desired, the control system signals the shock tube firing circuit or blasting cap firing circuit to electrically connect the electrical energy storage device to the shock tube connector or the blasting cap connector respectively.

Molecular system identification for enzyme directed evolution and design

NASA Astrophysics Data System (ADS)

Guan, Xiangying; Chakrabarti, Raj

2017-09-01

The rational design of chemical catalysts requires methods for the measurement of free energy differences in the catalytic mechanism for any given catalyst Hamiltonian. The scope of experimental learning algorithms that can be applied to catalyst design would also be expanded by the availability of such methods. Methods for catalyst characterization typically either estimate apparent kinetic parameters that do not necessarily correspond to free energy differences in the catalytic mechanism or measure individual free energy differences that are not sufficient for establishing the relationship between the potential energy surface and catalytic activity. Moreover, in order to enhance the duty cycle of catalyst design, statistically efficient methods for the estimation of the complete set of free energy differences relevant to the catalytic activity based on high-throughput measurements are preferred. In this paper, we present a theoretical and algorithmic system identification framework for the optimal estimation of free energy differences in solution phase catalysts, with a focus on one- and two-substrate enzymes. This framework, which can be automated using programmable logic, prescribes a choice of feasible experimental measurements and manipulated input variables that identify the complete set of free energy differences relevant to the catalytic activity and minimize the uncertainty in these free energy estimates for each successive Hamiltonian design. The framework also employs decision-theoretic logic to determine when model reduction can be applied to improve the duty cycle of high-throughput catalyst design. Automation of the algorithm using fluidic control systems is proposed, and applications of the framework to the problem of enzyme design are discussed.

Space Science

NASA Image and Video Library

1995-06-08

Scientists at Marshall's Adaptive Optics Lab demonstrate the Wave Front Sensor alignment using the Phased Array Mirror Extendible Large Aperture (PAMELA) optics adjustment. The primary objective of the PAMELA project is to develop methods for aligning and controlling adaptive optics segmented mirror systems. These systems can be used to acquire or project light energy. The Next Generation Space Telescope is an example of an energy acquisition system that will employ segmented mirrors. Light projection systems can also be used for power beaming and orbital debris removal. All segmented optical systems must be adjusted to provide maximum performance. PAMELA is an on going project that NASA is utilizing to investigate various methods for maximizing system performance.

Neutron Radiography of Fluid Flow for Geothermal Energy Research

NASA Astrophysics Data System (ADS)

Bingham, P.; Polsky, Y.; Anovitz, L.; Carmichael, J.; Bilheux, H.; Jacobsen, D.; Hussey, D.

Enhanced geothermal systems seek to expand the potential for geothermal energy by engineering heat exchange systems within the earth. A neutron radiography imaging method has been developed for the study of fluid flow through rock under environmental conditions found in enhanced geothermal energy systems. For this method, a pressure vessel suitable for neutron radiography was designed and fabricated, modifications to imaging instrument setups were tested, multiple contrast agents were tested, and algorithms developed for tracking of flow. The method has shown success for tracking of single phase flow through a manufactured crack in a 3.81 cm (1.5 inch) diameter core within a pressure vessel capable of confinement up to 69 MPa (10,000 psi) using a particle tracking approach with bubbles of fluorocarbon-based fluid as the ;particles; and imaging with 10 ms exposures.

Investigations of fluid-strain interaction using Plate Boundary Observatory borehole data

NASA Astrophysics Data System (ADS)

Boyd, Jeffrey Michael

Software has a great impact on the energy efficiency of any computing system--it can manage the components of a system efficiently or inefficiently. The impact of software is amplified in the context of a wearable computing system used for activity recognition. The design space this platform opens up is immense and encompasses sensors, feature calculations, activity classification algorithms, sleep schedules, and transmission protocols. Design choices in each of these areas impact energy use, overall accuracy, and usefulness of the system. This thesis explores methods software can influence the trade-off between energy consumption and system accuracy. In general the more energy a system consumes the more accurate will be. We explore how finding the transitions between human activities is able to reduce the energy consumption of such systems without reducing much accuracy. We introduce the Log-likelihood Ratio Test as a method to detect transitions, and explore how choices of sensor, feature calculations, and parameters concerning time segmentation affect the accuracy of this method. We discovered an approximate 5X increase in energy efficiency could be achieved with only a 5% decrease in accuracy. We also address how a system's sleep mode, in which the processor enters a low-power state and sensors are turned off, affects a wearable computing platform that does activity recognition. We discuss the energy trade-offs in each stage of the activity recognition process. We find that careful analysis of these parameters can result in great increases in energy efficiency if small compromises in overall accuracy can be tolerated. We call this the ``Great Compromise.'' We found a 6X increase in efficiency with a 7% decrease in accuracy. We then consider how wireless transmission of data affects the overall energy efficiency of a wearable computing platform. We find that design decisions such as feature calculations and grouping size have a great impact on the energy consumption of the system because of the amount of data that is stored and transmitted. For example, storing and transmitting vector-based features such as FFT or DCT do not compress the signal and would use more energy than storing and transmitting the raw signal. The effect of grouping size on energy consumption depends on the feature. For scalar features energy consumption is proportional in the inverse of grouping size, so it's reduced as grouping size goes up. For features that depend on the grouping size, such as FFT, energy increases with the logarithm of grouping size, so energy consumption increases slowly as grouping size increases. We find that compressing data through activity classification and transition detection significantly reduces energy consumption and that the energy consumed for the classification overhead is negligible compared to the energy savings from data compression. We provide mathematical models of energy usage and data generation, and test our ideas using a mobile computing platform, the Texas Instruments Chronos watch.

Free energy computations employing Jarzynski identity and Wang – Landau algorithm

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

Kalyan, M. Suman, E-mail: maroju.sk@gmail.com; Murthy, K. P. N.; School of Physics, University of Hyderabad, Hyderabad, Telangana, India – 500046

We introduce a simple method to compute free energy differences employing Jarzynski identity in conjunction with Wang – Landau algorithm. We demonstrate this method on Ising spin system by comparing the results with those obtained from canonical sampling.

Concept of a methodical process for the design of concentrating photovoltaic systems according to the context of use

NASA Astrophysics Data System (ADS)

González-Correa, David; Osorio-Gómez, Gilberto; Mejía-Gutiérrez, Ricardo

2016-09-01

Concentrating Photo Voltaic (CPV) systems maximize energy harvested from the sun with multi-junction solar cells of less area, reducing related implementation costs and reaching energy production thresholds up to 38,9 %. Nowadays, CPV systems are generally implemented in solar energy farms in a permanent location, however, these systems could be used in other dynamic contexts, such as vehicles or portable devices. In this way, mechanical and geometrical parameters related to manipulation, transportation and installation should be carefully considered at the design stage. Besides, each condition of use presents different variables affecting these parameters. In all, there is not an established architecture for these systems, opening up the possibility of radically changing their use, geometry and components. Therefore, a concept of a methodical process for designing of CPV systems is proposed in order to predict their behavior in terms of implementation and energy production. This might allow the development of robust concepts that can be adapted to different context of use as required, providing an itinerant character and thus extending the field of implementation of these systems beyond a static use. The relevant variables for the use of CPV systems are determined through experimentation considering the implementation of Fresnel lenses as light concentrators. This allows generating a structured design guide composed of different methods of measurement, selection and development. The methodical process is based on a perspective of functional modules considering needs, technical aspects and particular usage conditions of each design and it would provide appropriate guidelines in each circumstance.

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

Belzer, David B.; Bender, Sadie R.; Cort, Katherine A.

This report provides an update to a previously published (Rev 1) report that describes a comprehensive system of energy intensity indicators for the United States that has been developed for the Department of Energy’s Office of Energy Efficiency and Renewable Energy (EERE) over the past decade. This system of indicators is hierarchical in nature, beginning with detailed indexes of energy intensity for various sectors of the economy, which are ultimately aggregated to an overall energy intensity index for the economy as a whole. The aggregation of energy intensity indexes to higher levels in the hierarchy is performed with a versionmore » of the Log Mean Divisia index (LMDI) method. Based upon the data and methods in the system of indicators, the economy-wide energy intensity index shows a decline of about 14% in 2011 relative to a 1985 base year. Discussion of energy intensity indicators for each of the broad end-use sectors of the economy—residential, commercial, industrial, and transportation—is presented in the report. An analysis of recent changes in the efficiency of electricity generation in the U.S. is also included. A detailed appendix describes the data sources and methodology behind the energy intensity indicators for each sector.« less

Working Toward the Very Low Energy Consumption Building of the Future |

Science.gov Websites

systems engineering methods that have transformed other industries, including the aircraft and automobile Merced and United Technologies are studying the use of sensors and occupancy estimating methods to , occupancy dynamics models, and energy control methods. The team will test whether this technology can

Unconditionally energy stable time stepping scheme for Cahn–Morral equation: Application to multi-component spinodal decomposition and optimal space tiling

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

Tavakoli, Rouhollah, E-mail: rtavakoli@sharif.ir

An unconditionally energy stable time stepping scheme is introduced to solve Cahn–Morral-like equations in the present study. It is constructed based on the combination of David Eyre's time stepping scheme and Schur complement approach. Although the presented method is general and independent of the choice of homogeneous free energy density function term, logarithmic and polynomial energy functions are specifically considered in this paper. The method is applied to study the spinodal decomposition in multi-component systems and optimal space tiling problems. A penalization strategy is developed, in the case of later problem, to avoid trivial solutions. Extensive numerical experiments demonstrate themore » success and performance of the presented method. According to the numerical results, the method is convergent and energy stable, independent of the choice of time stepsize. Its MATLAB implementation is included in the appendix for the numerical evaluation of algorithm and reproduction of the presented results. -- Highlights: •Extension of Eyre's convex–concave splitting scheme to multiphase systems. •Efficient solution of spinodal decomposition in multi-component systems. •Efficient solution of least perimeter periodic space partitioning problem. •Developing a penalization strategy to avoid trivial solutions. •Presentation of MATLAB implementation of the introduced algorithm.« less

Automating the Transition Between Sensorless Motor Control Methods for the NASA Glenn Research Center Flywheel Energy Storage System

NASA Technical Reports Server (NTRS)

Fehrmann, Elizabeth A.; Kenny, Barbara H.

2004-01-01

The NASA Glenn Research Center (GRC) has been working to advance the technology necessary for a flywheel energy storage system for the past several years. Flywheels offer high efficiency, durability, and near-complete discharge capabilities not produced by typical chemical batteries. These characteristics show flywheels to be an attractive alternative to the more typical energy storage solutions. Flywheels also offer the possibility of combining what are now two separate systems in space applications into one: energy storage, which is currently provided by batteries, and attitude control, which is currently provided by control moment gyroscopes (CMGs) or reaction wheels. To date, NASA Glenn research effort has produced the control algorithms necessary to demonstrate flywheel operation up to a rated speed of 60,000 RPM and the combined operation of two flywheel machines to simultaneously provide energy storage and single axis attitude control. Two position-sensorless algorithms are used to control the motor/generator, one for low (0 to 1200 RPM) speeds and one for high speeds. The algorithm allows the transition from the low speed method to the high speed method, but the transition from the high to low speed method was not originally included. This leads to a limitation in the existing motor/generator control code that does not allow the flywheels to be commanded to zero speed (and back in the negative speed direction) after the initial startup. In a multi-flywheel system providing both energy storage and attitude control to a spacecraft, speed reversal may be necessary.

Energy storage cell impedance measuring apparatus, methods and related systems

DOEpatents

Morrison, John L.; Morrison, William H.; Christophersen, Jon P.

2017-12-26

Energy storage cell impedance testing devices, circuits, and related methods are disclosed. An energy storage cell impedance measuring device includes a sum of sinusoids (SOS) current excitation circuit including differential current sources configured to isolate a ground terminal of the differential current sources from a positive terminal and a negative terminal of an energy storage cell. A method includes applying an SOS signal comprising a sum of sinusoidal current signals to the energy storage cell with the SOS current excitation circuit, each of the sinusoidal current signals oscillating at a different one of a plurality of different frequencies. The method also includes measuring an electrical signal at a positive terminal and a negative terminal of the energy storage cell, and computing an impedance of the energy storage cell at each of the plurality of different frequencies using the measured electrical signal.

KECSA-Movable Type Implicit Solvation Model (KMTISM)

PubMed Central

2015-01-01

Computation of the solvation free energy for chemical and biological processes has long been of significant interest. The key challenges to effective solvation modeling center on the choice of potential function and configurational sampling. Herein, an energy sampling approach termed the “Movable Type” (MT) method, and a statistical energy function for solvation modeling, “Knowledge-based and Empirical Combined Scoring Algorithm” (KECSA) are developed and utilized to create an implicit solvation model: KECSA-Movable Type Implicit Solvation Model (KMTISM) suitable for the study of chemical and biological systems. KMTISM is an implicit solvation model, but the MT method performs energy sampling at the atom pairwise level. For a specific molecular system, the MT method collects energies from prebuilt databases for the requisite atom pairs at all relevant distance ranges, which by its very construction encodes all possible molecular configurations simultaneously. Unlike traditional statistical energy functions, KECSA converts structural statistical information into categorized atom pairwise interaction energies as a function of the radial distance instead of a mean force energy function. Within the implicit solvent model approximation, aqueous solvation free energies are then obtained from the NVT ensemble partition function generated by the MT method. Validation is performed against several subsets selected from the Minnesota Solvation Database v2012. Results are compared with several solvation free energy calculation methods, including a one-to-one comparison against two commonly used classical implicit solvation models: MM-GBSA and MM-PBSA. Comparison against a quantum mechanics based polarizable continuum model is also discussed (Cramer and Truhlar’s Solvation Model 12). PMID:25691832

Fundamental Study on Saving Energy for Electrified Railway System Applying High Temperature Superconductor Motor and Energy Storage System

NASA Astrophysics Data System (ADS)

Konishi, Takeshi; Nakamura, Taketsune; Amemiya, Naoyuki

Induction motor instead of dc one has been applied widely for dc electric rolling stock because of the advantage of its utility and efficiency. However, further improvement of motor characteristics will be required to realize environment-friendly dc railway system in the future. It is important to study more efficient machine applying dc electric rolling stock for next generation high performance system. On the other hand, the methods to reuse regenerative energy produced by motors effectively are also important. Therefore, we carried out fundamental study on saving energy for electrified railway system. For the first step, we introduced the energy storage system applying electric double-layer capacitors (EDLC), and its control system. And then, we tried to obtain the specification of high temperature superconductor induction/synchronous motor (HTS-ISM), which performance is similar with that of the conventional induction motors. Furthermore, we tried to evaluate an electrified railway system applying energy storage system and HTS-ISM based on simulation. We succeeded in showing the effectiveness of the introductions of energy storage system and HTS-ISM in DC electrified railway system.

Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

NASA Technical Reports Server (NTRS)

Taylor, Peter R.; Lee, Timothy J.; Rendell, Alistair P.

1990-01-01

The recently proposed quadratic configuration interaction (QCI) method is compared with the more rigorous coupled cluster (CC) approach for a variety of chemical systems. Some of these systems are well represented by a single-determinant reference function and others are not. The finite order singles and doubles correlation energy, the perturbational triples correlation energy, and a recently devised diagnostic for estimating the importance of multireference effects are considered. The spectroscopic constants of CuH, the equilibrium structure of cis-(NO)2 and the binding energies of Be3, Be4, Mg3, and Mg4 were calculated using both approaches. The diagnostic for estimating multireference character clearly demonstrates that the QCI method becomes less satisfactory than the CC approach as non-dynamical correlation becomes more important, in agreement with a perturbational analysis of the two methods and the numerical estimates of the triple excitation energies they yield. The results for CuH show that the differences between the two methods become more apparent as the chemical systems under investigation becomes more multireference in nature and the QCI results consequently become less reliable. Nonetheless, when the system of interest is dominated by a single reference determinant both QCI and CC give very similar results.

Using Markov Chains and Multi-Objective Optimization for Energy-Efficient Context Recognition.

PubMed

Janko, Vito; Luštrek, Mitja

2017-12-29

The recognition of the user's context with wearable sensing systems is a common problem in ubiquitous computing. However, the typically small battery of such systems often makes continuous recognition impractical. The strain on the battery can be reduced if the sensor setting is adapted to each context. We propose a method that efficiently finds near-optimal sensor settings for each context. It uses Markov chains to simulate the behavior of the system in different configurations and the multi-objective genetic algorithm to find a set of good non-dominated configurations. The method was evaluated on three real-life datasets and found good trade-offs between the system's energy expenditure and the system's accuracy. One of the solutions, for example, consumed five-times less energy than the default one, while sacrificing only two percentage points of accuracy.

Redox Bulk Energy Storage System Study, Volume 1

NASA Technical Reports Server (NTRS)

Ciprios, G.; Erskine, W., Jr.; Grimes, P. G.

1977-01-01

Opportunities were found for electrochemical energy storage devices in the U.S. electric utility industry. Application requirements for these devices were defined, including techno-economic factors. A new device, the Redox storage battery was analyzed. The Redox battery features a decoupling of energy storage and power conversion functions. General computer methods were developed to simulate Redox system operations. These studies showed that the Redox system is potentially attractive if certain performance goals can be achieved. Pathways for reducing the cost of the Redox system were identified.

Active Radiation Detectors for Use in Space Beyond Low Earth Orbit: Spatial and Energy Resolution Requirements and Methods for Heavy Ion Charge Classification

NASA Astrophysics Data System (ADS)

McBeth, Rafe A.

Space radiation exposure to astronauts will need to be carefully monitored on future missions beyond low earth orbit. NASA has proposed an updated radiation risk framework that takes into account a significant amount of radiobiological and heavy ion track structure information. These models require active radiation detection systems to measure the energy and ion charge Z. However, current radiation detection systems cannot meet these demands. The aim of this study was to investigate several topics that will help next generation detection systems meet the NASA objectives. Specifically, this work investigates the required spatial resolution to avoid coincident events in a detector, the effects of energy straggling and conversion of dose from silicon to water, and methods for ion identification (Z) using machine learning. The main results of this dissertation are as follows: 1. Spatial resolution on the order of 0.1 cm is required for active space radiation detectors to have high confidence in identifying individual particles, i.e., to eliminate coincident events. 2. Energy resolution of a detector system will be limited by energy straggling effects and the conversion of dose in silicon to dose in biological tissue (water). 3. Machine learning methods show strong promise for identification of ion charge (Z) with simple detector designs.

Fundamental Study of Energy Storage for Electric Railway Combining Electric Double-layer Capacitors and Battery

NASA Astrophysics Data System (ADS)

Konishi, Takeshi; Hase, Shin-Ichi; Nakamichi, Yoshinobu; Nara, Hidetaka; Uemura, Tadashi

The methods to stabilize power sources, which are the measures against voltage drop, power loading fluctuation, regenerative power lapse and so on, have been important issues in DC railway feeding circuits. Therefore, an energy storage medium that uses power efficiently and reduces above-mentioned problems is much concerned about. Electric double-layer capacitors (EDLC) can be charged and discharged rapidly in a short time with large power. On the other hand, a battery has a high energy density so that it is proper to be charged and discharged for a long time. Therefore, from a viewpoint of load pattern for electric railway, hybrid energy storage system combining both energy storage media may be effective. This paper introduces two methods for hybrid energy system theoretically, and describes the results of the fundamental tests.

Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

PubMed

Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

2014-10-14

The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a small subset of atoms within the system.

Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics

PubMed Central

2015-01-01

The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a small subset of atoms within the system. PMID:25328492

Technical Note: Range verification system using edge detection method for a scintillator and a CCD camera system.

PubMed

Saotome, Naoya; Furukawa, Takuji; Hara, Yousuke; Mizushima, Kota; Tansho, Ryohei; Saraya, Yuichi; Shirai, Toshiyuki; Noda, Koji

2016-04-01

Three-dimensional irradiation with a scanned carbon-ion beam has been performed from 2011 at the authors' facility. The authors have developed the rotating-gantry equipped with the scanning irradiation system. The number of combinations of beam properties to measure for the commissioning is more than 7200, i.e., 201 energy steps, 3 intensities, and 12 gantry angles. To compress the commissioning time, quick and simple range verification system is required. In this work, the authors develop a quick range verification system using scintillator and charge-coupled device (CCD) camera and estimate the accuracy of the range verification. A cylindrical plastic scintillator block and a CCD camera were installed on the black box. The optical spatial resolution of the system is 0.2 mm/pixel. The camera control system was connected and communicates with the measurement system that is part of the scanning system. The range was determined by image processing. Reference range for each energy beam was determined by a difference of Gaussian (DOG) method and the 80% of distal dose of the depth-dose distribution that were measured by a large parallel-plate ionization chamber. The authors compared a threshold method and a DOG method. The authors found that the edge detection method (i.e., the DOG method) is best for the range detection. The accuracy of range detection using this system is within 0.2 mm, and the reproducibility of the same energy measurement is within 0.1 mm without setup error. The results of this study demonstrate that the authors' range check system is capable of quick and easy range verification with sufficient accuracy.

A Prediction Method of Binding Free Energy of Protein and Ligand

NASA Astrophysics Data System (ADS)

Yang, Kun; Wang, Xicheng

2010-05-01

Predicting the binding free energy is an important problem in bimolecular simulation. Such prediction would be great benefit in understanding protein functions, and may be useful for computational prediction of ligand binding strengths, e.g., in discovering pharmaceutical drugs. Free energy perturbation (FEP)/thermodynamics integration (TI) is a classical method to explicitly predict free energy. However, this method need plenty of time to collect datum, and that attempts to deal with some simple systems and small changes of molecular structures. Another one for estimating ligand binding affinities is linear interaction energy (LIE) method. This method employs averages of interaction potential energy terms from molecular dynamics simulations or other thermal conformational sampling techniques. Incorporation of systematic deviations from electrostatic linear response, derived from free energy perturbation studies, into the absolute binding free energy expression significantly enhances the accuracy of the approach. However, it also is time-consuming work. In this paper, a new prediction method based on steered molecular dynamics (SMD) with direction optimization is developed to compute binding free energy. Jarzynski's equality is used to derive the PMF or free-energy. The results for two numerical examples are presented, showing that the method has good accuracy and efficiency. The novel method can also simulate whole binding proceeding and give some important structural information about development of new drugs.

The influence of the waterjet propulsion system on the ships' energy consumption and emissions inventories.

PubMed

Durán-Grados, Vanesa; Mejías, Javier; Musina, Liliya; Moreno-Gutiérrez, Juan

2018-08-01

In this study we consider the problems associated with calculating ships' energy and emission inventories. Various related uncertainties are described in many similar studies published in the last decade, and applying to Europe, the USA and Canada. However, none of them have taken into account the performance of ships' propulsion systems. On the one hand, when a ship uses its propellers, there is no unanimous agreement on the equations used to calculate the main engines load factor and, on the other, the performance of waterjet propulsion systems (for which this variable depends on the speed of the ship) has not been taken into account in any previous studies. This paper proposes that the efficiency of the propulsion system should be included as a new parameter in the equation that defines the actual power delivered by a ship's main engines, as applied to calculate energy consumption and emissions in maritime transport. To highlight the influence of the propulsion system on calculated energy consumption and emissions, the bottom-up method has been applied using data from eight fast ferries operating across the Strait of Gibraltar over the course of one year. This study shows that the uncertainty about the efficiency of the propulsion system should be added as one more uncertainty in the energy and emission inventories for maritime transport as currently prepared. After comparing four methods for this calculation, the authors propose a new method for eight cases. For the calculation of the Main Engine's fuel oil consumption, differences up to 22% between some methods were obtained at low loads. Copyright © 2018 Elsevier B.V. All rights reserved.

48 CFR 915.602 - Policy.

Code of Federal Regulations, 2013 CFR

2013-10-01

... demand the involvement of all resources in exploring alternative energy sources and technologies. To... 48 Federal Acquisition Regulations System 5 2013-10-01 2013-10-01 false Policy. 915.602 Section 915.602 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT...

48 CFR 915.602 - Policy.

Code of Federal Regulations, 2011 CFR

2011-10-01

... demand the involvement of all resources in exploring alternative energy sources and technologies. To... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Policy. 915.602 Section 915.602 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT...

48 CFR 915.602 - Policy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... demand the involvement of all resources in exploring alternative energy sources and technologies. To... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Policy. 915.602 Section 915.602 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT...

48 CFR 915.602 - Policy.

Code of Federal Regulations, 2012 CFR

2012-10-01

... demand the involvement of all resources in exploring alternative energy sources and technologies. To... 48 Federal Acquisition Regulations System 5 2012-10-01 2012-10-01 false Policy. 915.602 Section 915.602 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT...

48 CFR 915.602 - Policy.

Code of Federal Regulations, 2014 CFR

2014-10-01

... demand the involvement of all resources in exploring alternative energy sources and technologies. To... 48 Federal Acquisition Regulations System 5 2014-10-01 2014-10-01 false Policy. 915.602 Section 915.602 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT...

Accelerated weight histogram method for exploring free energy landscapes

NASA Astrophysics Data System (ADS)

Lindahl, V.; Lidmar, J.; Hess, B.

2014-07-01

Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

Accelerated weight histogram method for exploring free energy landscapes.

PubMed

Lindahl, V; Lidmar, J; Hess, B

2014-07-28

Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

48 CFR 945.603 - Disposal methods.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 48 Federal Acquisition Regulations System 5 2012-10-01 2012-10-01 false Disposal methods. 945.603 Section 945.603 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACT MANAGEMENT GOVERNMENT PROPERTY Reporting, Redistribution, and Disposal of Contractor Inventory 945.603 Disposal methods. ...

48 CFR 945.603 - Disposal methods.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 48 Federal Acquisition Regulations System 5 2011-10-01 2011-10-01 false Disposal methods. 945.603 Section 945.603 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACT MANAGEMENT GOVERNMENT PROPERTY Reporting, Redistribution, and Disposal of Contractor Inventory 945.603 Disposal methods. ...

48 CFR 945.603 - Disposal methods.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Disposal methods. 945.603 Section 945.603 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACT MANAGEMENT GOVERNMENT PROPERTY Reporting, Redistribution, and Disposal of Contractor Inventory 945.603 Disposal methods. ...

Non-Rocket Earth-Moon Transport System

NASA Technical Reports Server (NTRS)

Bolonkin, Alexander

2002-01-01

This paper proposes a new method and transportation system to travel to the Moon. This transportation system uses a mechanical energy transfer and requires only minimal energy so that it provides a 'Free Trip' into space. The method uses the rotary and kinetic energy of the Moon. This paper presents the theory and results of computations for the project provided Free Trips (without rockets and spend a big energy) to the Moon for six thousand people annually. The project uses artificial materials like nanotubes and whiskers that have a ratio of tensile strength to density equal 4 million meters. In the future, nanotubes will be produced that can reach a specific stress up 100 millions meter and will significantly improve the parameters of suggested project. The author is prepared to discuss the problems with serious organizations that want to research and develop these innovations.

Revisiting the finite temperature string method for the calculation of reaction tubes and free energies

NASA Astrophysics Data System (ADS)

Vanden-Eijnden, Eric; Venturoli, Maddalena

2009-05-01

An improved and simplified version of the finite temperature string (FTS) method [W. E, W. Ren, and E. Vanden-Eijnden, J. Phys. Chem. B 109, 6688 (2005)] is proposed. Like the original approach, the new method is a scheme to calculate the principal curves associated with the Boltzmann-Gibbs probability distribution of the system, i.e., the curves which are such that their intersection with the hyperplanes perpendicular to themselves coincides with the expected position of the system in these planes (where perpendicular is understood with respect to the appropriate metric). Unlike more standard paths such as the minimum energy path or the minimum free energy path, the location of the principal curve depends on global features of the energy or the free energy landscapes and thereby may remain appropriate in situations where the landscape is rough on the thermal energy scale and/or entropic effects related to the width of the reaction channels matter. Instead of using constrained sampling in hyperplanes as in the original FTS, the new method calculates the principal curve via sampling in the Voronoi tessellation whose generating points are the discretization points along this curve. As shown here, this modification results in greater algorithmic simplicity. As a by-product, it also gives the free energy associated with the Voronoi tessellation. The new method can be applied both in the original Cartesian space of the system or in a set of collective variables. We illustrate FTS on test-case examples and apply it to the study of conformational transitions of the nitrogen regulatory protein C receiver domain using an elastic network model and to the isomerization of solvated alanine dipeptide.

A variational algebraic method used to study the full vibrational spectra and dissociation energies of some specific diatomic systems.

PubMed

Zhang, Yi; Sun, Weiguo; Fu, Jia; Fan, Qunchao; Ma, Jie; Xiao, Liantuan; Jia, Suotang; Feng, Hao; Li, Huidong

2014-01-03

The algebraic method (AM) proposed by Sun et al. is improved to be a variational AM (VAM) to offset the possible experimental errors and to adapt to the individual energy expansion nature of different molecular systems. The VAM is used to study the full vibrational spectra {Eυ} and the dissociation energies De of (4)HeH(+)-X(1)Σ(+), (7)Li2-1(3)Δg,Na2-C(1)Πu,NaK-7(1)Π, Cs2-B(1)Πu and (79)Br2-β1g((3)P2) diatomic electronic states. The results not only precisely reproduce all known experimental vibrational energies, but also predict correct dissociation energies and all unknown high-lying levels that may not be given by the original AM or other numerical methods or experimental methods. The analyses and the skill suggested here might be useful for other numerical simulations and theoretical fittings using known data that may carry inevitable errors. Copyright © 2013. Published by Elsevier B.V.

Apparatus and method for investigation of energy consumption of microwave assisted drying systems.

PubMed

Göllei, Attila; Vass, András; Magyar, Attila; Pallai, Elisabeth

2009-10-01

Convective, hot air drying by itself is relatively efficient for removing water from the surface environment of agricultural seed products. However, moving internal moisture to the surface needs rather a long time, as a rule. The major research aim of the authors was to decrease the processing time and processing costs, to improve the quality of the dried product, and to increase drying efficiency. For this reason their research activities focused on the development of a special drying apparatus and a method suitable for measuring of energy conditions in a hybrid (microwave and convective) dryer. Experimental investigations were made with moistened wheat as model material. Experiments were carried out in microwave, convective and hybrid drying systems. The microwave drying alone was more efficient than the convective method. The lowest energy consumption and shortest drying time were obtained by the use of a hybrid method in which the waste energy of magnetron was utilized and the temperature was controlled. In this way, it was possible to keep the temperature of the dried product at a constant and safe value and to considerably decrease the energy consumption.

Data-driven forecasting algorithms for building energy consumption

NASA Astrophysics Data System (ADS)

Noh, Hae Young; Rajagopal, Ram

2013-04-01

This paper introduces two forecasting methods for building energy consumption data that are recorded from smart meters in high resolution. For utility companies, it is important to reliably forecast the aggregate consumption profile to determine energy supply for the next day and prevent any crisis. The proposed methods involve forecasting individual load on the basis of their measurement history and weather data without using complicated models of building system. The first method is most efficient for a very short-term prediction, such as the prediction period of one hour, and uses a simple adaptive time-series model. For a longer-term prediction, a nonparametric Gaussian process has been applied to forecast the load profiles and their uncertainty bounds to predict a day-ahead. These methods are computationally simple and adaptive and thus suitable for analyzing a large set of data whose pattern changes over the time. These forecasting methods are applied to several sets of building energy consumption data for lighting and heating-ventilation-air-conditioning (HVAC) systems collected from a campus building at Stanford University. The measurements are collected every minute, and corresponding weather data are provided hourly. The results show that the proposed algorithms can predict those energy consumption data with high accuracy.

Energy Implications of Materials Processing

ERIC Educational Resources Information Center

Hayes, Earl T.

1976-01-01

Processing of materials could become energy-limited rather than resource-limited. Methods to extract metals, industrial minerals, and energy materials and convert them to useful states requires more than one-fifth of the United States energy budget. Energy accounting by industries must include a total systems analysis of costs to insure net energy…

Sustainable and Renewable Energy Resources — Alternative Forms of Energy

NASA Astrophysics Data System (ADS)

Rao, M. C.

In order to move towards a sustainable existence in our critically energy dependent society there is a continuing need to adopt environmentally sustainable methods for energy production, storage and conversion. A fuel cell is an energy conversion device that generates electricity and heat by electrochemically combining a gaseous fuel and an oxidant gas through electrodes and across an ion conducting electrolyte. The use of fuel cells in both stationary and mobile power applications can offer significant advantages for the sustainable conversion of energy. Currently the cost of fuel cell systems is greater than that of similar, already available products, mainly because of small scale production and the lack of economies of scale. The best fuel for fuel cells is hydrogen and another barrier is fuel flexibility. Benefits arising from the use of fuel cells include efficiency and reliability, as well as economy, unique operating characteristics and planning flexibility and future development potential. By integrating the application of fuel cells, in series with renewable energy storage and production methods, sustainable energy requirements may be realized. As fuel cell application increases and improved fuel storage methods and handlings are developed, it is expected that the costs associated with fuel cell systems will fall dramatically in the future.

Discovering Free Energy Basins for Macromolecular Systems via Guided Multiscale Simulation

PubMed Central

Sereda, Yuriy V.; Singharoy, Abhishek B.; Jarrold, Martin F.; Ortoleva, Peter J.

2012-01-01

An approach for the automated discovery of low free energy states of macromolecular systems is presented. The method does not involve delineating the entire free energy landscape but proceeds in a sequential free energy minimizing state discovery, i.e., it first discovers one low free energy state and then automatically seeks a distinct neighboring one. These states and the associated ensembles of atomistic configurations are characterized by coarse-grained variables capturing the large-scale structure of the system. A key facet of our approach is the identification of such coarse-grained variables. Evolution of these variables is governed by Langevin dynamics driven by thermal-average forces and mediated by diffusivities, both of which are constructed by an ensemble of short molecular dynamics runs. In the present approach, the thermal-average forces are modified to account for the entropy changes following from our knowledge of the free energy basins already discovered. Such forces guide the system away from the known free energy minima, over free energy barriers, and to a new one. The theory is demonstrated for lactoferrin, known to have multiple energy-minimizing structures. The approach is validated using experimental structures and traditional molecular dynamics. The method can be generalized to enable the interpretation of nanocharacterization data (e.g., ion mobility – mass spectrometry, atomic force microscopy, chemical labeling, and nanopore measurements). PMID:22423635

Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method

NASA Astrophysics Data System (ADS)

Macdonald, R. L.; Grover, M. S.; Schwartzentruber, T. E.; Panesi, M.

2018-02-01

This work presents the analysis of non-equilibrium energy transfer and dissociation of nitrogen molecules (N2(g+1Σ) ) using two different approaches: the direct molecular simulation (DMS) method and the coarse-grain quasi-classical trajectory (CG-QCT) method. The two methods are used to study thermochemical relaxation in a zero-dimensional isochoric and isothermal reactor in which the nitrogen molecules are heated to several thousand degrees Kelvin, forcing the system into strong non-equilibrium. The analysis considers thermochemical relaxation for temperatures ranging from 10 000 to 25 000 K. Both methods make use of the same potential energy surface for the N2(g+1Σ ) -N2(g+1Σ ) system taken from the NASA Ames quantum chemistry database. Within the CG-QCT method, the rovibrational energy levels of the electronic ground state of the nitrogen molecule are lumped into a reduced number of bins. Two different grouping strategies are used: the more conventional vibrational-based grouping, widely used in the literature, and energy-based grouping. The analysis of both the internal state populations and concentration profiles show excellent agreement between the energy-based grouping and the DMS solutions. During the energy transfer process, discrepancies arise between the energy-based grouping and DMS solution due to the increased importance of mode separation for low energy states. By contrast, the vibrational grouping, traditionally considered state-of-the-art, captures well the behavior of the energy relaxation but fails to consistently predict the dissociation process. The deficiency of the vibrational grouping model is due to the assumption of strict mode separation and equilibrium of rotational energy states. These assumptions result in errors predicting the energy contribution to dissociation from the rotational and vibrational modes, with rotational energy actually contributing 30%-40% of the energy required to dissociate a molecule. This work confirms the findings discussed in Paper I [R. L. Macdonald et al., J. Chem. Phys. 148, 054309 (2018)], which underlines the importance of rotational energy to the dissociation process, and demonstrates that an accurate non-equilibrium chemistry model must accurately predict the deviation of rovibrational distribution from equilibrium.

Construction of a coarse-grain quasi-classical trajectory method. II. Comparison against the direct molecular simulation method.

PubMed

Macdonald, R L; Grover, M S; Schwartzentruber, T E; Panesi, M

2018-02-07

This work presents the analysis of non-equilibrium energy transfer and dissociation of nitrogen molecules (N 2 (Σg+1)) using two different approaches: the direct molecular simulation (DMS) method and the coarse-grain quasi-classical trajectory (CG-QCT) method. The two methods are used to study thermochemical relaxation in a zero-dimensional isochoric and isothermal reactor in which the nitrogen molecules are heated to several thousand degrees Kelvin, forcing the system into strong non-equilibrium. The analysis considers thermochemical relaxation for temperatures ranging from 10 000 to 25 000 K. Both methods make use of the same potential energy surface for the N 2 (Σg+1)-N 2 (Σg+1) system taken from the NASA Ames quantum chemistry database. Within the CG-QCT method, the rovibrational energy levels of the electronic ground state of the nitrogen molecule are lumped into a reduced number of bins. Two different grouping strategies are used: the more conventional vibrational-based grouping, widely used in the literature, and energy-based grouping. The analysis of both the internal state populations and concentration profiles show excellent agreement between the energy-based grouping and the DMS solutions. During the energy transfer process, discrepancies arise between the energy-based grouping and DMS solution due to the increased importance of mode separation for low energy states. By contrast, the vibrational grouping, traditionally considered state-of-the-art, captures well the behavior of the energy relaxation but fails to consistently predict the dissociation process. The deficiency of the vibrational grouping model is due to the assumption of strict mode separation and equilibrium of rotational energy states. These assumptions result in errors predicting the energy contribution to dissociation from the rotational and vibrational modes, with rotational energy actually contributing 30%-40% of the energy required to dissociate a molecule. This work confirms the findings discussed in Paper I [R. L. Macdonald et al., J. Chem. Phys. 148, 054309 (2018)], which underlines the importance of rotational energy to the dissociation process, and demonstrates that an accurate non-equilibrium chemistry model must accurately predict the deviation of rovibrational distribution from equilibrium.

The stochastic energy-Casimir method

NASA Astrophysics Data System (ADS)

Arnaudon, Alexis; Ganaba, Nader; Holm, Darryl D.

2018-04-01

In this paper, we extend the energy-Casimir stability method for deterministic Lie-Poisson Hamiltonian systems to provide sufficient conditions for stability in probability of stochastic dynamical systems with symmetries. We illustrate this theory with classical examples of coadjoint motion, including the rigid body, the heavy top, and the compressible Euler equation in two dimensions. The main result is that stable deterministic equilibria remain stable in probability up to a certain stopping time that depends on the amplitude of the noise for finite-dimensional systems and on the amplitude of the spatial derivative of the noise for infinite-dimensional systems. xml:lang="fr"

Load Frequency Control by use of a Number of Both Heat Pump Water Heaters and Electric Vehicles in Power System with a Large Integration of Renewable Energy Sources

NASA Astrophysics Data System (ADS)

Masuta, Taisuke; Shimizu, Koichiro; Yokoyama, Akihiko

In Japan, from the viewpoints of global warming countermeasures and energy security, it is expected to establish a smart grid as a power system into which a large amount of generation from renewable energy sources such as wind power generation and photovoltaic generation can be installed. Measures for the power system stability and reliability are necessary because a large integration of these renewable energy sources causes some problems in power systems, e.g. frequency fluctuation and distribution voltage rise, and Battery Energy Storage System (BESS) is one of effective solutions to these problems. Due to a high cost of the BESS, our research group has studied an application of controllable loads such as Heat Pump Water Heater (HPWH) and Electric Vehicle (EV) to the power system control for reduction of the required capacity of BESS. This paper proposes a new coordinated Load Frequency Control (LFC) method for the conventional power plants, the BESS, the HPWHs, and the EVs. The performance of the proposed LFC method is evaluated by the numerical simulations conducted on a power system model with a large integration of wind power generation and photovoltaic generation.

A Study on Electric Power Smoothing System for Lead-Acid Battery of Stand-Alone Natural Energy Power System Using EDLC

NASA Astrophysics Data System (ADS)

Jia, Yan; Shibata, Ryosuke; Yamamura, Naoki; Ishida, Muneaki

To resolve energy shortage and global warming problem, renewable natural resource and its power system has been gradually generalizing. However, the power fluctuation suppressing in short period and the balance control of consumption and supply in long period are two of main problems that need to be resolved urgently in natural energy power system. In Stand-alone Natural Energy Power System (SNEPS) with power energy storage devices, power fluctuation in short period is one of the main reasons that recharge cycle times increase and lead-acid battery early failure. Hence, to prolong the service life of lead-acid battery and improve power quality through suppressing the power fluctuation, we proposed a method of electric power smoothing for lead-acid battery of SNEPS using bi-directional Buck/Boost converter and Electric Double Layer Capacitor (EDLC) in this paper. According to the test data of existing SNEPS, a power fluctuation condition is selected and as an example to analyze the validity of the proposed method. The analysis of frequency characteristics indicates the power fluctuation is suppressed a desired range in the target frequency region. The experimental results of confirmed the feasibility of the proposed system and the results well satisfy the requirement of system design.

Hybrid drive for motor vehicles with a preponderantly intermittent method of operation

NASA Technical Reports Server (NTRS)

Schreck, H.

1977-01-01

A flywheel hybrid propulsion system is compared with a conventional propulsion system in a test vehicle under intermittent operation. An energy balance is presented for the conventional propulsion system. Results so far indicate especially high energy conversion of the gyro component under dynamic operation along with favorable internal combustion engine conditions.

Method and system for hydrogen evolution and storage

DOEpatents

Thorn, David L.; Tumas, William; Hay, P. Jeffrey; Schwarz, Daniel E.; Cameron, Thomas M.

2012-12-11

A method and system for storing and evolving hydrogen (H.sub.2) employ chemical compounds that can be hydrogenated to store hydrogen and dehydrogenated to evolve hydrogen. A catalyst lowers the energy required for storing and evolving hydrogen. The method and system can provide hydrogen for devices that consume hydrogen as fuel.

Screening reservoir systems by considering the efficient trade-offs—informing infrastructure investment decisions on the Blue Nile

NASA Astrophysics Data System (ADS)

Geressu, Robel T.; Harou, Julien J.

2015-12-01

Multi-reservoir system planners should consider how new dams impact downstream reservoirs and the potential contribution of each component to coordinated management. We propose an optimized multi-criteria screening approach to identify best performing designs, i.e., the selection, size and operating rules of new reservoirs within multi-reservoir systems. Reservoir release operating rules and storage sizes are optimized concurrently for each separate infrastructure design under consideration. Outputs reveal system trade-offs using multi-dimensional scatter plots where each point represents an approximately Pareto-optimal design. The method is applied to proposed Blue Nile River reservoirs in Ethiopia, where trade-offs between total and firm energy output, aggregate storage and downstream irrigation and energy provision for the best performing designs are evaluated. This proof-of concept study shows that recommended Blue Nile system designs would depend on whether monthly firm energy or annual energy is prioritized. 39 TWh/yr of energy potential is available from the proposed Blue Nile reservoirs. The results show that depending on the amount of energy deemed sufficient, the current maximum capacities of the planned reservoirs could be larger than they need to be. The method can also be used to inform which of the proposed reservoir type and their storage sizes would allow for the highest downstream benefits to Sudan in different objectives of upstream operating objectives (i.e., operated to maximize either average annual energy or firm energy). The proposed approach identifies the most promising system designs, reveals how they imply different trade-offs between metrics of system performance, and helps system planners asses the sensitivity of overall performance to the design parameters of component reservoirs.

Systems and methods for detecting an image of an object using multi-beam imaging from an X-ray beam having a polychromatic distribution

DOEpatents

Parham, Christopher A; Zhong, Zhong; Pisano, Etta; Connor, Jr., Dean M

2015-03-03

Systems and methods for detecting an image of an object using a multi-beam imaging system from an x-ray beam having a polychromatic energy distribution are disclosed. According to one aspect, a method can include generating a first X-ray beam having a polychromatic energy distribution. Further, the method can include positioning a plurality of monochromator crystals in a predetermined position to directly intercept the first X-ray beam such that a plurality of second X-ray beams having predetermined energy levels are produced. Further, an object can be positioned in the path of the second X-ray beams for transmission of the second X-ray beams through the object and emission from the object as transmitted X-ray beams. The transmitted X-ray beams can each be directed at an angle of incidence upon one or more crystal analyzers. Further, an image of the object can be detected from the beams diffracted from the analyzer crystals.

Acoustic microscope surface inspection system and method

DOEpatents

Khuri-Yakub, Butrus T.; Parent, Philippe; Reinholdtsen, Paul A.

1991-01-01

An acoustic microscope surface inspection system and method in which pulses of high frequency electrical energy are applied to a transducer which forms and focuses acoustic energy onto a selected location on the surface of an object and receives energy from the location and generates electrical pulses. The phase of the high frequency electrical signal pulses are stepped with respected to the phase of a reference signal at said location. An output signal is generated which is indicative of the surface of said selected location. The object is scanned to provide output signals representative of the surface at a plurality of surface locations.

24 CFR 241.540 - Method of loan payment and amortization period.

Code of Federal Regulations, 2011 CFR

2011-04-01

...-Supplemental Loans To Finance Purchase and Installation of Energy Conserving Improvements, Solar Energy Systems.... No energy saving loan shall have an amortization period in excess of 15 years unless the amount of...

24 CFR 241.540 - Method of loan payment and amortization period.

Code of Federal Regulations, 2010 CFR

2010-04-01

...-Supplemental Loans To Finance Purchase and Installation of Energy Conserving Improvements, Solar Energy Systems.... No energy saving loan shall have an amortization period in excess of 15 years unless the amount of...

24 CFR 241.540 - Method of loan payment and amortization period.

Code of Federal Regulations, 2014 CFR

2014-04-01

...-Supplemental Loans To Finance Purchase and Installation of Energy Conserving Improvements, Solar Energy Systems.... No energy saving loan shall have an amortization period in excess of 15 years unless the amount of...

24 CFR 241.540 - Method of loan payment and amortization period.

Code of Federal Regulations, 2012 CFR

2012-04-01

...-Supplemental Loans To Finance Purchase and Installation of Energy Conserving Improvements, Solar Energy Systems.... No energy saving loan shall have an amortization period in excess of 15 years unless the amount of...

24 CFR 241.540 - Method of loan payment and amortization period.

Code of Federal Regulations, 2013 CFR

2013-04-01

...-Supplemental Loans To Finance Purchase and Installation of Energy Conserving Improvements, Solar Energy Systems.... No energy saving loan shall have an amortization period in excess of 15 years unless the amount of...

Apparatus and method for use in storing energy

DOEpatents

Sathrum, Aaron J.

2017-08-01

Some embodiments provide energy storage systems that comprise: a first electrode; a second electrode; an electrolyte; the first electrode, the second electrode and the electrolyte are positioned such that the electrolyte is in contact with at least the first electrode; and a polarity reversal system electrically coupled with the first electrode and the second electrode, wherein the polarity reversal system is configured to allow the energy storage system to operate while a first polarity to charge and discharge electrical energy while operating in the first polarity, and the polarity reversal system is configured to reverse the voltage polarity across the first and second electrodes to a second polarity to allow the energy storage system to continue to operate while the second polarity is established across the first electrode and the second electrode to continue to charge and discharge electrical energy while operating in the second polarity.

Development and Testing of Building Energy Model Using Non-Linear Auto Regression Artificial Neural Networks

NASA Astrophysics Data System (ADS)

Arida, Maya Ahmad

In 1972 sustainable development concept existed and during The years it became one of the most important solution to save natural resources and energy, but now with rising energy costs and increasing awareness of the effect of global warming, the development of building energy saving methods and models become apparently more necessary for sustainable future. According to U.S. Energy Information Administration EIA (EIA), today buildings in the U.S. consume 72 percent of electricity produced, and use 55 percent of U.S. natural gas. Buildings account for about 40 percent of the energy consumed in the United States, more than industry and transportation. Of this energy, heating and cooling systems use about 55 percent. If energy-use trends continue, buildings will become the largest consumer of global energy by 2025. This thesis proposes procedures and analysis techniques for building energy system and optimization methods using time series auto regression artificial neural networks. The model predicts whole building energy consumptions as a function of four input variables, dry bulb and wet bulb outdoor air temperatures, hour of day and type of day. The proposed model and the optimization process are tested using data collected from an existing building located in Greensboro, NC. The testing results show that the model can capture very well the system performance, and The optimization method was also developed to automate the process of finding the best model structure that can produce the best accurate prediction against the actual data. The results show that the developed model can provide results sufficiently accurate for its use in various energy efficiency and saving estimation applications.

Renewable Energy and Storage Implementation in Naval Station Pearl Harbor

DTIC Science & Technology

2015-06-01

less costly than GOCO in higherthan GOGO in higherthan COC in lowerthan GOGO (thi rd JBPHH example) JBPHH exampl e) JBPHHexample; 21% party) in J BPHH...Analysis of Project Cost, Perfomance, and Pricing Trends in the United States. Berkely , CA: Lawrence Berkeley National Laboratory. Bullis, K. (2013, May...Energy Method for Analyzing Renewable Energy Systems. IEEE Systems Journal, Vol 9 #1, 3. Czumak, C. J ., & Woodside, J . C. (2014). Energy Resiliency for

The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: analysis of the accuracy and application to liquid systems.

PubMed

Fukuda, Ikuo; Kamiya, Narutoshi; Nakamura, Haruki

2014-05-21

In the preceding paper [I. Fukuda, J. Chem. Phys. 139, 174107 (2013)], the zero-multipole (ZM) summation method was proposed for efficiently evaluating the electrostatic Coulombic interactions of a classical point charge system. The summation takes a simple pairwise form, but prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large energetic noises and significant artifacts. The purpose of this paper is to judge the ability of the ZM method by investigating the accuracy, parameter dependencies, and stability in applications to liquid systems. To conduct this, first, the energy-functional error was divided into three terms and each term was analyzed by a theoretical error-bound estimation. This estimation gave us a clear basis of the discussions on the numerical investigations. It also gave a new viewpoint between the excess energy error and the damping effect by the damping parameter. Second, with the aid of these analyses, the ZM method was evaluated based on molecular dynamics (MD) simulations of two fundamental liquid systems, a molten sodium-chlorine ion system and a pure water molecule system. In the ion system, the energy accuracy, compared with the Ewald summation, was better for a larger value of multipole moment l currently induced until l ≲ 3 on average. This accuracy improvement with increasing l is due to the enhancement of the excess-energy accuracy. However, this improvement is wholly effective in the total accuracy if the theoretical moment l is smaller than or equal to a system intrinsic moment L. The simulation results thus indicate L ∼ 3 in this system, and we observed less accuracy in l = 4. We demonstrated the origins of parameter dependencies appearing in the crossing behavior and the oscillations of the energy error curves. With raising the moment l we observed, smaller values of the damping parameter provided more accurate results and smoother behaviors with respect to cutoff length were obtained. These features can be explained, on the basis of the theoretical error analyses, such that the excess energy accuracy is improved with increasing l and that the total accuracy improvement within l ⩽ L is facilitated by a small damping parameter. Although the accuracy was fundamentally similar to the ion system, the bulk water system exhibited distinguishable quantitative behaviors. A smaller damping parameter was effective in all the practical cutoff distance, and this fact can be interpreted by the reduction of the excess subset. A lower moment was advantageous in the energy accuracy, where l = 1 was slightly superior to l = 2 in this system. However, the method with l = 2 (viz., the zero-quadrupole sum) gave accurate results for the radial distribution function. We confirmed the stability in the numerical integration for MD simulations employing the ZM scheme. This result is supported by the sufficient smoothness of the energy function. Along with the smoothness, the pairwise feature and the allowance of the atom-based cutoff mode on the energy formula lead to the exact zero total-force, ensuring the total-momentum conservations for typical MD equations of motion.

The zero-multipole summation method for estimating electrostatic interactions in molecular dynamics: Analysis of the accuracy and application to liquid systems

NASA Astrophysics Data System (ADS)

Fukuda, Ikuo; Kamiya, Narutoshi; Nakamura, Haruki

2014-05-01

In the preceding paper [I. Fukuda, J. Chem. Phys. 139, 174107 (2013)], the zero-multipole (ZM) summation method was proposed for efficiently evaluating the electrostatic Coulombic interactions of a classical point charge system. The summation takes a simple pairwise form, but prevents the electrically non-neutral multipole states that may artificially be generated by a simple cutoff truncation, which often causes large energetic noises and significant artifacts. The purpose of this paper is to judge the ability of the ZM method by investigating the accuracy, parameter dependencies, and stability in applications to liquid systems. To conduct this, first, the energy-functional error was divided into three terms and each term was analyzed by a theoretical error-bound estimation. This estimation gave us a clear basis of the discussions on the numerical investigations. It also gave a new viewpoint between the excess energy error and the damping effect by the damping parameter. Second, with the aid of these analyses, the ZM method was evaluated based on molecular dynamics (MD) simulations of two fundamental liquid systems, a molten sodium-chlorine ion system and a pure water molecule system. In the ion system, the energy accuracy, compared with the Ewald summation, was better for a larger value of multipole moment l currently induced until l ≲ 3 on average. This accuracy improvement with increasing l is due to the enhancement of the excess-energy accuracy. However, this improvement is wholly effective in the total accuracy if the theoretical moment l is smaller than or equal to a system intrinsic moment L. The simulation results thus indicate L ˜ 3 in this system, and we observed less accuracy in l = 4. We demonstrated the origins of parameter dependencies appearing in the crossing behavior and the oscillations of the energy error curves. With raising the moment l we observed, smaller values of the damping parameter provided more accurate results and smoother behaviors with respect to cutoff length were obtained. These features can be explained, on the basis of the theoretical error analyses, such that the excess energy accuracy is improved with increasing l and that the total accuracy improvement within l ⩽ L is facilitated by a small damping parameter. Although the accuracy was fundamentally similar to the ion system, the bulk water system exhibited distinguishable quantitative behaviors. A smaller damping parameter was effective in all the practical cutoff distance, and this fact can be interpreted by the reduction of the excess subset. A lower moment was advantageous in the energy accuracy, where l = 1 was slightly superior to l = 2 in this system. However, the method with l = 2 (viz., the zero-quadrupole sum) gave accurate results for the radial distribution function. We confirmed the stability in the numerical integration for MD simulations employing the ZM scheme. This result is supported by the sufficient smoothness of the energy function. Along with the smoothness, the pairwise feature and the allowance of the atom-based cutoff mode on the energy formula lead to the exact zero total-force, ensuring the total-momentum conservations for typical MD equations of motion.

Comparing Multiple Evapotranspiration-calculating Methods, Including Eddy Covariance and Surface Renewal, Using Empirical Measurements from Alfalfa Fields in the Sacramento-San Joaquin River Delta

NASA Astrophysics Data System (ADS)

Clay, J.; Kent, E. R.; Leinfelder-Miles, M.; Lambert, J. J.; Little, C.; Paw U, K. T.; Snyder, R. L.

2016-12-01

Eddy covariance and surface renewal measurements were used to estimate evapotranspiration (ET) over a variety of crop fields in the Sacramento-San Joaquin River Delta during the 2016 growing season. However, comparing and evaluating multiple measurement systems and methods for determining ET was focused upon at a single alfalfa site. The eddy covariance systems included two systems for direct measurement of latent heat flux: one using a separate sonic anemometer and an open path infrared gas analyzer and another using a combined system (Campbell Scientific IRGASON). For these methods, eddy covariance was used with measurements from the Campbell Scientific CSAT3, the LI-COR 7500a, the Campbell Scientific IRGASON, and an additional R.M. Young sonic anemometer. In addition to those direct measures, the surface renewal approach included several energy balance residual methods in which net radiation, ground heat flux, and sensible heat flux (H) were measured. H was measured using several systems and different methods, including using multiple fast-response thermocouple measurements and using the temperatures measured by the sonic anemometers. The energy available for ET was then calculated as the residual of the surface energy balance equation. Differences in ET values were analyzed between the eddy covariance and surface renewal methods, using the IRGASON-derived values of ET as the standard for accuracy.

The gravitational wave stress–energy (pseudo)-tensor in modified gravity

NASA Astrophysics Data System (ADS)

Saffer, Alexander; Yunes, Nicolás; Yagi, Kent

2018-03-01

The recent detections of gravitational waves by the advanced LIGO and Virgo detectors open up new tests of modified gravity theories in the strong-field and dynamical, extreme gravity regime. Such tests rely sensitively on the phase evolution of the gravitational waves, which is controlled by the energy–momentum carried by such waves out of the system. We here study four different methods for finding the gravitational wave stress–energy pseudo-tensor in gravity theories with any combination of scalar, vector, or tensor degrees of freedom. These methods rely on the second variation of the action under short-wavelength averaging, the second perturbation of the field equations in the short-wavelength approximation, the construction of an energy complex leading to a Landau–Lifshitz tensor, and the use of Noether’s theorem in field theories about a flat background. We apply these methods in general relativity, Jordan–Fierz–Brans–Dicky theoy, and Einstein-Æther theory to find the gravitational wave stress–energy pseudo-tensor and calculate the rate at which energy and linear momentum is carried away from the system. The stress–energy tensor and the rate of linear momentum loss in Einstein-Æther theory are presented here for the first time. We find that all methods yield the same rate of energy loss, although the stress–energy pseudo-tensor can be functionally different. We also find that the Noether method yields a stress–energy tensor that is not symmetric or gauge-invariant, and symmetrization via the Belinfante procedure does not fix these problems because this procedure relies on Lorentz invariance, which is spontaneously broken in Einstein-Æther theory. The methods and results found here will be useful for the calculation of predictions in modified gravity theories that can then be contrasted with observations.

Energy harvesting: an integrated view of materials, devices and applications.

PubMed

Radousky, H B; Liang, H

2012-12-21

Energy harvesting refers to the set of processes by which useful energy is captured from waste, environmental, or mechanical sources and is converted into a usable form. The discipline of energy harvesting is a broad topic that includes established methods and materials such as photovoltaics and thermoelectrics, as well as more recent technologies that convert mechanical energy, magnetic energy and waste heat to electricity. This article will review various state-of-the-art materials and devices for direct energy conversion and in particular will include multistep energy conversion approaches. The article will highlight the nano-materials science underlying energy harvesting principles and devices, but also include more traditional bulk processes and devices as appropriate and synergistic. Emphasis is placed on device-design innovations that lead to higher efficiency energy harvesting or conversion technologies ranging from the cm/mm-scale down to MEMS/NEMS (micro- and nano-electromechanical systems) devices. Theoretical studies are reviewed, which address transport properties, crystal chemistry, thermodynamic analysis, energy transfer, system efficiency and device operation. New developments in experimental methods; device design and fabrication; nanostructured materials fabrication; materials properties; and device performance measurement techniques are discussed.

Energy harvesting: an integrated view of materials, devices and applications

NASA Astrophysics Data System (ADS)

Radousky, H. B.; Liang, H.

2012-12-01

Energy harvesting refers to the set of processes by which useful energy is captured from waste, environmental, or mechanical sources and is converted into a usable form. The discipline of energy harvesting is a broad topic that includes established methods and materials such as photovoltaics and thermoelectrics, as well as more recent technologies that convert mechanical energy, magnetic energy and waste heat to electricity. This article will review various state-of-the-art materials and devices for direct energy conversion and in particular will include multistep energy conversion approaches. The article will highlight the nano-materials science underlying energy harvesting principles and devices, but also include more traditional bulk processes and devices as appropriate and synergistic. Emphasis is placed on device-design innovations that lead to higher efficiency energy harvesting or conversion technologies ranging from the cm/mm-scale down to MEMS/NEMS (micro- and nano-electromechanical systems) devices. Theoretical studies are reviewed, which address transport properties, crystal chemistry, thermodynamic analysis, energy transfer, system efficiency and device operation. New developments in experimental methods; device design and fabrication; nanostructured materials fabrication; materials properties; and device performance measurement techniques are discussed.

Interaction Entropy: A New Paradigm for Highly Efficient and Reliable Computation of Protein-Ligand Binding Free Energy.

PubMed

Duan, Lili; Liu, Xiao; Zhang, John Z H

2016-05-04

Efficient and reliable calculation of protein-ligand binding free energy is a grand challenge in computational biology and is of critical importance in drug design and many other molecular recognition problems. The main challenge lies in the calculation of entropic contribution to protein-ligand binding or interaction systems. In this report, we present a new interaction entropy method which is theoretically rigorous, computationally efficient, and numerically reliable for calculating entropic contribution to free energy in protein-ligand binding and other interaction processes. Drastically different from the widely employed but extremely expensive normal mode method for calculating entropy change in protein-ligand binding, the new method calculates the entropic component (interaction entropy or -TΔS) of the binding free energy directly from molecular dynamics simulation without any extra computational cost. Extensive study of over a dozen randomly selected protein-ligand binding systems demonstrated that this interaction entropy method is both computationally efficient and numerically reliable and is vastly superior to the standard normal mode approach. This interaction entropy paradigm introduces a novel and intuitive conceptual understanding of the entropic effect in protein-ligand binding and other general interaction systems as well as a practical method for highly efficient calculation of this effect.

Control, Filtering and Prediction for Phased Arrays in Directed Energy Systems

DTIC Science & Technology

2016-04-30

adaptive optics. 15. SUBJECT TERMS control, filtering, prediction, system identification, adaptive optics, laser beam pointing, target tracking, phase... laser beam control; furthermore, wavefront sensors are plagued by the difficulty of maintaining the required alignment and focusing in dynamic mission...developed new methods for filtering, prediction and system identification in adaptive optics for high energy laser systems including phased arrays. The

National Wind Technology Center | NREL

Science.gov Websites

. Wind Energy Research Wind turbine blade Wind energy research at the NWTC allows for validation and verification of large and small components and wind turbine systems. Photo by Dennis Schroeder / NREL 40935 Wind energy research at the NWTC has pioneered wind turbine components, systems, and modeling methods

International Conference on Nanoscience - Young Giants of Nanoscience, 2016

DTIC Science & Technology

2017-10-12

Nanoelectronics • Nanoptics • Catalysis • Sense and Response Systems • Energy Conversion and Storage • Stimuli-responsive materials • Molecular motors...This issue will address the following topics: advanced nanointerfaces research in energy , medicine, optics, flexible electronics and nanofabrication...Methods • Nanomedicine • Nanoelectronics • Nanoptics • Catalysis • Sense and Response Systems • Energy Conversion and Storage • Stimuli

System-independent characterization of materials using dual-energy computed tomography

DOE PAGES

Azevedo, Stephen G.; Martz, Jr., Harry E.; Aufderheide, III, Maurice B.; ...

2016-02-01

In this study, we present a new decomposition approach for dual-energy computed tomography (DECT) called SIRZ that provides precise and accurate material description, independent of the scanner, over diagnostic energy ranges (30 to 200 keV). System independence is achieved by explicitly including a scanner-specific spectral description in the decomposition method, and a new X-ray-relevant feature space. The feature space consists of electron density, ρ e, and a new effective atomic number, Z e, which is based on published X-ray cross sections. Reference materials are used in conjunction with the system spectral response so that additional beam-hardening correction is not necessary.more » The technique is tested against other methods on DECT data of known specimens scanned by diverse spectra and systems. Uncertainties in accuracy and precision are less than 3% and 2% respectively for the (ρ e, Z e) results compared to prior methods that are inaccurate and imprecise (over 9%).« less

Energy barrier of bcc-fcc phase transition via the Bain path in Yukawa system

NASA Astrophysics Data System (ADS)

Kiyokawa, Shuji

2018-05-01

In the Yukawa system with the dimensionless screening parameter κ>1.5 , when bcc-fcc transition occurs via Bain path, we show that spontaneous transitions do not occur even if the system temperature reaches the transition point of bcc-fcc because it is necessary to increase once the free energy in the process of transition from bcc to fcc through Bain deformation. Here, we refer the temporary increment of the free energy during Bain deformation as Bain barrier. Since there are the Bain barriers at the transitions between bcc and fcc phases, these phases may coexist as metastable state in the wide region (not a coexistence line) of κ and the coupling constant Γ. We study the excess energy of the system and the free energy difference between bcc and fcc phases by the Monte Carlo method, where the simulation box is divided into a large number of elements with small volume and a particle in the box is restricted be placed in one of these elements. By this method, we can tabulate the values of the interparticle potential and can calculate the internal energy fast and precisely.

Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

PubMed Central

2015-01-01

Metadynamics is an enhanced sampling method designed to flatten free energy surfaces uniformly. However, the highest-energy regions are often irrelevant to study and dangerous to explore because systems often change irreversibly in unforeseen ways in response to driving forces in these regions, spoiling the sampling. Introducing an on-the-fly domain restriction allows metadynamics to flatten only up to a specified energy level and no further, improving efficiency and safety while decreasing the pressure on practitioners to design collective variables that are robust to otherwise irrelevant high energy driving. This paper describes a new method that achieves this using sequential on-the-fly estimation of energy wells and redefinition of the metadynamics hill shape, termed metabasin metadynamics. The energy level may be defined a priori or relative to unknown barrier energies estimated on-the-fly. Altering only the hill ensures that the method is compatible with many other advances in metadynamics methodology. The hill shape has a natural interpretation in terms of multiscale dynamics, and the computational overhead in simulation is minimal when studying systems of any reasonable size, for instance proteins or other macromolecules. Three example applications show that the formula is accurate and robust to complex dynamics, making metadynamics significantly more forgiving with respect to CV quality and thus more feasible to apply to the most challenging biomolecular systems. PMID:26587809

A generalized any particle propagator theory: Assessment of nuclear quantum effects on electron propagator calculations

NASA Astrophysics Data System (ADS)

Romero, Jonathan; Posada, Edwin; Flores-Moreno, Roberto; Reyes, Andrés

2012-08-01

In this work we propose an extended propagator theory for electrons and other types of quantum particles. This new approach has been implemented in the LOWDIN package and applied to sample calculations of atomic and small molecular systems to determine its accuracy and performance. As a first application of the method we have studied the nuclear quantum effects on electron ionization energies. We have observed that ionization energies of atoms are similar to those obtained with the electron propagator approach. However, for molecular systems containing hydrogen atoms there are improvements in the quality of the results with the inclusion of nuclear quantum effects. An energy term analysis has allowed us to conclude that nuclear quantum effects are important for zero order energies whereas propagator results correct the electron and electron-nuclear correlation terms. Results presented for a series of n-alkanes have revealed the potential of this method for the accurate calculation of ionization energies of a wide variety of molecular systems containing hydrogen nuclei. The proposed methodology will also be applicable to exotic molecular systems containing positrons or muons.

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

Friese, Ryan; Khemka, Bhavesh; Maciejewski, Anthony A

Rising costs of energy consumption and an ongoing effort for increases in computing performance are leading to a significant need for energy-efficient computing. Before systems such as supercomputers, servers, and datacenters can begin operating in an energy-efficient manner, the energy consumption and performance characteristics of the system must be analyzed. In this paper, we provide an analysis framework that will allow a system administrator to investigate the tradeoffs between system energy consumption and utility earned by a system (as a measure of system performance). We model these trade-offs as a bi-objective resource allocation problem. We use a popular multi-objective geneticmore » algorithm to construct Pareto fronts to illustrate how different resource allocations can cause a system to consume significantly different amounts of energy and earn different amounts of utility. We demonstrate our analysis framework using real data collected from online benchmarks, and further provide a method to create larger data sets that exhibit similar heterogeneity characteristics to real data sets. This analysis framework can provide system administrators with insight to make intelligent scheduling decisions based on the energy and utility needs of their systems.« less

ACMV Energy Analysis for Academic Building: A Case Study

NASA Astrophysics Data System (ADS)

Hywel, R.; Tee, B. T.; Arifin, M. Y.; Tan, C. F.; Gan, C. K.; Chong, CT

2015-09-01

Building energy audit examines the ways actual energy consumption is currently used in the facility, in the case of a completed and occupied building and identifies some alternatives to reduce current energy usage. Implementation of energy audit are practically used to analyze energy consumption pattern, monitoring on how the energy used varies with time in the building, how the system element interrelate, and study the effect of external environment towards building. In this case study, a preliminary energy audit is focusing on Air-Conditioning & Mechanical Ventilation (ACMV) system which reportedly consumed 40% of the total energy consumption in typical building. It is also the main system that provides comfortable and healthy environment for the occupants. The main purpose of this study is to evaluate the current ACMV system performance, energy optimization and identifying the energy waste on UTeM's academic building. To attain this, the preliminary data is collected and then analyzed. Based on the data, economic analysis will be determined before cost-saving methods are being proposed.

First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory

NASA Astrophysics Data System (ADS)

Hashemi, Zohreh; Rafiezadeh, Shohreh; Hafizi, Roohollah; Hashemifar, S. Javad; Akbarzadeh, Hadi

2018-04-01

Evolutionary algorithm is combined with full-potential ab initio calculations to investigate conformational space of (MoS2)n and (MoSe2)n (n = 1-10) nanoclusters and to identify the lowest energy structural isomers of these systems. It is argued that within both BLYP and PBE functionals, these nanoclusters favor sandwiched planar configurations, similar to their ideal planar sheets. The second order difference in total energy (Δ2 E) of the lowest energy isomers is computed to estimate the abundance of the clusters at different sizes and to determine the magic sizes of (MoS2)n and (MoSe2)n nanoclusters. In order to investigate the electronic properties of nanoclusters, their energy gap is calculated by several methods, including hybrid functionals (B3LYP and PBE0), GW approach, and Δ scf method. At the end, the vibrational modes of the lowest lying isomers are calculated by using the force constants method and the IR active modes of the systems are identified. The vibrational spectra are used to calculate the Helmholtz free energy of the systems and then to investigate abundance of the nanoclusters at finite temperatures.

Micro-grid platform based on NODE.JS architecture, implemented in electrical network instrumentation

NASA Astrophysics Data System (ADS)

Duque, M.; Cando, E.; Aguinaga, A.; Llulluna, F.; Jara, N.; Moreno, T.

2016-05-01

In this document, I propose a theory about the impact of systems based on microgrids in non-industrialized countries that have the goal to improve energy exploitation through alternatives methods of a clean and renewable energy generation and the creation of the app to manage the behavior of the micro-grids based on the NodeJS, Django and IOJS technologies. The micro-grids allow the optimal way to manage energy flow by electric injection directly in electric network small urban's cells in a low cost and available way. In difference from conventional systems, micro-grids can communicate between them to carry energy to places that have higher demand in accurate moments. This system does not require energy storage, so, costs are lower than conventional systems like fuel cells, solar panels or else; even though micro-grids are independent systems, they are not isolated. The impact that this analysis will generate, is the improvement of the electrical network without having greater control than an intelligent network (SMART-GRID); this leads to move to a 20% increase in energy use in a specified network; that suggest there are others sources of energy generation; but for today's needs, we need to standardize methods and remain in place to support all future technologies and the best option are the Smart Grids and Micro-Grids.

Variational and PDE-Based Methods for Big Data Analysis, Classification and Image Processing Using Graphs

DTIC Science & Technology

2015-01-01

explain the accuracy and speed increase. Exploring the underlying connections of the energy evolution of these methods and the energy landscape for the...unwanted trivial global minimizers from the energy landscape . Note that the second eigenvector of the Laplacian already provides a solution to a cut...von Brecht. Convergence and energy landscape for Cheeger cut clustering. Advances in Neural Information Processing Systems, 25:1394– 1402, 2012. [13] X

Resonant frequency method for bearing ball inspection

DOEpatents

Khuri-Yakub, B. T.; Hsieh, Chung-Kao

1993-01-01

The present invention provides for an inspection system and method for detecting defects in test objects which includes means for generating expansion inducing energy focused upon the test object at a first location, such expansion being allowed to contract, thereby causing pressure wave within and on the surface of the test object. Such expansion inducing energy may be provided by, for example, a laser beam or ultrasonic energy. At a second location, the amplitudes and phases of the acoustic waves are detected and the resonant frequencies' quality factors are calculated and compared to predetermined quality factor data, such comparison providing information of whether the test object contains a defect. The inspection system and method also includes means for mounting the bearing ball for inspection.

Resonant frequency method for bearing ball inspection

DOEpatents

Khuri-Yakub, B.T.; Chungkao Hsieh.

1993-11-02

The present invention provides for an inspection system and method for detecting defects in test objects which includes means for generating expansion inducing energy focused upon the test object at a first location, such expansion being allowed to contract, thereby causing pressure wave within and on the surface of the test object. Such expansion inducing energy may be provided by, for example, a laser beam or ultrasonic energy. At a second location, the amplitudes and phases of the acoustic waves are detected and the resonant frequencies' quality factors are calculated and compared to predetermined quality factor data, such comparison providing information of whether the test object contains a defect. The inspection system and method also includes means for mounting the bearing ball for inspection. 5 figures.

Feasibility of antihydrogen atom containment in helium: a problem of electron-positron correlation investigated by the Monte Carol method

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

Jackman, T.M.

1987-01-01

A theoretical investigation of the interaction potential between the helium atom and the antihydrogen atom was performed for the purpose of determining the feasibility of antihydrogen atom containment. The interaction potential showed an energy barrier to collapse of this system. A variational estimate of the height of this energy barrier and estimates of lifetime with respect to electron-positron annihilation were determined by the Variational Monte Carlo method. This calculation allowed for an improvement over an SCF result through the inclusion of explicit correlation factors in the trial wave function. An estimate of the correlation energy of this system was determinedmore » by the Green's Function Monte Carlo (GFMC) method.« less

Method for nonlinear optimization for gas tagging and other systems

DOEpatents

Chen, Ting; Gross, Kenny C.; Wegerich, Stephan

1998-01-01

A method and system for providing nuclear fuel rods with a configuration of isotopic gas tags. The method includes selecting a true location of a first gas tag node, selecting initial locations for the remaining n-1 nodes using target gas tag compositions, generating a set of random gene pools with L nodes, applying a Hopfield network for computing on energy, or cost, for each of the L gene pools and using selected constraints to establish minimum energy states to identify optimal gas tag nodes with each energy compared to a convergence threshold and then upon identifying the gas tag node continuing this procedure until establishing the next gas tag node until all remaining n nodes have been established.

Method for nonlinear optimization for gas tagging and other systems

DOEpatents

Chen, T.; Gross, K.C.; Wegerich, S.

1998-01-06

A method and system are disclosed for providing nuclear fuel rods with a configuration of isotopic gas tags. The method includes selecting a true location of a first gas tag node, selecting initial locations for the remaining n-1 nodes using target gas tag compositions, generating a set of random gene pools with L nodes, applying a Hopfield network for computing on energy, or cost, for each of the L gene pools and using selected constraints to establish minimum energy states to identify optimal gas tag nodes with each energy compared to a convergence threshold and then upon identifying the gas tag node continuing this procedure until establishing the next gas tag node until all remaining n nodes have been established. 6 figs.

Applications of thermal energy storage in the cement industry

NASA Technical Reports Server (NTRS)

Jaeger, F. A.; Beshore, D. G.; Miller, F. M.; Gartner, E. M.

1978-01-01

In the manufacture of cement, literally trillions of Btu's are rejected to the environment each year. The purpose of this feasibility study program was to determine whether thermal energy storage could be used to conserve or allow alternative uses of this rejected energy. This study identifies and quantifies the sources of rejected energy in the cement manufacturing process, established use of this energy, investigates various storage system concepts, and selects energy conservation systems for further study. Thermal performance and economic analyses are performed on candidate storage systems for four typical cement plants representing various methods of manufacturing cement. Through the use of thermal energy storage in conjunction with waste heat electric power generation units, an estimated 2.4 x 10 to the 13th power Btu/year, or an equivalent on investment of the proposed systems are an incentive for further development.

Is Passive or Active House Needed In Face of Global Warming?

NASA Astrophysics Data System (ADS)

Tamosaitis, Romualdas

2017-10-01

The article aims to determine how effective the stricter current requirements for the building envelope insolation are from the economic energy savings perspective. The article deals with a mathematical method for economic assessment of optimal building thermal insulation. The mathematical methods used in this article are based on evaluating the break-even point between the construction expenditures and the economic profit. Recent research shows that energy savings achieved solely through stricter standards applied to the building envelopes are limited in their ability to achieve maximum results. As the ratio of building volume to building envelope increases, further energy saving measures applied to the building envelope produce lower energy saving effects. Energy savings achieved using renewable energy resources, recuperation systems are much more effective. Research shows that much greater effect can be achieved by combining optimal building envelope energy efficiency measures with new requirements related to renewable energy sources and recuperating systems, such as solar batteries, wind turbines or heat pumps.

Phased Array Mirror Extendible Large Aperture (PAMELA) Optics Adjustment

NASA Technical Reports Server (NTRS)

1995-01-01

Scientists at Marshall's Adaptive Optics Lab demonstrate the Wave Front Sensor alignment using the Phased Array Mirror Extendible Large Aperture (PAMELA) optics adjustment. The primary objective of the PAMELA project is to develop methods for aligning and controlling adaptive optics segmented mirror systems. These systems can be used to acquire or project light energy. The Next Generation Space Telescope is an example of an energy acquisition system that will employ segmented mirrors. Light projection systems can also be used for power beaming and orbital debris removal. All segmented optical systems must be adjusted to provide maximum performance. PAMELA is an on going project that NASA is utilizing to investigate various methods for maximizing system performance.

Laser interlock system

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

Woodruff, Steven D; Mcintyre, Dustin L

2015-01-13

A method and device for providing a laser interlock having a first optical source, a first beam splitter, a second optical source, a detector, an interlock control system, and a means for producing dangerous optical energy. The first beam splitter is optically connected to the first optical source, the first detector and the second optical source. The detector is connected to the interlock control system. The interlock control system is connected to the means for producing dangerous optical energy and configured to terminate its optical energy production upon the detection of optical energy at the detector from the second opticalmore » source below a predetermined detector threshold. The second optical source produces an optical energy in response to optical energy from the first optical source. The optical energy from the second optical source has a different wavelength, polarization, modulation or combination thereof from the optical energy of the first optical source.« less

Thermodynamic free energy methods to investigate shape transitions in bilayer membranes.

PubMed

Ramakrishnan, N; Tourdot, Richard W; Radhakrishnan, Ravi

2016-06-01

The conformational free energy landscape of a system is a fundamental thermodynamic quantity of importance particularly in the study of soft matter and biological systems, in which the entropic contributions play a dominant role. While computational methods to delineate the free energy landscape are routinely used to analyze the relative stability of conformational states, to determine phase boundaries, and to compute ligand-receptor binding energies its use in problems involving the cell membrane is limited. Here, we present an overview of four different free energy methods to study morphological transitions in bilayer membranes, induced either by the action of curvature remodeling proteins or due to the application of external forces. Using a triangulated surface as a model for the cell membrane and using the framework of dynamical triangulation Monte Carlo, we have focused on the methods of Widom insertion, thermodynamic integration, Bennett acceptance scheme, and umbrella sampling and weighted histogram analysis. We have demonstrated how these methods can be employed in a variety of problems involving the cell membrane. Specifically, we have shown that the chemical potential, computed using Widom insertion, and the relative free energies, computed using thermodynamic integration and Bennett acceptance method, are excellent measures to study the transition from curvature sensing to curvature inducing behavior of membrane associated proteins. The umbrella sampling and WHAM analysis has been used to study the thermodynamics of tether formation in cell membranes and the quantitative predictions of the computational model are in excellent agreement with experimental measurements. Furthermore, we also present a method based on WHAM and thermodynamic integration to handle problems related to end-point-catastrophe that are common in most free energy methods.

Systematic implementation of spectral CT with a photon counting detector for liquid security inspection

NASA Astrophysics Data System (ADS)

Xu, Xiaofei; Xing, Yuxiang; Wang, Sen; Zhang, Li

2018-06-01

X-ray liquid security inspection system plays an important role in homeland security, while the conventional dual-energy CT (DECT) system may have a big deviation in extracting the atomic number and the electron density of materials in various conditions. Photon counting detectors (PCDs) have the capability of discriminating the incident photons of different energy. The technique becomes more and more mature in nowadays. In this work, we explore the performance of a multi-energy CT imaging system with a PCD for liquid security inspection in material discrimination. We used a maximum-likelihood (ML) decomposition method with scatter correction based on a cross-energy response model (CERM) for PCDs so that to improve the accuracy of atomic number and electronic density imaging. Experimental study was carried to examine the effectiveness and robustness of the proposed system. Our results show that the concentration of different solutions in physical phantoms can be reconstructed accurately, which could improve the material identification compared to current available dual-energy liquid security inspection systems. The CERM-base decomposition and reconstruction method can be easily used to different applications such as medical diagnosis.

Event by event analysis and entropy of multiparticle systems

NASA Astrophysics Data System (ADS)

Bialas, A.; Czyz, W.

2000-04-01

The coincidence method of measuring the entropy of a system, proposed some time ago by Ma, is generalized to include systems out of equilibrium. It is suggested that the method can be adapted to analyze multiparticle states produced in high-energy collisions.

Motion-mode energy method for vehicle dynamics analysis and control

NASA Astrophysics Data System (ADS)

Zhang, Nong; Wang, Lifu; Du, Haiping

2014-01-01

Vehicle motion and vibration control is a fundamental motivation for the development of advanced vehicle suspension systems. In a vehicle-fixed coordinate system, the relative motions of the vehicle between body and wheel can be classified into several dynamic stages based on energy intensity, and can be decomposed into sets of uncoupled motion-modes according to modal parameters. Vehicle motions are coupled, but motion-modes are orthogonal. By detecting and controlling the predominating vehicle motion-mode, the system cost and energy consumption of active suspensions could be reduced. A motion-mode energy method (MEM) is presented in this paper to quantify the energy contribution of each motion-mode to vehicle dynamics in real time. The control of motion-modes is prioritised according to the level of motion-mode energy. Simulation results on a 10 degree-of-freedom nonlinear full-car model with the magic-formula tyre model illustrate the effectiveness of the proposed MEM. The contribution of each motion-mode to the vehicle's dynamic behaviour is analysed under different excitation inputs from road irregularities, directional manoeuvres and braking. With the identified dominant motion-mode, novel cost-effective suspension systems, such as active reconfigurable hydraulically interconnected suspension, can possibly be used to control full-car motions with reduced energy consumption. Finally, discussion, conclusions and suggestions for future work are provided.

Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)

NASA Astrophysics Data System (ADS)

Pinski, Peter; Neese, Frank

2018-01-01

Electron correlation methods based on pair natural orbitals (PNOs) have gained an increasing degree of interest in recent years, as they permit energy calculations to be performed on systems containing up to many hundred atoms, while maintaining chemical accuracy for reaction energies. We present an approach for taking exact analytical first derivatives of the energy contributions in the simplest method of the family of Domain-based Local Pair Natural Orbital (DLPNO) methods, closed-shell DLPNO-MP2. The Lagrangian function contains constraints to account for the relaxation of PNOs. RI-MP2 reference geometries are reproduced accurately, as exemplified for four systems with a substantial degree of nonbonding interactions. By the example of electric field gradients, we demonstrate that omitting PNO-specific constraints can lead to dramatic errors for orbital-relaxed properties.

Real time method and computer system for identifying radioactive materials from HPGe gamma-ray spectroscopy

DOEpatents

Rowland, Mark S.; Howard, Douglas E.; Wong, James L.; Jessup, James L.; Bianchini, Greg M.; Miller, Wayne O.

2007-10-23

A real-time method and computer system for identifying radioactive materials which collects gamma count rates from a HPGe gamma-radiation detector to produce a high-resolution gamma-ray energy spectrum. A library of nuclear material definitions ("library definitions") is provided, with each uniquely associated with a nuclide or isotope material and each comprising at least one logic condition associated with a spectral parameter of a gamma-ray energy spectrum. The method determines whether the spectral parameters of said high-resolution gamma-ray energy spectrum satisfy all the logic conditions of any one of the library definitions, and subsequently uniquely identifies the material type as that nuclide or isotope material associated with the satisfied library definition. The method is iteratively repeated to update the spectrum and identification in real time.

A new multigroup method for cross-sections that vary rapidly in energy

DOE PAGES

Haut, Terry Scot; Ahrens, Cory D.; Jonko, Alexandra; ...

2016-11-04

Here, we present a numerical method for solving the time-independent thermal radiative transfer (TRT) equation or the neutron transport (NT) equation when the opacity (cross-section) varies rapidly in frequency (energy) on the microscale ε; ε corresponds to the characteristic spacing between absorption lines or resonances, and is much smaller than the macroscopic frequency (energy) variation of interest. The approach is based on a rigorous homogenization of the TRT/NT equation in the frequency (energy) variable. Discretization of the homogenized TRT/NT equation results in a multigroup-type system, and can therefore be solved by standard methods.

Varying-energy CT imaging method based on EM-TV

NASA Astrophysics Data System (ADS)

Chen, Ping; Han, Yan

2016-11-01

For complicated structural components with wide x-ray attenuation ranges, conventional fixed-energy computed tomography (CT) imaging cannot obtain all the structural information. This limitation results in a shortage of CT information because the effective thickness of the components along the direction of x-ray penetration exceeds the limit of the dynamic range of the x-ray imaging system. To address this problem, a varying-energy x-ray CT imaging method is proposed. In this new method, the tube voltage is adjusted several times with the fixed lesser interval. Next, the fusion of grey consistency and logarithm demodulation are applied to obtain full and lower noise projection with a high dynamic range (HDR). In addition, for the noise suppression problem of the analytical method, EM-TV (expectation maximization-total Jvariation) iteration reconstruction is used. In the process of iteration, the reconstruction result obtained at one x-ray energy is used as the initial condition of the next iteration. An accompanying experiment demonstrates that this EM-TV reconstruction can also extend the dynamic range of x-ray imaging systems and provide a higher reconstruction quality relative to the fusion reconstruction method.

An integrate-over-temperature approach for enhanced sampling.

PubMed

Gao, Yi Qin

2008-02-14

A simple method is introduced to achieve efficient random walking in the energy space in molecular dynamics simulations which thus enhances the sampling over a large energy range. The approach is closely related to multicanonical and replica exchange simulation methods in that it allows configurations of the system to be sampled in a wide energy range by making use of Boltzmann distribution functions at multiple temperatures. A biased potential is quickly generated using this method and is then used in accelerated molecular dynamics simulations.

Proceedings of the NASTRAN (Tradename) Users’ Colloquium (17th) Held in San Antonio, Texas on 24-28 April 1989

DTIC Science & Technology

1989-03-01

statistical energy analysis , the finite clement method, and the power flow method. Experimental solutions are the most common in the literature. The authors of...to the added weights and inertias of the transducers attached to an experimental structure. Statistical energy analysis (SEA) is a computational method...Analysis and Diagnosis," Journal of Sound and Vibration, Vol. 115, No. 3, pp. 405-422 (1987). 8. Lyon, R.L., Statistical Energy Analysis of Dynamical Systems

The Shock and Vibration Digest. Volume 16, Number 3

DTIC Science & Technology

1984-03-01

Fluid-induced Statistical Energy Analysis Method excitation, Wind tunnel testing V.R. Miller and L.L. Faulkner Flight Dynamics Lab., Air Force...84475 wall by the statistical energy analysis (SEA) method. The fuselage structure is represented as a series of curved, iso- Probabilistic Fracture...heavy are demonstrated in three-dimensional form. floor, a statistical energy analysis (SEA) model is presented. Only structural systems (i.e., no

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

Bleiziffer, Patrick, E-mail: patrick.bleiziffer@fau.de; Krug, Marcel; Görling, Andreas

A self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation (ACFD) theorem, employing the frequency-dependent exact exchange kernel f{sub x} is presented. The resulting SC-exact-exchange-only (EXX)-ACFD method leads to even more accurate correlation potentials than those obtained within the direct random phase approximation (dRPA). In contrast to dRPA methods, not only the Coulomb kernel but also the exact exchange kernel f{sub x} is taken into account in the EXX-ACFD correlation which results in a method that, unlike dRPA methods, is free of self-correlations, i.e., a method that treats exactly all one-electron systems, like, e.g., the hydrogen atom. The self-consistent evaluation ofmore » EXX-ACFD total energies improves the accuracy compared to EXX-ACFD total energies evaluated non-self-consistently with EXX or dRPA orbitals and eigenvalues. Reaction energies of a set of small molecules, for which highly accurate experimental reference data are available, are calculated and compared to quantum chemistry methods like Møller-Plesset perturbation theory of second order (MP2) or coupled cluster methods [CCSD, coupled cluster singles, doubles, and perturbative triples (CCSD(T))]. Moreover, we compare our methods to other ACFD variants like dRPA combined with perturbative corrections such as the second order screened exchange corrections or a renormalized singles correction. Similarly, the performance of our EXX-ACFD methods is investigated for the non-covalently bonded dimers of the S22 reference set and for potential energy curves of noble gas, water, and benzene dimers. The computational effort of the SC-EXX-ACFD method exhibits the same scaling of N{sup 5} with respect to the system size N as the non-self-consistent evaluation of only the EXX-ACFD correlation energy; however, the prefactor increases significantly. Reaction energies from the SC-EXX-ACFD method deviate quite little from EXX-ACFD energies obtained non-self-consistently with dRPA orbitals and eigenvalues, and the deviation reduces even further if the Coulomb kernel is scaled by a factor of 0.75 in the dRPA to reduce self-correlations in the dRPA correlation potential. For larger systems, such a non-self-consistent EXX-ACFD method is a competitive alternative to high-level wave-function-based methods, yielding higher accuracy than MP2 and CCSD methods while exhibiting a better scaling of the computational effort than CCSD or CCSD(T) methods. Moreover, EXX-ACFD methods were shown to be applicable in situation characterized by static correlation.« less

Comparison of Solar and Wind Power Output and Correlation with Real-Time Pricing

NASA Astrophysics Data System (ADS)

Hoepfl, Kathryn E.; Compaan, Alvin D.; Solocha, Andrew

2011-03-01

This study presents a method that can be used to determine the least volatile power output of a wind and solar hybrid energy system in which wind and solar systems have the same peak power. Hourly data for wind and PV systems in Northwest Ohio are used to show that a combination of both types of sustainable energy sources produces a more stable power output and would be more valuable to the grid than either individually. This method could be used to determine the ideal ratio in any part of the country and should help convince electric utility companies to bring more renewable generation online. This study also looks at real-time market pricing and how each system (solar, wind, and hybrid) correlates with 2009 hourly pricing from the Midwest Interconnect. KEH acknowledges support from the NSF-REU grant PHY-1004649 to the Univ. of Toledo and Garland Energy Systems/Ohio Department of Development.

High-Capacity Hydrogen-Based Green-Energy Storage Solutions For The Grid Balancing

NASA Astrophysics Data System (ADS)

D'Errico, F.; Screnci, A.

One of the current main challenges in green-power storage and smart grids is the lack of effective solutions for accommodating the unbalance between renewable energy sources, that offer intermittent electricity supply, and a variable electricity demand. Energy management systems have to be foreseen for the near future, while they still represent a major challenge. Integrating intermittent renewable energy sources, by safe and cost-effective energy storage systems based on solid state hydrogen is today achievable thanks to recently some technology breakthroughs. Optimized solid storage method made of magnesium-based hydrides guarantees a very rapid absorption and desorption kinetics. Coupled with electrolyzer technology, high-capacity storage of green-hydrogen is therefore practicable. Besides these aspects, magnesium has been emerging as environmentally friend energy storage method to sustain integration, monitoring and control of large quantity of GWh from high capacity renewable generation in the EU.

High-Capacity Hydrogen-Based Green-Energy Storage Solutions for the Grid Balancing

NASA Astrophysics Data System (ADS)

D'Errico, F.; Screnci, A.

One of the current main challenges in green-power storage and smart grids is the lack of effective solutions for accommodating the unbalance between renewable energy sources, that offer intermittent electricity supply, and a variable electricity demand. Energy management systems have to be foreseen for the near future, while they still represent a major challenge. Integrating intermittent renewable energy sources, by safe and cost-effective energy storage systems based on solid state hydrogen is today achievable thanks to recently some technology breakthroughs. Optimized solid storage method made of magnesium-based hydrides guarantees a very rapid absorption and desorption kinetics. Coupled with electrolyzer technology, high-capacity storage of green-hydrogen is therefore practicable. Besides these aspects, magnesium has been emerging as environmentally friend energy storage method to sustain integration, monitoring and control of large quantity of GWh from high capacity renewable generation in the EU.

Method and system for improved resolution of a compensated calorimeter detector

DOEpatents

Dawson, John W.

1991-01-01

An improved method and system for a depleted uranium calorimeter detector used in high energy physics experiments. In a depleted uranium calorimeter detector, the energy of a particle entering the calorimeter detector is determined and the output response of the calorimeter detector is compensated so that the ratio of the integrated response of the calorimeter detector from a lepton to the integrated response of the calorimeter detector from a hadron of the same energy as the lepton is approximately equal to 1. In the present invention, the energy of a particle entering the calorimeter detector is determined as a function of time and the hadron content of the response of the calorimeter detector is inferred based upon the time structure of the energy pulse measured by the calorimeter detector. The energy measurement can be corrected based on the inference of the hadron content whereby the resolution of the calorimeter can be improved.

Mitigating Short-Term Variations of Photovoltaic Generation Using Energy Storage with VOLTTRON

NASA Astrophysics Data System (ADS)

Morrissey, Kevin

A smart-building communications system performs smoothing on photovoltaic (PV) power generation using a battery energy storage system (BESS). The system runs using VOLTTRON(TM), a multi-agent python-based software platform dedicated to power systems. The VOLTTRON(TM) system designed for this project runs synergistically with the larger University of Washington VOLTTRON(TM) environment, which is designed to operate UW device communications and databases as well as to perform real-time operations for research. One such research algorithm that operates simultaneously with this PV Smoothing System is an energy cost optimization system which optimizes net demand and associated cost throughout a day using the BESS. The PV Smoothing System features an active low-pass filter with an adaptable time constant, as well as adjustable limitations on the output power and accumulated battery energy of the BESS contribution. The system was analyzed using 26 days of PV generation at 1-second resolution. PV smoothing was studied with unconstrained BESS contribution as well as under a broad range of BESS constraints analogous to variable-sized storage. It was determined that a large inverter output power was more important for PV smoothing than a large battery energy capacity. Two methods of selecting the time constant in real time, static and adaptive, are studied for their impact on system performance. It was found that both systems provide a high level of PV smoothing performance, within 8% of the ideal case where the best time constant is known ahead of time. The system was run in real time using VOLTTRON(TM) with BESS limitations of 5 kW/6.5 kWh and an adaptive update period of 7 days. The system behaved as expected given the BESS parameters and time constant selection methods, providing smoothing on the PV generation and updating the time constant periodically using the adaptive time constant selection method.

A mathematical method for verifying the validity of measured information about the flows of energy resources based on the state estimation theory

NASA Astrophysics Data System (ADS)

Pazderin, A. V.; Sof'in, V. V.; Samoylenko, V. O.

2015-11-01

Efforts aimed at improving energy efficiency in all branches of the fuel and energy complex shall be commenced with setting up a high-tech automated system for monitoring and accounting energy resources. Malfunctions and failures in the measurement and information parts of this system may distort commercial measurements of energy resources and lead to financial risks for power supplying organizations. In addition, measurement errors may be connected with intentional distortion of measurements for reducing payment for using energy resources on the consumer's side, which leads to commercial loss of energy resource. The article presents a universal mathematical method for verifying the validity of measurement information in networks for transporting energy resources, such as electricity and heat, petroleum, gas, etc., based on the state estimation theory. The energy resource transportation network is represented by a graph the nodes of which correspond to producers and consumers, and its branches stand for transportation mains (power lines, pipelines, and heat network elements). The main idea of state estimation is connected with obtaining the calculated analogs of energy resources for all available measurements. Unlike "raw" measurements, which contain inaccuracies, the calculated flows of energy resources, called estimates, will fully satisfy the suitability condition for all state equations describing the energy resource transportation network. The state equations written in terms of calculated estimates will be already free from residuals. The difference between a measurement and its calculated analog (estimate) is called in the estimation theory an estimation remainder. The obtained large values of estimation remainders are an indicator of high errors of particular energy resource measurements. By using the presented method it is possible to improve the validity of energy resource measurements, to estimate the transportation network observability, to eliminate the energy resource flows measurement imbalances, and to filter invalid measurements at the data acquisition and processing stage in performing monitoring of an automated energy resource monitoring and accounting system.

Thermal energy storage apparatus, controllers and thermal energy storage control methods

DOEpatents

Hammerstrom, Donald J.

2016-05-03

Thermal energy storage apparatus, controllers and thermal energy storage control methods are described. According to one aspect, a thermal energy storage apparatus controller includes processing circuitry configured to access first information which is indicative of surpluses and deficiencies of electrical energy upon an electrical power system at a plurality of moments in time, access second information which is indicative of temperature of a thermal energy storage medium at a plurality of moments in time, and use the first and second information to control an amount of electrical energy which is utilized by a heating element to heat the thermal energy storage medium at a plurality of moments in time.

Noise reduction in spectral CT: reducing dose and breaking the trade-off between image noise and energy bin selection.

PubMed

Leng, Shuai; Yu, Lifeng; Wang, Jia; Fletcher, Joel G; Mistretta, Charles A; McCollough, Cynthia H

2011-09-01

Our purpose was to reduce image noise in spectral CT by exploiting data redundancies in the energy domain to allow flexible selection of the number, width, and location of the energy bins. Using a variety of spectral CT imaging methods, conventional filtered backprojection (FBP) reconstructions were performed and resulting images were compared to those processed using a Local HighlY constrained backPRojection Reconstruction (HYPR-LR) algorithm. The mean and standard deviation of CT numbers were measured within regions of interest (ROIs), and results were compared between FBP and HYPR-LR. For these comparisons, the following spectral CT imaging methods were used:(i) numerical simulations based on a photon-counting, detector-based CT system, (ii) a photon-counting, detector-based micro CT system using rubidium and potassium chloride solutions, (iii) a commercial CT system equipped with integrating detectors utilizing tube potentials of 80, 100, 120, and 140 kV, and (iv) a clinical dual-energy CT examination. The effects of tube energy and energy bin width were evaluated appropriate to each CT system. The mean CT number in each ROI was unchanged between FBP and HYPR-LR images for each of the spectral CT imaging scenarios, irrespective of bin width or tube potential. However, image noise, as represented by the standard deviation of CT numbers in each ROI, was reduced by 36%-76%. In all scenarios, image noise after HYPR-LR algorithm was similar to that of composite images, which used all available photons. No difference in spatial resolution was observed between HYPR-LR processing and FBP. Dual energy patient data processed using HYPR-LR demonstrated reduced noise in the individual, low- and high-energy images, as well as in the material-specific basis images. Noise reduction can be accomplished for spectral CT by exploiting data redundancies in the energy domain. HYPR-LR is a robust method for reducing image noise in a variety of spectral CT imaging systems without losing spatial resolution or CT number accuracy. This method improves the flexibility to select energy bins in the manner that optimizes material identification and separation without paying the penalty of increased image noise or its corollary, increased patient dose.

Exergy analysis on industrial boiler energy conservation and emission evaluation applications

NASA Astrophysics Data System (ADS)

Li, Henan

2017-06-01

Industrial boiler is one of the most energy-consuming equipments in china, the annual consumption of energy accounts for about one-third of the national energy consumption. Industrial boilers in service at present have several severe problems such as small capacity, low efficiency, high energy consumption and causing severe pollution on environment. In recent years, our country in the big scope, long time serious fog weather, with coal-fired industrial boilers is closely related to the regional characteristics of high strength and low emissions [1]. The energy-efficient and emission-reducing of industry boiler is of great significance to improve China’s energy usage efficiency and environmental protection. Difference in thermal equilibrium theory is widely used in boiler design, exergy analysis method is established on the basis of the first law and second law of thermodynamics, by studying the cycle of the effect of energy conversion and utilization, to analyze its influencing factors, to reveal the exergy loss of location, distribution and size, find out the weak links, and a method of mining system of the boiler energy saving potential. Exergy analysis method is used for layer combustion boiler efficiency and pollutant emission characteristics analysis and evaluation, and can more objectively and accurately the energy conserving potential of the mining system of the boiler, find out the weak link of energy consumption, and improve equipment performance to improve the industrial boiler environmental friendliness.

Quadratic String Method for Locating Instantons in Tunneling Splitting Calculations.

PubMed

Cvitaš, Marko T

2018-03-13

The ring-polymer instanton (RPI) method is an efficient technique for calculating approximate tunneling splittings in high-dimensional molecular systems. In the RPI method, tunneling splitting is evaluated from the properties of the minimum action path (MAP) connecting the symmetric wells, whereby the extensive sampling of the full potential energy surface of the exact quantum-dynamics methods is avoided. Nevertheless, the search for the MAP is usually the most time-consuming step in the standard numerical procedures. Recently, nudged elastic band (NEB) and string methods, originaly developed for locating minimum energy paths (MEPs), were adapted for the purpose of MAP finding with great efficiency gains [ J. Chem. Theory Comput. 2016 , 12 , 787 ]. In this work, we develop a new quadratic string method for locating instantons. The Euclidean action is minimized by propagating the initial guess (a path connecting two wells) over the quadratic potential energy surface approximated by means of updated Hessians. This allows the algorithm to take many minimization steps between the potential/gradient calls with further reductions in the computational effort, exploiting the smoothness of potential energy surface. The approach is general, as it uses Cartesian coordinates, and widely applicable, with computational effort of finding the instanton usually lower than that of determining the MEP. It can be combined with expensive potential energy surfaces or on-the-fly electronic-structure methods to explore a wide variety of molecular systems.

Application of an energy balance method for estimating evapotranspiration in cropping systems

USDA-ARS?s Scientific Manuscript database

Accurate quantification of evapotranspiration (ET, consumptive water use) from planting through harvest is critical for managing the limited water resources for crop irrigation. Our objective was to develop and apply an improved land-crop surface residual energy balance (EB) method for quantifying E...

Calculating the free energy of transfer of small solutes into a model lipid membrane: Comparison between metadynamics and umbrella sampling

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

Bochicchio, Davide; Panizon, Emanuele; Ferrando, Riccardo

2015-10-14

We compare the performance of two well-established computational algorithms for the calculation of free-energy landscapes of biomolecular systems, umbrella sampling and metadynamics. We look at benchmark systems composed of polyethylene and polypropylene oligomers interacting with lipid (phosphatidylcholine) membranes, aiming at the calculation of the oligomer water-membrane free energy of transfer. We model our test systems at two different levels of description, united-atom and coarse-grained. We provide optimized parameters for the two methods at both resolutions. We devote special attention to the analysis of statistical errors in the two different methods and propose a general procedure for the error estimation inmore » metadynamics simulations. Metadynamics and umbrella sampling yield the same estimates for the water-membrane free energy profile, but metadynamics can be more efficient, providing lower statistical uncertainties within the same simulation time.« less

Energy return on investment (EROI) of solar PV: An attempt at reconciliation

DOE PAGES

Carbajales-Dale, Michael; Raugei, Marco; Fthenakis, Vasilis; ...

2015-07-01

This research examines the importance of energy return on investment (EROI) as a useful metric for assessing long-term viability of energy-dependent systems. Here, focuses on the methods, applications, and analyses for determining EROI for solar power and solar energy technologies.

Wind energy developments in the 20th century

NASA Technical Reports Server (NTRS)

Vargo, D. J.

1974-01-01

Wind turbine systems of the past are reviewed and wind energy is reexamined as a future source of power. Various phases and objectives of the Wind Energy Program are discussed. Conclusions indicate that wind generated energy must be considered economically competitive with other power production methods.

Food, Energy, and The Environment: Alternatives for Creating New Lifestyles.

ERIC Educational Resources Information Center

Sorrells, Nancy R.; Pimentel, David

1981-01-01

Provides background information on the interdependency of agriculture and ecological and social systems. Discusses in detail: (1) fossil energy and food production; (2) energy-intensive agriculture and environmental pollution; and (3) methods for developing alternatives. Includes recommendations to conserve fossil energy used in current food…

Density functional theory based study of molecular interactions, recognition, engineering, and quantum transport in π molecular systems.

PubMed

Cho, Yeonchoo; Cho, Woo Jong; Youn, Il Seung; Lee, Geunsik; Singh, N Jiten; Kim, Kwang S

2014-11-18

CONSPECTUS: In chemical and biological systems, various interactions that govern the chemical and physical properties of molecules, assembling phenomena, and electronic transport properties compete and control the microscopic structure of materials. The well-controlled manipulation of each component can allow researchers to design receptors or sensors, new molecular architectures, structures with novel morphology, and functional molecules or devices. In this Account, we describe the structures and electronic and spintronic properties of π-molecular systems that are important for controlling the architecture of a variety of carbon-based systems. Although DFT is an important tool for describing molecular interactions, the inability of DFT to accurately represent dispersion interactions has made it difficult to properly describe π-interactions. However, the recently developed dispersion corrections for DFT have allowed us to include these dispersion interactions cost-effectively. We have investigated noncovalent interactions of various π-systems including aromatic-π, aliphatic-π, and non-π systems based on dispersion-corrected DFT (DFT-D). In addition, we have addressed the validity of DFT-D compared with the complete basis set (CBS) limit values of coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)] and Møller-Plesset second order perturbation theory (MP2). The DFT-D methods are still unable to predict the correct ordering in binding energies within the benzene dimer and the cyclohexane dimer. Nevertheless, the overall DFT-D predicted binding energies are in reasonable agreement with the CCSD(T) results. In most cases, results using the B97-D3 method closely reproduce the CCSD(T) results with the optimized energy-fitting parameters. On the other hand, vdW-DF2 and PBE0-TS methods estimate the dispersion energies from the calculated electron density. In these approximations, the interaction energies around the equilibrium point are reasonably close to the CCSD(T) results but sometimes slightly deviate from them because interaction energies were not particularly optimized with parameters. Nevertheless, because the electron cloud deforms when neighboring atoms/ions induce an electric field, both vdW-DF2 and PBE0-TS seem to properly reproduce the resulting change of dispersion interaction. Thus, improvements are needed in both vdW-DF2 and PBE0-TS to better describe the interaction energies, while the B97-D3 method could benefit from the incorporation of polarization-driven energy changes that show highly anisotropic behavior. Although the current DFT-D methods need further improvement, DFT-D is very useful for computer-aided molecular design. We have used these newly developed DFT-D methods to calculate the interactions between graphene and DNA nucleobases. Using DFT-D, we describe the design of molecular receptors of π-systems, graphene based electronic devices, metalloporphyrin half-metal based spintronic devices as graphene nanoribbon (GNR) analogs, and graphene based molecular electronic devices for DNA sequencing. DFT-D has also helped us understand quantum phenomena in materials and devices of π-systems including graphene.

Mining Building Energy Management System Data Using Fuzzy Anomaly Detection and Linguistic Descriptions

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

Dumidu Wijayasekara; Ondrej Linda; Milos Manic

Building Energy Management Systems (BEMSs) are essential components of modern buildings that utilize digital control technologies to minimize energy consumption while maintaining high levels of occupant comfort. However, BEMSs can only achieve these energy savings when properly tuned and controlled. Since indoor environment is dependent on uncertain criteria such as weather, occupancy, and thermal state, performance of BEMS can be sub-optimal at times. Unfortunately, the complexity of BEMS control mechanism, the large amount of data available and inter-relations between the data can make identifying these sub-optimal behaviors difficult. This paper proposes a novel Fuzzy Anomaly Detection and Linguistic Description (Fuzzy-ADLD)more » based method for improving the understandability of BEMS behavior for improved state-awareness. The presented method is composed of two main parts: 1) detection of anomalous BEMS behavior and 2) linguistic representation of BEMS behavior. The first part utilizes modified nearest neighbor clustering algorithm and fuzzy logic rule extraction technique to build a model of normal BEMS behavior. The second part of the presented method computes the most relevant linguistic description of the identified anomalies. The presented Fuzzy-ADLD method was applied to real-world BEMS system and compared against a traditional alarm based BEMS. In six different scenarios, the Fuzzy-ADLD method identified anomalous behavior either as fast as or faster (an hour or more), that the alarm based BEMS. In addition, the Fuzzy-ADLD method identified cases that were missed by the alarm based system, demonstrating potential for increased state-awareness of abnormal building behavior.« less

Energy performance of areas for urban development (Arkhangelsk is given as example)

NASA Astrophysics Data System (ADS)

Popova, Olga; Glebova, Yulia

2017-01-01

The present research provides an overview and analysis of the legal framework and the technology to increase energy save and energy efficiency. The challenges of the mentioned activities implementation in urban areas are revealed in the paper. A comparison was made of the principal methods of increasing energy efficiency that is based on payback period. The basic shortcomings of the methods used are found. The way of capital reproducing assets acquisition is proposed with consideration of the rate of wear and tear and upgrading of urban residential development. The present research aims at characterizing energy sustainability of urban areas for forming the information basis that identifies capital construction projects together within the urban area. A new concept - area energy sustainability is introduced in the study to use system-structural approach to energy saving and energy efficiency. Energy sustainability of the area as an integral indicator of the static characteristics of the territory is considered as a complex involving the following terms: energy security, energy intensity and energy efficiency dynamic indicators of all the components of the power system of the area. Dimensions and parameters of energy sustainability of the area are determined. Arkhangelsk is given as example.

Simulations of Coulomb systems confined by polarizable surfaces using periodic Green functions.

PubMed

Dos Santos, Alexandre P; Girotto, Matheus; Levin, Yan

2017-11-14

We present an efficient approach for simulating Coulomb systems confined by planar polarizable surfaces. The method is based on the solution of the Poisson equation using periodic Green functions. It is shown that the electrostatic energy arising from the surface polarization can be decoupled from the energy due to the direct Coulomb interaction between the ions. This allows us to combine an efficient Ewald summation method, or any other fast method for summing over the replicas, with the polarization contribution calculated using Green function techniques. We apply the method to calculate density profiles of ions confined between the charged dielectric and metal surfaces.

HTS flywheel energy storage system with rotor shaft stabilized by feed-back control of armature currents of motor-generator

NASA Astrophysics Data System (ADS)

Tsukamoto, O.; Utsunomiya, A.

2007-10-01

We propose an HTS bulk bearing flywheel energy system (FWES) with rotor shaft stabilization system using feed-back control of the armature currents of the motor-generator. In the proposed system the rotor shift has a pivot bearing at one end of the shaft and an HTS bulk bearing (SMB) at the other end. The fluctuation of the rotor shaft with SMB is damped by feed-back control of the armature currents of the motor-generator sensing the position of the rotor shaft. The method has merits that the fluctuations are damped without active control magnet bearings and extra devices which may deteriorate the energy storage efficiency and need additional costs. The principle of the method was demonstrated by an experiment using a model permanent magnet motor.

Method and apparatus for eliminating coherent noise in a coherent energy imaging system without destroying spatial coherence

NASA Technical Reports Server (NTRS)

Shulman, A. R. (Inventor)

1971-01-01

A method and apparatus for substantially eliminating noise in a coherent energy imaging system, and specifically in a light imaging system of the type having a coherent light source and at least one image lens disposed between an input signal plane and an output image plane are, discussed. The input signal plane is illuminated with the light source by rotating the lens about its optical axis. In this manner, the energy density of coherent noise diffraction patterns as produced by imperfections such as dust and/or bubbles on and/or in the lens is distributed over a ring-shaped area of the output image plane and reduced to a point wherein it can be ignored. The spatial filtering capability of the coherent imaging system is not affected by this noise elimination technique.

Immediate estimation of correlation energy for molecular systems from the partial charges on atoms in the molecule

NASA Astrophysics Data System (ADS)

Kristyán, Sándor

1997-11-01

In the author's previous work (Chem. Phys. Lett. 247 (1995) 101 and Chem. Phys. Lett. 256 (1996) 229) a simple quasi-linear relationship was introduced between the number of electrons, N, participating in any molecular system and the correlation energy: -0.035 ( N - 1) > Ecorr[hartree] > - 0.045( N -1). This relationship was developed to estimate more accurately correlation energy immediately in ab initio calculations by using the partial charges of atoms in the molecule, easily obtained after Hartree-Fock self-consistent field (HF-SCF) calculations. The method is compared to the well-known B3LYP, MP2, CCSD and G2M methods. Correlation energy estimations for negatively (-1) charged atomic ions are also reported.

Stability of Poisson Equilibria and Hamiltonian Relative Equilibria by Energy Methods

NASA Astrophysics Data System (ADS)

Patrick, George W.; Roberts, Mark; Wulff, Claudia

2004-12-01

We develop a general stability theory for equilibrium points of Poisson dynamical systems and relative equilibria of Hamiltonian systems with symmetries, including several generalisations of the Energy-Casimir and Energy-Momentum Methods. Using a topological generalisation of Lyapunov’s result that an extremal critical point of a conserved quantity is stable, we show that a Poisson equilibrium is stable if it is an isolated point in the intersection of a level set of a conserved function with a subset of the phase space that is related to the topology of the symplectic leaf space at that point. This criterion is applied to generalise the energy-momentum method to Hamiltonian systems which are invariant under non-compact symmetry groups for which the coadjoint orbit space is not Hausdorff. We also show that a G-stable relative equilibrium satisfies the stronger condition of being A-stable, where A is a specific group-theoretically defined subset of G which contains the momentum isotropy subgroup of the relative equilibrium. The results are illustrated by an application to the stability of a rigid body in an ideal irrotational fluid.

Damage identification via asymmetric active magnetic bearing acceleration feedback control

NASA Astrophysics Data System (ADS)

Zhao, Jie; DeSmidt, Hans; Yao, Wei

2015-04-01

A Floquet-based damage detection methodology for cracked rotor systems is developed and demonstrated on a shaft-disk system. This approach utilizes measured changes in the system natural frequencies to estimate the severity and location of shaft structural cracks during operation. The damage detection algorithms are developed with the initial guess solved by least square method and iterative damage parameter vector by updating the eigenvector updating. Active Magnetic Bearing is introduced to break the symmetric structure of rotor system and the tuning range of proper stiffness/virtual mass gains is studied. The system model is built based on energy method and the equations of motion are derived by applying assumed modes method and Lagrange Principle. In addition, the crack model is based on the Strain Energy Release Rate (SERR) concept in fracture mechanics. Finally, the method is synthesized via harmonic balance and numerical examples for a shaft/disk system demonstrate the effectiveness in detecting both location and severity of the structural damage.

Real time hardware implementation of power converters for grid integration of distributed generation and STATCOM systems

NASA Astrophysics Data System (ADS)

Jaithwa, Ishan

Deployment of smart grid technologies is accelerating. Smart grid enables bidirectional flows of energy and energy-related communications. The future electricity grid will look very different from today's power system. Large variable renewable energy sources will provide a greater portion of electricity, small DERs and energy storage systems will become more common, and utilities will operate many different kinds of energy efficiency. All of these changes will add complexity to the grid and require operators to be able to respond to fast dynamic changes to maintain system stability and security. This thesis investigates advanced control technology for grid integration of renewable energy sources and STATCOM systems by verifying them on real time hardware experiments using two different systems: d SPACE and OPAL RT. Three controls: conventional, direct vector control and the intelligent Neural network control were first simulated using Matlab to check the stability and safety of the system and were then implemented on real time hardware using the d SPACE and OPAL RT systems. The thesis then shows how dynamic-programming (DP) methods employed to train the neural networks are better than any other controllers where, an optimal control strategy is developed to ensure effective power delivery and to improve system stability. Through real time hardware implementation it is proved that the neural vector control approach produces the fastest response time, low overshoot, and, the best performance compared to the conventional standard vector control method and DCC vector control technique. Finally the entrepreneurial approach taken to drive the technologies from the lab to market via ORANGE ELECTRIC is discussed in brief.

Methods of forming thermal management systems and thermal management methods

DOEpatents

Gering, Kevin L.; Haefner, Daryl R.

2012-06-05

A thermal management system for a vehicle includes a heat exchanger having a thermal energy storage material provided therein, a first coolant loop thermally coupled to an electrochemical storage device located within the first coolant loop and to the heat exchanger, and a second coolant loop thermally coupled to the heat exchanger. The first and second coolant loops are configured to carry distinct thermal energy transfer media. The thermal management system also includes an interface configured to facilitate transfer of heat generated by an internal combustion engine to the heat exchanger via the second coolant loop in order to selectively deliver the heat to the electrochemical storage device. Thermal management methods are also provided.

Method for thermal swing adsorption and thermally-enhanced pressure swing adsorption

DOEpatents

Wegeng, Robert S.; Rassat, Scot D.; Stenkamp, Victoria S.; TeGrotenhuis, Ward E.; Matson, Dean W.; Drost, M. Kevin; Viswanathan, Vilayanur V.

2003-10-07

The present invention provides compact adsorption systems that are capable of rapid temperature swings and rapid cycling. Novel methods of thermal swing adsorption and thermally-enhanced pressure swing adsorption are also described. In some aspects of the invention, a gas is passed through the adsorbent thus allowing heat exchangers to be very close to all portions of the adsorbent and utilize less space. In another aspect, the adsorption media is selectively heated, thus reducing energy costs. Methods and systems for gas adsorption/desorption having improved energy efficiency with capability of short cycle times are also described. Advantages of the invention include the ability to use (typically) 30-100 times less adsorbent compared to conventional systems.

RF beam center location method and apparatus for power transmission system

NASA Technical Reports Server (NTRS)

Dickinson, R. M. (Inventor)

1978-01-01

The receiving element in wireless power transmission systems intercepts the greatest possible portion of the transmitted energy beam. Summing the output energy of all receivers in a planar array makes it possible to determine the location of the center of energy of the incident beam on a receiving array of antenna elements so that the incident beam is in the microwave region.

A hydrogen energy carrier. Volume 2: Systems analysis

NASA Technical Reports Server (NTRS)

Savage, R. L. (Editor); Blank, L. (Editor); Cady, T. (Editor); Cox, K. (Editor); Murray, R. (Editor); Williams, R. D. (Editor)

1973-01-01

A systems analysis of hydrogen as an energy carrier in the United States indicated that it is feasible to use hydrogen in all energy use areas, except some types of transportation. These use areas are industrial, residential and commercial, and electric power generation. Saturation concept and conservation concept forecasts of future total energy demands were made. Projected costs of producing hydrogen from coal or from nuclear heat combined with thermochemical decomposition of water are in the range $1.00 to $1.50 per million Btu of hydrogen produced. Other methods are estimated to be more costly. The use of hydrogen as a fuel will require the development of large-scale transmission and storage systems. A pipeline system similar to the existing natural gas pipeline system appears practical, if design factors are included to avoid hydrogen environment embrittlement of pipeline metals. Conclusions from the examination of the safety, legal, environmental, economic, political and societal aspects of hydrogen fuel are that a hydrogen energy carrier system would be compatible with American values and the existing energy system.

Matching of renewable source of energy generation graphs and electrical load in local energy system

NASA Astrophysics Data System (ADS)

Lezhniuk, Petro; Komar, Vyacheslav; Sobchuk, Dmytro; Kravchuk, Sergiy; Kacejko, Piotr; Zavidsky, Vladislav

2017-08-01

The paper contains the method of matching generation graph of photovoltaic electric stations and consumers. Characteristic feature of this method is the application of morphometric analysis for assessment of non-uniformity of the integrated graph of energy supply, optimal coefficients of current distribution, that enables by mean of refining the powers, transferring in accordance with the graph , to provide the decrease of electric energy losses in the grid and transport task, as the optimization tool.

Multienergy CT acquisition and reconstruction with a stepped tube potential scan

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

Shen, Le; Xing, Yuxiang, E-mail: xingyx@mail.tsinghua.edu.cn

Purpose: Based on an energy-dependent property of matter, one may obtain a pseudomonochromatic attenuation map, a material composition image, an electron-density distribution, and an atomic number image using a dual- or multienergy computed tomography (CT) scan. Dual- and multienergy CT scans broaden the potential of x-ray CT imaging. The development of such systems is very useful in both medical and industrial investigations. In this paper, the authors propose a new dual- and multienergy CT system design (segmental multienergy CT, SegMECT) using an innovative scanning scheme that is conveniently implemented on a conventional single-energy CT system. The two-step-energy dual-energy CT canmore » be regarded as a special case of SegMECT. A special reconstruction method is proposed to support SegMECT. Methods: In their SegMECT, a circular trajectory in a CT scan is angularly divided into several arcs. The x-ray source is set to a different tube voltage for each arc of the trajectory. Thus, the authors only need to make a few step changes to the x-ray energy during the scan to complete a multienergy data acquisition. With such a data set, the image reconstruction might suffer from severe limited-angle artifacts if using conventional reconstruction methods. To solve the problem, they present a new prior-image-based reconstruction technique using a total variance norm of a quotient image constraint. On the one hand, the prior extracts structural information from all of the projection data. On the other hand, the effect from a possibly imprecise intensity level of the prior can be mitigated by minimizing the total variance of a quotient image. Results: The authors present a new scheme for a SegMECT configuration and establish a reconstruction method for such a system. Both numerical simulation and a practical phantom experiment are conducted to validate the proposed reconstruction method and the effectiveness of the system design. The results demonstrate that the proposed SegMECT can provide both attenuation images and material decomposition images of reasonable image quality. Compared to existing methods, the new system configuration demonstrates advantages in simplicity of implementation, system cost, and dose control. Conclusions: This proposed SegMECT imaging approach has great potential for practical applications. It can be readily realized on a conventional CT system.« less

Path Integral Computation of Quantum Free Energy Differences Due to Alchemical Transformations Involving Mass and Potential.

PubMed

Pérez, Alejandro; von Lilienfeld, O Anatole

2011-08-09

Thermodynamic integration, perturbation theory, and λ-dynamics methods were applied to path integral molecular dynamics calculations to investigate free energy differences due to "alchemical" transformations. Several estimators were formulated to compute free energy differences in solvable model systems undergoing changes in mass and/or potential. Linear and nonlinear alchemical interpolations were used for the thermodynamic integration. We find improved convergence for the virial estimators, as well as for the thermodynamic integration over nonlinear interpolation paths. Numerical results for the perturbative treatment of changes in mass and electric field strength in model systems are presented. We used thermodynamic integration in ab initio path integral molecular dynamics to compute the quantum free energy difference of the isotope transformation in the Zundel cation. The performance of different free energy methods is discussed.

A system approach for reducing the environmental impact of manufacturing and sustainability improvement of nano-scale manufacturing

NASA Astrophysics Data System (ADS)

Yuan, Yingchun

This dissertation develops an effective and economical system approach to reduce the environmental impact of manufacturing. The system approach is developed by using a process-based holistic method for upstream analysis and source reduction of the environmental impact of manufacturing. The system approach developed consists of three components of a manufacturing system: technology, energy and material, and is useful for sustainable manufacturing as it establishes a clear link between manufacturing system components and its overall sustainability performance, and provides a framework for environmental impact reductions. In this dissertation, the system approach developed is applied for environmental impact reduction of a semiconductor nano-scale manufacturing system, with three case scenarios analyzed in depth on manufacturing process improvement, clean energy supply, and toxic chemical material selection. The analysis on manufacturing process improvement is conducted on Atomic Layer Deposition of Al2O3 dielectric gate on semiconductor microelectronics devices. Sustainability performance and scale-up impact of the ALD technology in terms of environmental emissions, energy consumption, nano-waste generation and manufacturing productivity are systematically investigated and the ways to improve the sustainability of the ALD technology are successfully developed. The clean energy supply is studied using solar photovoltaic, wind, and fuel cells systems for electricity generation. Environmental savings from each clean energy supply over grid power are quantitatively analyzed, and costs for greenhouse gas reductions on each clean energy supply are comparatively studied. For toxic chemical material selection, an innovative schematic method is developed as a visual decision tool for characterizing and benchmarking the human health impact of toxic chemicals, with a case study conducted on six chemicals commonly used as solvents in semiconductor manufacturing. Reliability of the schematic method is validated by comparing its benchmark results on 104 chemicals with that from the conventional Human Toxicity Potential (HTP) method. This dissertation concludes with discussions on environmental impact assessment of nanotechnologies and sustainability management of nano-particles. As nano-manufacturing is emerging for wide industrial applications, improvement and expansion of the system approach would be valuable for use in the environmental management of nano-manufacturing and in the risk control of nano-particles in the interests of public health and the environment.

Examining ion channel properties using free-energy methods.

PubMed

Domene, Carmen; Furini, Simone

2009-01-01

Recent advances in structural biology have revealed the architecture of a number of transmembrane channels, allowing for these complex biological systems to be understood in atomistic detail. Computational simulations are a powerful tool by which the dynamic and energetic properties, and thereby the function of these protein architectures, can be investigated. The experimentally observable properties of a system are often determined more by energetic than dynamics, and therefore understanding the underlying free energy (FE) of biophysical processes is of crucial importance. Critical to the accurate evaluation of FE values are the problems of obtaining accurate sampling of complex biological energy landscapes, and of obtaining accurate representations of the potential energy of a system, this latter problem having been addressed through the development of molecular force fields. While these challenges are common to all FE methods, depending on the system under study, and the questions being asked of it, one technique for FE calculation may be preferable to another, the choice of method and simulation protocol being crucial to achieve efficiency. Applied in a correct manner, FE calculations represent a predictive and affordable computational tool with which to make relevant contact with experiments. This chapter, therefore, aims to give an overview of the most widely implemented computational methods used to calculate the FE associated with particular biochemical or biophysical events, and to highlight their recent applications to ion channels. Copyright © 2009 Elsevier Inc. All rights reserved.

Optimizing the Energy and Throughput of a Water-Quality Monitoring System.

PubMed

Olatinwo, Segun O; Joubert, Trudi-H

2018-04-13

This work presents a new approach to the maximization of energy and throughput in a wireless sensor network (WSN), with the intention of applying the approach to water-quality monitoring. Water-quality monitoring using WSN technology has become an interesting research area. Energy scarcity is a critical issue that plagues the widespread deployment of WSN systems. Different power supplies, harvesting energy from sustainable sources, have been explored. However, when energy-efficient models are not put in place, energy harvesting based WSN systems may experience an unstable energy supply, resulting in an interruption in communication, and low system throughput. To alleviate these problems, this paper presents the joint maximization of the energy harvested by sensor nodes and their information-transmission rate using a sum-throughput technique. A wireless information and power transfer (WIPT) method is considered by harvesting energy from dedicated radio frequency sources. Due to the doubly near-far condition that confronts WIPT systems, a new WIPT system is proposed to improve the fairness of resource utilization in the network. Numerical simulation results are presented to validate the mathematical formulations for the optimization problem, which maximize the energy harvested and the overall throughput rate. Defining the performance metrics of achievable throughput and fairness in resource sharing, the proposed WIPT system outperforms an existing state-of-the-art WIPT system, with the comparison based on numerical simulations of both systems. The improved energy efficiency of the proposed WIPT system contributes to addressing the problem of energy scarcity.

Optimizing the Energy and Throughput of a Water-Quality Monitoring System

PubMed Central

Olatinwo, Segun O.

2018-01-01

This work presents a new approach to the maximization of energy and throughput in a wireless sensor network (WSN), with the intention of applying the approach to water-quality monitoring. Water-quality monitoring using WSN technology has become an interesting research area. Energy scarcity is a critical issue that plagues the widespread deployment of WSN systems. Different power supplies, harvesting energy from sustainable sources, have been explored. However, when energy-efficient models are not put in place, energy harvesting based WSN systems may experience an unstable energy supply, resulting in an interruption in communication, and low system throughput. To alleviate these problems, this paper presents the joint maximization of the energy harvested by sensor nodes and their information-transmission rate using a sum-throughput technique. A wireless information and power transfer (WIPT) method is considered by harvesting energy from dedicated radio frequency sources. Due to the doubly near–far condition that confronts WIPT systems, a new WIPT system is proposed to improve the fairness of resource utilization in the network. Numerical simulation results are presented to validate the mathematical formulations for the optimization problem, which maximize the energy harvested and the overall throughput rate. Defining the performance metrics of achievable throughput and fairness in resource sharing, the proposed WIPT system outperforms an existing state-of-the-art WIPT system, with the comparison based on numerical simulations of both systems. The improved energy efficiency of the proposed WIPT system contributes to addressing the problem of energy scarcity. PMID:29652866

A theoretical approach for estimation of ultimate size of bimetallic nanocomposites synthesized in microemulsion systems

NASA Astrophysics Data System (ADS)

Salabat, Alireza; Saydi, Hassan

2012-12-01

In this research a new idea for prediction of ultimate sizes of bimetallic nanocomposites synthesized in water-in-oil microemulsion system is proposed. In this method, by modifying Tabor Winterton approximation equation, an effective Hamaker constant was introduced. This effective Hamaker constant was applied in the van der Waals attractive interaction energy. The obtained effective van der Waals interaction energy was used as attractive contribution in the total interaction energy. The modified interaction energy was applied successfully to predict some bimetallic nanoparticles, at different mass fraction, synthesized in microemulsion system of dioctyl sodium sulfosuccinate (AOT)/isooctane.

A Survey of Probabilistic Methods for Dynamical Systems with Uncertain Parameters.

DTIC Science & Technology

1986-05-01

J., "An Approach to the Theoretical Background of Statistical Energy Analysis Applied to Structural Vibration," Journ. Acoust. Soc. Amer., Vol. 69...1973, Sect. 8.3. 80. Lyon, R.H., " Statistical Energy Analysis of Dynamical Systems," M.I.T. Press, 1975. e) Late References added in Proofreading !! 81...Dowell, E.H., and Kubota, Y., "Asymptotic Modal Analysis and ’~ y C-" -165- Statistical Energy Analysis of Dynamical Systems," Journ. Appi. - Mech

Commercial Building Energy Asset Score System: Program Overview and Technical Protocol (Version 1.0)

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

Wang, Na; Gorrissen, Willy J.

2013-01-11

The U.S. Department of Energy (DOE) is developing a national voluntary energy asset score system that includes an energy asset score tool to help building owners evaluate their buildings with respect to the score system. The goal of the energy asset score system is to facilitate cost-effective investment in energy efficiency improvements of commercial buildings. The system will allow building owners and managers to compare their building infrastructure against peers and track building upgrade progress over time. The system can also help other building stakeholders (e.g., building operators, tenants, financiers, and appraisers) understand the relative efficiency of different buildings inmore » a way that is independent from their operations and occupancy. This report outlines the technical protocol used to generate the energy asset score, explains the scoring methodology, and provides additional details regarding the energy asset score tool. This report also describes alternative methods that were considered prior to developing the current approach. Finally, this report describes a few features of the program where alternative approaches are still under evaluation.« less

A study of energy use for ventilation and air-conditioning systems in Hong Kong

NASA Astrophysics Data System (ADS)

Yu, Chung Hoi Philip

Most of the local modern buildings are high-rise with enclosed structure. Mechanical ventilation and air conditioning (MVAC) systems are installed for thermal comfort. Various types of MVAC systems found in Hong Kong were critically reviewed with comments on their characteristics in energy efficiency as well as application. The major design considerations were also discussed. Besides MVAC, other energy-consuming components in commercial buildings were also identified, such as lighting, lifts and escalators, office equipment, information technology facilities, etc. A practical approach has been adopted throughout this study in order that the end results will have pragmatic value to the heating, ventilating and air-conditioning (HVAC) industry in Hong Kong. Indoor Air Quality (IAQ) has become a major issue in commercial buildings worldwide including Hong Kong. Ventilation rate is no doubt a critical element in the design of HVAC systems, which can be realized more obviously in railway train compartments where the carbon dioxide level will be built up quickly when the compartments are crowded during rush hours. A study was carried out based on a simplified model using a train compartment that is equipped with an MVAC system. Overall Thermal Transfer Value (OTTV) is a single-value parameter for controlling building energy use and is relatively simple to implement legislatively. The local government has taken a first step in reacting to the worldwide concern of energy conservation and environmental protection since 1995. Different methods of OTTV calculation were studied and the computation results were compared. It gives a clear picture of the advantages and limitations for each method to the building designers. However, due to the limitations of using OTTV as the only parameter for building energy control, some new approaches to a total control of building energy use were discussed and they might be considered for future revision of the building energy codes in Hong Kong. A sample database of 20 existing commercial buildings was established for further analysis of building energy use. Heat gains through building envelopes were reviewed with reference to fundamental theory behind as well as the heat transfer equations presented in the literature. The prevailing methodologies of cooling load estimation and energy calculation were studied. Building energy auditing methods were discussed with reference to the local practice as well as international standards and guides. The common procedures of building energy auditing with three stages were outlined: historical data collection/analysis, preliminary site survey, and detailed energy consumption investigation. A typical commercial building was selected for detailed study of energy use by MVAC systems. (Abstract shortened by UMI.)

Adaptive real-time methodology for optimizing energy-efficient computing

DOEpatents

Hsu, Chung-Hsing [Los Alamos, NM; Feng, Wu-Chun [Blacksburg, VA

2011-06-28

Dynamic voltage and frequency scaling (DVFS) is an effective way to reduce energy and power consumption in microprocessor units. Current implementations of DVFS suffer from inaccurate modeling of power requirements and usage, and from inaccurate characterization of the relationships between the applicable variables. A system and method is proposed that adjusts CPU frequency and voltage based on run-time calculations of the workload processing time, as well as a calculation of performance sensitivity with respect to CPU frequency. The system and method are processor independent, and can be applied to either an entire system as a unit, or individually to each process running on a system.

Systems and methods for solar energy storage, transportation, and conversion utilizing photochemically active organometallic isomeric compounds and solid-state catalysts

DOEpatents

Vollhardt, K. Peter C.; Segalman, Rachel A; Majumdar, Arunava; Meier, Steven

2015-02-10

A system for converting solar energy to chemical energy, and, subsequently, to thermal energy includes a light-harvesting station, a storage station, and a thermal energy release station. The system may include additional stations for converting the released thermal energy to other energy forms, e.g., to electrical energy and mechanical work. At the light-harvesting station, a photochemically active first organometallic compound, e.g., a fulvalenyl diruthenium complex, is exposed to light and is photochemically converted to a second, higher-energy organometallic compound, which is then transported to a storage station. At the storage station, the high-energy organometallic compound is stored for a desired time and/or is transported to a desired location for thermal energy release. At the thermal energy release station, the high-energy organometallic compound is catalytically converted back to the photochemically active organometallic compound by an exothermic process, while the released thermal energy is captured for subsequent use.

Thermal chemical recuperation method and system for use with gas turbine systems

DOEpatents

Yang, W.C.; Newby, R.A.; Bannister, R.L.

1999-04-27

A system and method are disclosed for efficiently generating power using a gas turbine, a steam generating system and a reformer. The gas turbine receives a reformed fuel stream and an air stream and produces shaft power and exhaust. Some of the thermal energy from the turbine exhaust is received by the reformer. The turbine exhaust is then directed to the steam generator system that recovers thermal energy from it and also produces a steam flow from a water stream. The steam flow and a fuel stream are directed to the reformer that reforms the fuel stream and produces the reformed fuel stream used in the gas turbine. 2 figs.

Thermal chemical recuperation method and system for use with gas turbine systems

DOEpatents

Yang, Wen-Ching; Newby, Richard A.; Bannister, Ronald L.

1999-01-01

A system and method for efficiently generating power using a gas turbine, a steam generating system (20, 22, 78) and a reformer. The gas turbine receives a reformed fuel stream (74) and an air stream and produces shaft power and exhaust. Some of the thermal energy from the turbine exhaust is received by the reformer (18). The turbine exhaust is then directed to the steam generator system that recovers thermal energy from it and also produces a steam flow from a water stream. The steam flow and a fuel stream are directed to the reformer that reforms the fuel stream and produces the reformed fuel stream used in the gas turbine.

Economic and public policy implications of energy pricing in Costa Rica

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

Bourgoin, L.

The methods used in examining the role of pricing in energy policy development may apply to many oil-importing countries with foreign exchange constraints. Data are developed by economic sectors on output plus on real factor inputs and factor wages for capital (by a perpetual inventory method), labor and useful energy (adjusted for efficiencies). A constant elasticity of substitution production model using 1965-1982 aggregate energy and nonenergy inputs is used to demonstrate the energy-economy linkages in Costa Rica. Estimates are from the best linear unbiased estimator and from the nonlinear system (structural form) of simultaneous equations jointly estimated by GLS multivariatemore » methods. The elasticity of substitution is 0.98 using only energy source costs and about 0.87-0.89 using energy system costs. The macroeconomic impacts of energy taxation or subsidization in Costa Rica for the range of likely values of the elasticity of substitution suggest that a small energy tax would result in a net national economic gain. Eight energy policy proposals demand management interventions and supply-side enhancements) are formulated for Costa Rica and qualified for five broad criteria according to their likelihood of success. These are chosen since they are believed to promote socioeconomic efficiency, to be politically feasible, and to be administratively implementable; the anticipated degree of popular acceptance and the size of the impact vary.« less

Chapter 2: Commercial and Industrial Lighting 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; Gowans, Dakers; Telarico, Chad

The Commercial and Industrial Lighting Evaluation Protocol (the protocol) describes methods to account for gross energy savings resulting from the programmatic installation of efficient lighting equipment in large populations of commercial, industrial, and other nonresidential facilities. This protocol does not address savings resulting from changes in codes and standards, or from education and training activities. A separate Uniform Methods Project (UMP) protocol, Chapter 3: Commercial and Industrial Lighting Controls Evaluation Protocol, addresses methods for evaluating savings resulting from lighting control measures such as adding time clocks, tuning energy management system commands, and adding occupancy sensors.

Efficient operation scheduling for adsorption chillers using predictive optimization-based control methods

NASA Astrophysics Data System (ADS)

Bürger, Adrian; Sawant, Parantapa; Bohlayer, Markus; Altmann-Dieses, Angelika; Braun, Marco; Diehl, Moritz

2017-10-01

Within this work, the benefits of using predictive control methods for the operation of Adsorption Cooling Machines (ACMs) are shown on a simulation study. Since the internal control decisions of series-manufactured ACMs often cannot be influenced, the work focuses on optimized scheduling of an ACM considering its internal functioning as well as forecasts for load and driving energy occurrence. For illustration, an assumed solar thermal climate system is introduced and a system model suitable for use within gradient-based optimization methods is developed. The results of a system simulation using a conventional scheme for ACM scheduling are compared to the results of a predictive, optimization-based scheduling approach for the same exemplary scenario of load and driving energy occurrence. The benefits of the latter approach are shown and future actions for application of these methods for system control are addressed.

Acoustic microscope surface inspection system and method

DOEpatents

Khuri-Yakub, B.T.; Parent, P.; Reinholdtsen, P.A.

1991-02-26

An acoustic microscope surface inspection system and method are described in which pulses of high frequency electrical energy are applied to a transducer which forms and focuses acoustic energy onto a selected location on the surface of an object and receives energy from the location and generates electrical pulses. The phase of the high frequency electrical signal pulses are stepped with respect to the phase of a reference signal at said location. An output signal is generated which is indicative of the surface of said selected location. The object is scanned to provide output signals representative of the surface at a plurality of surface locations. 7 figures.

Algae façade as green building method: application of algae as a method to meet the green building regulation

NASA Astrophysics Data System (ADS)

Poerbo, Heru W.; Martokusumo, Widjaja; Donny Koerniawan, M.; Aulia Ardiani, Nissa; Krisanti, Susan

2017-12-01

The Local Government of Bandung city has stipulated a Green Building regulation through the Peraturan Walikota Number 1023/2016. Signed by the mayor in October 2016, Bandung became the first city in Indonesia that put green building as mandatory requirement in the building permit (IMB) process. Green Building regulation is intended to have more efficient consumption of energy and water, improved indoor air quality, management of liquid and solid waste etc. This objective is attained through various design method in building envelope, ventilation and air conditioning system, lighting, indoor transportation system, and electrical system. To minimize energy consumption of buildings that have large openings, sun shading device is often utilized together with low-E glass panes. For buildings in hot humid tropical climate, this method reduces indoor air temperature and thus requires less energy for air conditioning. Indoor air quality is often done by monitoring the carbon dioxide levels. Application of algae as part of building system façade has recently been introduced as replacement of large glass surface in the building façade. Algae are not yet included in the green building regulation because it is relatively new. The research will investigate, with the help of the modelling process and extensive literature, how effective is the implementation of algae in building façade to reduce energy consumption and improve its indoor air quality. This paper is written based on the design of ITB Innovation Park as an ongoing architectural design-based research how the algae-integrated building façade affects the energy consumption.

Multi-Reflex Propulsion Systems for Space and Air Vehicles and Energy Transfer for Long Distance

NASA Astrophysics Data System (ADS)

Bolonkin, A.

The purpose of this article is to call attention to the revolutionary idea of light multi-reflection. This idea allows the design of new engines, space and air propulsion systems, storage (of a beam and solar energy), transmitters of energy (to millions of kilometers), creation of new weapons, etc. This method and the main innovations were offered by the author in 1983 in the former USSR. Now the author shows in a series of articles the immense possibilities of this idea in many fields of engineering - astronautics, aviation, energy, optics, direct converter of light (laser beam) energy to mechanical energy (light engine), to name a few. This article considers the multi-reflex propulsion systems for space and air vehicles and energy transmitter for long distances in space.

Effects of dynamical paths on the energy gap and the corrections to the free energy in path integrals of mean-field quantum spin systems

NASA Astrophysics Data System (ADS)

Koh, Yang Wei

2018-03-01

In current studies of mean-field quantum spin systems, much attention is placed on the calculation of the ground-state energy and the excitation gap, especially the latter, which plays an important role in quantum annealing. In pure systems, the finite gap can be obtained by various existing methods such as the Holstein-Primakoff transform, while the tunneling splitting at first-order phase transitions has also been studied in detail using instantons in many previous works. In disordered systems, however, it remains challenging to compute the gap of large-size systems with specific realization of disorder. Hitherto, only quantum Monte Carlo techniques are practical for such studies. Recently, Knysh [Nature Comm. 7, 12370 (2016), 10.1038/ncomms12370] proposed a method where the exponentially large dimensionality of such systems is condensed onto a random potential of much lower dimension, enabling efficient study of such systems. Here we propose a slightly different approach, building upon the method of static approximation of the partition function widely used for analyzing mean-field models. Quantum effects giving rise to the excitation gap and nonextensive corrections to the free energy are accounted for by incorporating dynamical paths into the path integral. The time-dependence of the trace of the time-ordered exponential of the effective Hamiltonian is calculated by solving a differential equation perturbatively, yielding a finite-size series expansion of the path integral. Formulae for the first excited-state energy are proposed to aid in computing the gap. We illustrate our approach using the infinite-range ferromagnetic Ising model and the Hopfield model, both in the presence of a transverse field.

The Development of a Finite Volume Method for Modeling Sound in Coastal Ocean Environment

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

Long, Wen; Yang, Zhaoqing; Copping, Andrea E.

: As the rapid growth of marine renewable energy and off-shore wind energy, there have been concerns that the noises generated from construction and operation of the devices may interfere marine animals’ communication. In this research, a underwater sound model is developed to simulate sound prorogation generated by marine-hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite volume and finite difference methods are developed to solve the 3D Helmholtz equation of sound propagation in the coastal environment. For finite volume method, the grid system consists of triangular grids in horizontal plane and sigma-layers in vertical dimension. A 3Dmore » sparse matrix solver with complex coefficients is formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method is applied to efficiently solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model is then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities in a range-dependent setting, such as offshore wind energy platform constructions and tidal stream turbines. As a proof of concept, initial validation of the finite difference solver is presented for two coastal wedge problems. Validation of finite volume method will be reported separately.« less

Adaptive Granulation-Based Prediction for Energy System of Steel Industry.

PubMed

Wang, Tianyu; Han, Zhongyang; Zhao, Jun; Wang, Wei

2018-01-01

The flow variation tendency of byproduct gas plays a crucial role for energy scheduling in steel industry. An accurate prediction of its future trends will be significantly beneficial for the economic profits of steel enterprise. In this paper, a long-term prediction model for the energy system is proposed by providing an adaptive granulation-based method that considers the production semantics involved in the fluctuation tendency of the energy data, and partitions them into a series of information granules. To fully reflect the corresponding data characteristics of the formed unequal-length temporal granules, a 3-D feature space consisting of the timespan, the amplitude and the linetype is designed as linguistic descriptors. In particular, a collaborative-conditional fuzzy clustering method is proposed to granularize the tendency-based feature descriptors and specifically measure the amplitude variation of industrial data which plays a dominant role in the feature space. To quantify the performance of the proposed method, a series of real-world industrial data coming from the energy data center of a steel plant is employed to conduct the comparative experiments. The experimental results demonstrate that the proposed method successively satisfies the requirements of the practically viable prediction.

Principles of light energy management

NASA Astrophysics Data System (ADS)

Davis, N.

1994-03-01

Six methods used to minimize excess energy effects associated with lighting systems for plant growth chambers are reviewed in this report. The energy associated with wall transmission and chamber operating equipment and the experimental requirements, such as fresh air and internal equipment, are not considered here. Only the energy associated with providing and removing the energy for lighting is considered.

How to Organize and Communicatre Your Energy Data. A Guide to Energy Accounting.

ERIC Educational Resources Information Center

Cornwall, Bonnie J.

Stategies for organizing data on a district's energy use are presented in this guide, originally intended for use in California schools. Also presented are methods of communicating this information to those involved in planning, in recordkeeping, and in motivating staff and students to save energy. The energy accounting system offered in the first…

Principles of light energy management

NASA Technical Reports Server (NTRS)

Davis, N.

1994-01-01

Six methods used to minimize excess energy effects associated with lighting systems for plant growth chambers are reviewed in this report. The energy associated with wall transmission and chamber operating equipment and the experimental requirements, such as fresh air and internal equipment, are not considered here. Only the energy associated with providing and removing the energy for lighting is considered.

Method and system for storing and generating hydrogen

NASA Technical Reports Server (NTRS)

Kindler, Andrew (Inventor); Narayanan, Sri R. (Inventor); Huang, Yuhong (Inventor)

2011-01-01

A method and system for storing and generating hydrogen. The method comprises generating hydrogen and heat from the reaction of a metal or metal compound with water. The heat generated from this reaction may then be converted to other forms of energy such as by passing the heat through a thermal electric device to recover electrical energy for storage in a battery. In an alternative and preferred embodiment, the heat is used to drive additional reactions for generating more hydrogen and is preferably used to drive an endothermic dehydrogenation reaction resulting in increased hydrogen generation and consumption of the heat.

Entanglement witnesses in spin models

NASA Astrophysics Data System (ADS)

Tóth, Géza

2005-01-01

We construct entanglement witnesses using fundamental quantum operators of spin models which contain two-particle interactions and have a certain symmetry. By choosing the Hamiltonian as such an operator, our method can be used for detecting entanglement by energy measurement. We apply this method to the Heisenberg model in a cubic lattice with a magnetic field, the XY model, and other familiar spin systems. Our method provides a temperature bound for separable states for systems in thermal equilibrium. We also study the Bose-Hubbard model and relate its energy minimum for separable states to the minimum obtained from the Gutzwiller ansatz.

Energy monitoring system based on human activity in the workplace

NASA Astrophysics Data System (ADS)

Mustafa, Nur Hanim; Husain, Mohd Nor; Aziz, Mohamad Zoinol Abidin Abdul; Othman, Mohd Azlishah; Malek, Fareq

2015-05-01

Human behaviors always related to day routine activities in a smart house directly give the significant factor to manage energy usage in human life. An Addition that, the factor will contribute to the best efficiency of the system. This paper will focus on the monitoring efficiency based on duration time in office hours around 8am until 5pm which depend on human behavior at working place. Besides that, the correlation coefficient method is used to show the relation between energy consumption and energy saving based on the total hours of time energy spent. In future, the percentages of energy monitoring system usage will be increase to manage energy saving based on human behaviors. This scenario will help to see the human activity in the workplace in order to get the energy saving and support world green environment.

Fast Reliability Assessing Method for Distribution Network with Distributed Renewable Energy Generation

NASA Astrophysics Data System (ADS)

Chen, Fan; Huang, Shaoxiong; Ding, Jinjin; Ding, Jinjin; Gao, Bo; Xie, Yuguang; Wang, Xiaoming

2018-01-01

This paper proposes a fast reliability assessing method for distribution grid with distributed renewable energy generation. First, the Weibull distribution and the Beta distribution are used to describe the probability distribution characteristics of wind speed and solar irradiance respectively, and the models of wind farm, solar park and local load are built for reliability assessment. Then based on power system production cost simulation probability discretization and linearization power flow, a optimal power flow objected with minimum cost of conventional power generation is to be resolved. Thus a reliability assessment for distribution grid is implemented fast and accurately. The Loss Of Load Probability (LOLP) and Expected Energy Not Supplied (EENS) are selected as the reliability index, a simulation for IEEE RBTS BUS6 system in MATLAB indicates that the fast reliability assessing method calculates the reliability index much faster with the accuracy ensured when compared with Monte Carlo method.

Hadronic vector boson decay and the art of calorimeter calibration

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

Lobban, Olga Barbara

2002-12-01

Presented here are several studies involving the energy measurement of particles using calorimeters. The first study involves the effects of radiation damage on the response of a prototype calorimeter for the Compact Muon Solenoid experiment. We found that the effects of radiation damage on the calorimeter·s response arc dose dependent and that most of the damage will occur in the first year of running at the Large Hadron Collider. Another study involved the assessment of the Energy Flow Method an algorithm which combines the information from the calorimeter system is combined with that from the tracking system in an attmpt to improve the energy resolution for jet measurements. Using the Energy Flow method an improvement ofmore » $$\\sim30\\%$$ is found but this impovement decreases at high energies when the hadronic calorimeter resolution dominates the quality of the jet energy measurements. Finally, we developed a new method to calibrate a longitudinally segnmented calorimeter. This method eliminates problems with the traditional method used for the calorimeters at the Collider Detector at Fermilab. We applied this new method in the search for hadrunic decays of the $W$ and $Z$ bosons in a sample of dijet data taken during Tevatron Run IC. A signal of 9873±3950(sys) ±1130 events was found when the new calibration method was used. This corresponds to a cross section $$\\sigma(p\\bar{p} \\to W,Z) \\cdot B(W,Z \\to jets) = 35.6 \\pm 14.2 ({\\rm sys}) \\pm 4.1 (\\rm{stat})$$ nb.« less

Modeling, Analysis, and Impedance Design of Battery Energy Stored Single-Phase Quasi-Z Source Photovoltaic Inverter System

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

Xue, Yaosuo

The battery energy stored quasi-Z-source (BES-qZS) based photovoltaic (PV) power generation system combines advantages of the qZS inverter and the battery energy storage system. However, the second harmonic (2 ) power ripple will degrade the system's performance and affect the system's design. An accurate model to analyze the 2 ripple is very important. The existing models did not consider the battery, and with the assumption L1=L2 and C1=C2, which causes the non-optimized design for the impedance parameters of qZS network. This paper proposes a comprehensive model for single-phase BES-qZS-PV inverter system, where the battery is considered and without any restrictionmore » of L1, L2, C1, and C2. A BES-qZS impedance design method based on the built model is proposed to mitigate the 2 ripple. Simulation and experimental results verify the proposed 2 ripple model and design method.« less

Numerical solution of the nonlinear Schrodinger equation by feedforward neural networks

NASA Astrophysics Data System (ADS)

Shirvany, Yazdan; Hayati, Mohsen; Moradian, Rostam

2008-12-01

We present a method to solve boundary value problems using artificial neural networks (ANN). A trial solution of the differential equation is written as a feed-forward neural network containing adjustable parameters (the weights and biases). From the differential equation and its boundary conditions we prepare the energy function which is used in the back-propagation method with momentum term to update the network parameters. We improved energy function of ANN which is derived from Schrodinger equation and the boundary conditions. With this improvement of energy function we can use unsupervised training method in the ANN for solving the equation. Unsupervised training aims to minimize a non-negative energy function. We used the ANN method to solve Schrodinger equation for few quantum systems. Eigenfunctions and energy eigenvalues are calculated. Our numerical results are in agreement with their corresponding analytical solution and show the efficiency of ANN method for solving eigenvalue problems.

Chaotic dynamics of controlled electric power systems

NASA Astrophysics Data System (ADS)

Kozlov, V. N.; Trosko, I. U.

2016-12-01

The conditions for appearance of chaotic dynamics of electromagnetic and electromechanical processes in energy systems described by the Park-Gorev bilinear differential equations with account for lags of coordinates and restrictions on control have been formulated. On the basis of classical equations, the parameters of synchronous generators and power lines, at which the chaotic dynamics of energy systems appears, have been found. The qualitative and quantitative characteristics of chaotic processes in energy associations of two types, based on the Hopf theorem, and methods of nonstationary linearization and decompositions are given. The properties of spectral characteristics of chaotic processes have been investigated, and the qualitative similarity of bilinear equations of power systems and Lorentz equations have been found. These results can be used for modernization of the systems of control of energy objects. The qualitative and quantitative characteristics for power energy systems as objects of control and for some laws of control with the feedback have been established.

A review on energy harvesting approaches for renewable energies from ambient vibrations and acoustic waves using piezoelectricity

NASA Astrophysics Data System (ADS)

Ahmed, Riaz; Mir, Fariha; Banerjee, Sourav

2017-08-01

The principal objective of this article is to categorically review and compare the state of the art vibration based energy harvesting approaches. To evaluate the contemporary methodologies with respect to their physics, average power output and operational frequencies, systematically divided and easy readable tables are presented followed by the description of the energy harvesting methods. Energy harvesting is the process of obtaining electrical energy from the surrounding vibratory mechanical systems through an energy conversion method using smart structures, like, piezoelectric, electrostatic materials. Recent advancements in low power electronic gadgets, micro electro mechanical systems, and wireless sensors have significantly increased local power demand. In order to circumvent the energy demand; to allow limitless power supply, and to avoid chemical waste from conventional batteries, low power local energy harvesters are proposed for harvesting energy from different ambient energy sources. Piezoelectric materials have received tremendous interest in energy harvesting technology due to its unique ability to capitalize the ambient vibrations to generate electric potential. Their crystalline configuration allows the material to convert mechanical strain energy into electrical potential, and vice versa. This article discusses the various approaches in vibration based energy scavenging where piezoelectric materials are employed as the energy conversion medium.

A New Energy-Saving Catalytic System: Carbon Dioxide Activation by a Metal/Carbon Catalyst.

PubMed

Yun, Danim; Park, Dae Sung; Lee, Kyung Rok; Yun, Yang Sik; Kim, Tae Yong; Park, Hongseok; Lee, Hyunjoo; Yi, Jongheop

2017-09-22

The conversion of CO 2 into useful chemicals is an attractive method to reduce greenhouse gas emissions and to produce sustainable chemicals. However, the thermodynamic stability of CO 2 means that a lot of energy is required for its conversion into chemicals. Here, we suggest a new catalytic system with an alternative heating system that allows minimal energy consumption during CO 2 conversion. In this system, electrical energy is transferred as heat energy to the carbon-supported metal catalyst. Fast ramping rates allow high operating temperatures (T app =250 °C) to be reached within 5 min, which leads to an 80-fold decrease of energy consumption in methane reforming using CO 2 (DRM). In addition, the consumed energy normalized by time during the DRM reaction in this current-assisted catalysis is sixfold lower (11.0 kJ min -1 ) than that in conventional heating systems (68.4 kJ min -1 ). © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Site dependent factors affecting the economic feasibility of solar powered absorption cooling

NASA Technical Reports Server (NTRS)

Bartlett, J. C.

1978-01-01

A procedure was developed to evaluate the cost effectiveness of combining an absorption cycle chiller with a solar energy system. A basic assumption of the procedure is that a solar energy system exists for meeting the heating load of the building, and that the building must be cooled. The decision to be made is to either cool the building with a conventional vapor compression cycle chiller or to use the existing solar energy system to provide a heat input to the absorption chiller. Two methods of meeting the cooling load not supplied by solar energy were considered. In the first method, heat is supplied to the absorption chiller by a boiler using fossil fuel. In the second method, the load not met by solar energy is net by a conventional vapor compression chiller. In addition, the procedure can consider waste heat as another form of auxiliary energy. Commercial applications of solar cooling with an absorption chiller were found to be more cost effective than the residential applications. In general, it was found that the larger the chiller, the more economically feasible it would be. Also, it was found that a conventional vapor compression chiller is a viable alternative for the auxiliary cooling source, especially for the larger chillers. The results of the analysis gives a relative rating of the sites considered as to their economic feasibility of solar cooling.

Hybrid robust predictive optimization method of power system dispatch

DOEpatents

Chandra, Ramu Sharat [Niskayuna, NY; Liu, Yan [Ballston Lake, NY; Bose, Sumit [Niskayuna, NY; de Bedout, Juan Manuel [West Glenville, NY

2011-08-02

A method of power system dispatch control solves power system dispatch problems by integrating a larger variety of generation, load and storage assets, including without limitation, combined heat and power (CHP) units, renewable generation with forecasting, controllable loads, electric, thermal and water energy storage. The method employs a predictive algorithm to dynamically schedule different assets in order to achieve global optimization and maintain the system normal operation.

The Gibbs Energy Basis and Construction of Boiling Point Diagrams in Binary Systems

ERIC Educational Resources Information Center

Smith, Norman O.

2004-01-01

An illustration of how excess Gibbs energies of the components in binary systems can be used to construct boiling point diagrams is given. The underlying causes of the various types of behavior of the systems in terms of intermolecular forces and the method of calculating the coexisting liquid and vapor compositions in boiling point diagrams with…

Superheat recovery system shakes savings out of A/C systems

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

Not Available

1985-09-01

One of the most productive and least expensive methods of recovering waste heat is a system that reclaims the excess energy or superheat generated by closed-loop-air conditioning or refrigeration cycles. Installed recently in 72 Steak N' Shakes restaurants as part of a total energy conservation package, it has helped cut gas bills by more than 70%.

Electrical energy consumption control apparatuses and electrical energy consumption control methods

DOEpatents

Hammerstrom, Donald J.

2012-09-04

Electrical energy consumption control apparatuses and electrical energy consumption control methods are described. According to one aspect, an electrical energy consumption control apparatus includes processing circuitry configured to receive a signal which is indicative of current of electrical energy which is consumed by a plurality of loads at a site, to compare the signal which is indicative of current of electrical energy which is consumed by the plurality of loads at the site with a desired substantially sinusoidal waveform of current of electrical energy which is received at the site from an electrical power system, and to use the comparison to control an amount of the electrical energy which is consumed by at least one of the loads of the site.

Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain Restriction

DOE PAGES

Dama, James F.; Hocky, Glen M.; Sun, Rui; ...

2015-11-03

Metadynamics is an enhanced sampling method designed to flatten free energy surfaces uniformly. However, the highest-energy regions are often irrelevant to study and dangerous to explore because systems often respond irreversibly in unforeseen ways in response to driving forces in these regions, spoiling the sampling. Introducing an on-the-fly domain restriction allows metadynamics to flatten only up to a specified energy level and no further, improving efficiency and safety while decreasing the pressure on practitioners to design collective variables that are robust to otherwise irrelevant high energy driving. Here this paper describes a new method that achieves this using sequential on-the-flymore » estimation of energy wells and redefinition of the metadynamics hill shape, termed metabasin metadynamics. The energy level may be defined a priori or relative to unknown barrier energies estimated on the fly. Altering only the hill ensures that the method is compatible with many other advances in metadynamics methodology. The hill shape has a natural interpretation in terms of multiscale dynamics and the computational overhead in simulation is minimal when studying systems of any reasonable size, for instance proteins or other macromolecules. Ultimately, three example applications show that the formula is accurate and robust to complex dynamics, making metadynamics significantly more forgiving with respect to CV quality and thus more feasible to apply to the most challenging biomolecular systems.« less

Standardization of the energy performance of photovoltaic modules in real operating conditions

NASA Astrophysics Data System (ADS)

Viganó, Davide; Kenny, Robert P.; Müllejans, Harald; Alimonti, Gianluca

2014-12-01

The performance of a PV module at STC [1] is a useful indicator for comparing the peak performance of different module types, but on its own is not sufficient to accurately predict how much energy a module will deliver in the field when subjected to a wide range of real operating conditions [2]. An Energy Rating approach has to be preferred for that aim. It is currently under development the standard series IEC 61853 on Energy Rating, for which only part 1 [3] has been issued. It describes methods to characterize the module performance as a function of irradiance and temperature. The reproducibility of the power matrix measurements obtained by the three different methods specified in the standard, namely: under natural sunlight using a tracking system; under natural sunlight without tracker; and a large area pulsed solar simulator of Class AAA were evaluated and discussed [4,5]. The work here presented is focused on the second method listed above, which explores the real working conditions for a PV device and therefore it represents the situation where Energy Rating procedures are expected to give the largest deviations from the STC predictions. The system for continuous monitoring of module performances, already implemented at ESTI, has been recently replaced with a new system having a number of improvements described in the following. The two system results have been compared showing a discrete compatibility. The two power matrices are then merged together using a weighted average and compared to those acquired with the other two remaining "ideal" systems. An interesting tendency seems to come up from this comparison, making the power rating under real operating conditions an essential procedure for energy rating purposes.

Solar Energy Systems for Lunar Oxygen Generation

NASA Technical Reports Server (NTRS)

Colozza, Anthony J.; Heller, Richard S.; Wong, Wayne A.; Hepp, Aloysius F.

2010-01-01

An evaluation of several solar concentrator-based systems for producing oxygen from lunar regolith was performed. The systems utilize a solar concentrator mirror to provide thermal energy for the oxygen production process. Thermal energy to power a Stirling heat engine and photovoltaics are compared for the production of electricity. The electricity produced is utilized to operate the equipment needed in the oxygen production process. The initial oxygen production method utilized in the analysis is hydrogen reduction of ilmenite. Utilizing this method of oxygen production a baseline system design was produced. This baseline system had an oxygen production rate of 0.6 kg/hr with a concentrator mirror size of 5 m. Variations were performed on the baseline design to show how changes in the system size and process (rate) affected the oxygen production rate. An evaluation of the power requirements for a carbothermal lunar regolith reduction reactor has also been conducted. The reactor had a total power requirement between 8,320 to 9,961 W when producing 1000 kg/year of oxygen. The solar concentrator used to provide the thermal power (over 82 percent of the total energy requirement) would have a diameter of less than 4 m.

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

NASA Astrophysics Data System (ADS)

Egidi, Franco; Segado, Mireia; Koch, Henrik; Cappelli, Chiara; Barone, Vincenzo

2014-12-01

In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π*, π-π*, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

A benchmark study of electronic excitation energies, transition moments, and excited-state energy gradients on the nicotine molecule

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

Egidi, Franco, E-mail: franco.egidi@sns.it; Segado, Mireia; Barone, Vincenzo, E-mail: vincenzo.barone@sns.it

In this work, we report a comparative study of computed excitation energies, oscillator strengths, and excited-state energy gradients of (S)-nicotine, chosen as a test case, using multireference methods, coupled cluster singles and doubles, and methods based on time-dependent density functional theory. This system was chosen because its apparent simplicity hides a complex electronic structure, as several different types of valence excitations are possible, including n-π{sup *}, π-π{sup *}, and charge-transfer states, and in order to simulate its spectrum it is necessary to describe all of them consistently well by the chosen method.

Energy system contribution to 400-metre and 800-metre track running.

PubMed

Duffield, Rob; Dawson, Brian; Goodman, Carmel

2005-03-01

As a wide range of values has been reported for the relative energetics of 400-m and 800-m track running events, this study aimed to quantify the respective aerobic and anaerobic energy contributions to these events during track running. Sixteen trained 400-m (11 males, 5 females) and 11 trained 800-m (9 males, 2 females) athletes participated in this study. The participants performed (on separate days) a laboratory graded exercsie test and multiple race time-trials. The relative energy system contribution was calculated by multiple methods based upon measures of race VO2, accumulated oxygen deficit (AOD), blood lactate and estimated phosphocreatine degradation (lactate/PCr). The aerobic/anaerobic energy system contribution (AOD method) to the 400-m event was calculated as 41/59% (male) and 45/55% (female). For the 800-m event, an increased aerobic involvement was noted with a 60/40% (male) and 70/30% (female) respective contribution. Significant (P < 0.05) negative correlations were noted between race performance and anaerobic energy system involvement (lactate/PCr) for the male 800-m and female 400-m events (r = - 0.77 and - 0.87 respectively). These track running data compare well with previous estimates of the relative energy system contributions to the 400-m and 800-m events. Additionally, the relative importance and speed of interaction of the respective metabolic pathways has implications to training for these events.

Accelerated molecular dynamics: A promising and efficient simulation method for biomolecules

NASA Astrophysics Data System (ADS)

Hamelberg, Donald; Mongan, John; McCammon, J. Andrew

2004-06-01

Many interesting dynamic properties of biological molecules cannot be simulated directly using molecular dynamics because of nanosecond time scale limitations. These systems are trapped in potential energy minima with high free energy barriers for large numbers of computational steps. The dynamic evolution of many molecular systems occurs through a series of rare events as the system moves from one potential energy basin to another. Therefore, we have proposed a robust bias potential function that can be used in an efficient accelerated molecular dynamics approach to simulate the transition of high energy barriers without any advance knowledge of the location of either the potential energy wells or saddle points. In this method, the potential energy landscape is altered by adding a bias potential to the true potential such that the escape rates from potential wells are enhanced, which accelerates and extends the time scale in molecular dynamics simulations. Our definition of the bias potential echoes the underlying shape of the potential energy landscape on the modified surface, thus allowing for the potential energy minima to be well defined, and hence properly sampled during the simulation. We have shown that our approach, which can be extended to biomolecules, samples the conformational space more efficiently than normal molecular dynamics simulations, and converges to the correct canonical distribution.

Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and application.

PubMed

Phillips, Jordan J; Peralta, Juan E

2013-05-07

We present a method for calculating magnetic coupling parameters from a single spin-configuration via analytic derivatives of the electronic energy with respect to the local spin direction. This method does not introduce new approximations beyond those found in the Heisenberg-Dirac Hamiltonian and a standard Kohn-Sham Density Functional Theory calculation, and in the limit of an ideal Heisenberg system it reproduces the coupling as determined from spin-projected energy-differences. Our method employs a generalized perturbative approach to constrained density functional theory, where exact expressions for the energy to second order in the constraints are obtained by analytic derivatives from coupled-perturbed theory. When the relative angle between magnetization vectors of metal atoms enters as a constraint, this allows us to calculate all the magnetic exchange couplings of a system from derivatives with respect to local spin directions from the high-spin configuration. Because of the favorable computational scaling of our method with respect to the number of spin-centers, as compared to the broken-symmetry energy-differences approach, this opens the possibility for the blackbox exploration of magnetic properties in large polynuclear transition-metal complexes. In this work we outline the motivation, theory, and implementation of this method, and present results for several model systems and transition-metal complexes with a variety of density functional approximations and Hartree-Fock.

Optical air data systems and methods

NASA Technical Reports Server (NTRS)

Spaeth, Lisa G. (Inventor); O'Brien, Martin (Inventor); Tang, Shoou-yu (Inventor); Acott, Phillip E. (Inventor); Caldwell, Loren M. (Inventor)

2011-01-01

Systems and methods for sensing air includes at least one, and in some embodiments three, transceivers for projecting the laser energy as laser radiation to the air. The transceivers are scanned or aligned along several different axes. Each transceiver receives laser energy as it is backscattered from the air. A computer processes signals from the transceivers to distinguish molecular scattered laser radiation from aerosol scattered laser radiation and determines air temperatures, wind speeds, and wind directions based on the scattered laser radiation. Applications of the system to wind power site evaluation, wind turbine control, traffic safety, general meteorological monitoring and airport safety are presented.

Analysis of the performance of the drive system and diffuser of the Langley unitary plan wind tunnel

NASA Technical Reports Server (NTRS)

Hasel, L. E.; Stallings, R. L.

1981-01-01

A broad program was initiated at the Langley Research Center in 1973 to reduce the energy consumption of the laboratory. As a part of this program, the performance characteristics of the Unitary Plan Wind Tunnel were reexamined to determine if potential methods for incresing the operating efficiencies of the tunnel could be formulated. The results of that study are summarized. The performance characteristics of the drive system components and the variable-geometry diffuser system of the tunnel are documented and analyzed. Several potential methods for reducing the energy requirements of the facility are discussed.

High power laser downhole cutting tools and systems

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

Zediker, Mark S; Rinzler, Charles C; Faircloth, Brian O

Downhole cutting systems, devices and methods for utilizing 10 kW or more laser energy transmitted deep into the earth with the suppression of associated nonlinear phenomena. Systems and devices for the laser cutting operations within a borehole in the earth. These systems and devices can deliver high power laser energy down a deep borehole, while maintaining the high power to perform cutting operations in such boreholes deep within the earth.

Building Energy Modeling and Control Methods for Optimization and Renewables Integration

NASA Astrophysics Data System (ADS)

Burger, Eric M.

This dissertation presents techniques for the numerical modeling and control of building systems, with an emphasis on thermostatically controlled loads. The primary objective of this work is to address technical challenges related to the management of energy use in commercial and residential buildings. This work is motivated by the need to enhance the performance of building systems and by the potential for aggregated loads to perform load following and regulation ancillary services, thereby enabling the further adoption of intermittent renewable energy generation technologies. To increase the generalizability of the techniques, an emphasis is placed on recursive and adaptive methods which minimize the need for customization to specific buildings and applications. The techniques presented in this dissertation can be divided into two general categories: modeling and control. Modeling techniques encompass the processing of data streams from sensors and the training of numerical models. These models enable us to predict the energy use of a building and of sub-systems, such as a heating, ventilation, and air conditioning (HVAC) unit. Specifically, we first present an ensemble learning method for the short-term forecasting of total electricity demand in buildings. As the deployment of intermittent renewable energy resources continues to rise, the generation of accurate building-level electricity demand forecasts will be valuable to both grid operators and building energy management systems. Second, we present a recursive parameter estimation technique for identifying a thermostatically controlled load (TCL) model that is non-linear in the parameters. For TCLs to perform demand response services in real-time markets, online methods for parameter estimation are needed. Third, we develop a piecewise linear thermal model of a residential building and train the model using data collected from a custom-built thermostat. This model is capable of approximating unmodeled dynamics within a building by learning from sensor data. Control techniques encompass the application of optimal control theory, model predictive control, and convex distributed optimization to TCLs. First, we present the alternative control trajectory (ACT) representation, a novel method for the approximate optimization of non-convex discrete systems. This approach enables the optimal control of a population of non-convex agents using distributed convex optimization techniques. Second, we present a distributed convex optimization algorithm for the control of a TCL population. Experimental results demonstrate the application of this algorithm to the problem of renewable energy generation following. This dissertation contributes to the development of intelligent energy management systems for buildings by presenting a suite of novel and adaptable modeling and control techniques. Applications focus on optimizing the performance of building operations and on facilitating the integration of renewable energy resources.

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

NONE

The report is an overview of electric energy efficiency programs. It takes a concise look at what states are doing to encourage energy efficiency and how it impacts electric utilities. Energy efficiency programs began to be offered by utilities as a response to the energy crises of the 1970s. These regulatory-driven programs peaked in the early-1990s and then tapered off as deregulation took hold. Today, rising electricity prices, environmental concerns, and national security issues have renewed interest in increasing energy efficiency as an alternative to additional supply. In response, new methods for administering, managing, and delivering energy efficiency programs aremore » being implemented. Topics covered in the report include: Analysis of the benefits of energy efficiency and key methods for achieving energy efficiency; evaluation of the business drivers spurring increased energy efficiency; Discussion of the major barriers to expanding energy efficiency programs; evaluation of the economic impacts of energy efficiency; discussion of the history of electric utility energy efficiency efforts; analysis of the impact of energy efficiency on utility profits and methods for protecting profitability; Discussion of non-utility management of energy efficiency programs; evaluation of major methods to spur energy efficiency - systems benefit charges, resource planning, and resource standards; and, analysis of the alternatives for encouraging customer participation in energy efficiency programs.« less

77 FR 54935 - Government-Owned Inventions, Available for Licensing.

Federal Register 2010, 2011, 2012, 2013, 2014

2012-09-06

...: Systems and Methods for Peak-Seeking Control Polarization-Induced Fading in Fiber-Optic System; NASA Case... FURTHER INFORMATION CONTACT: Mark W. Homer, Patent Counsel, NASA Management Office--JPL, 4800 Oak Grove...; NASA Case No. NPO-47580-1: Energy Harvesting Systems and Methods of Assembling Same; NASA Case No. NPO...

Systems and methods for multi-fluid geothermal energy systems

DOEpatents

Buscheck, Thomas A.

2017-09-19

A method for extracting geothermal energy from a geothermal reservoir formation. A production well is used to extract brine from the reservoir formation. At least one of nitrogen (N.sub.2) and carbon dioxide (CO.sub.2) may be used to form a supplemental working fluid which may be injected into a supplemental working fluid injection well. The supplemental working fluid may be used to augment a pressure of the reservoir formation, to thus drive a flow of the brine out from the reservoir formation.

48 CFR 917.7301 - Policy.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 48 Federal Acquisition Regulations System 5 2010-10-01 2010-10-01 false Policy. 917.7301 Section 917.7301 Federal Acquisition Regulations System DEPARTMENT OF ENERGY CONTRACTING METHODS AND CONTRACT TYPES SPECIAL CONTRACTING METHODS Program Research and Development Announcements 917.7301 Policy. ...

Multi-timescale power and energy assessment of lithium-ion battery and supercapacitor hybrid system using extended Kalman filter

NASA Astrophysics Data System (ADS)

Wang, Yujie; Zhang, Xu; Liu, Chang; Pan, Rui; Chen, Zonghai

2018-06-01

The power capability and maximum charge and discharge energy are key indicators for energy management systems, which can help the energy storage devices work in a suitable area and prevent them from over-charging and over-discharging. In this work, a model based power and energy assessment approach is proposed for the lithium-ion battery and supercapacitor hybrid system. The model framework of the lithium-ion battery and supercapacitor hybrid system is developed based on the equivalent circuit model, and the model parameters are identified by regression method. Explicit analyses of the power capability and maximum charge and discharge energy prediction with multiple constraints are elaborated. Subsequently, the extended Kalman filter is employed for on-board power capability and maximum charge and discharge energy prediction to overcome estimation error caused by system disturbance and sensor noise. The charge and discharge power capability, and the maximum charge and discharge energy are quantitatively assessed under both the dynamic stress test and the urban dynamometer driving schedule. The maximum charge and discharge energy prediction of the lithium-ion battery and supercapacitor hybrid system with different time scales are explored and discussed.

Correcting for the free energy costs of bond or angle constraints in molecular dynamics simulations.

PubMed

König, Gerhard; Brooks, Bernard R

2015-05-01

Free energy simulations are an important tool in the arsenal of computational biophysics, allowing the calculation of thermodynamic properties of binding or enzymatic reactions. This paper introduces methods to increase the accuracy and precision of free energy calculations by calculating the free energy costs of constraints during post-processing. The primary purpose of employing constraints for these free energy methods is to increase the phase space overlap between ensembles, which is required for accuracy and convergence. The free energy costs of applying or removing constraints are calculated as additional explicit steps in the free energy cycle. The new techniques focus on hard degrees of freedom and use both gradients and Hessian estimation. Enthalpy, vibrational entropy, and Jacobian free energy terms are considered. We demonstrate the utility of this method with simple classical systems involving harmonic and anharmonic oscillators, four-atomic benchmark systems, an alchemical mutation of ethane to methanol, and free energy simulations between alanine and serine. The errors for the analytical test cases are all below 0.0007kcal/mol, and the accuracy of the free energy results of ethane to methanol is improved from 0.15 to 0.04kcal/mol. For the alanine to serine case, the phase space overlaps of the unconstrained simulations range between 0.15 and 0.9%. The introduction of constraints increases the overlap up to 2.05%. On average, the overlap increases by 94% relative to the unconstrained value and precision is doubled. The approach reduces errors arising from constraints by about an order of magnitude. Free energy simulations benefit from the use of constraints through enhanced convergence and higher precision. The primary utility of this approach is to calculate free energies for systems with disparate energy surfaces and bonded terms, especially in multi-scale molecular mechanics/quantum mechanics simulations. This article is part of a Special Issue entitled Recent developments of molecular dynamics. Published by Elsevier B.V.

Analytical sizing methods for behind-the-meter battery storage

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

Wu, Di; Kintner-Meyer, Michael; Yang, Tao

In behind-the-meter application, battery storage system (BSS) is utilized to reduce a commercial or industrial customer’s payment for electricity use, including energy charge and demand charge. The potential value of BSS in payment reduction and the most economic size can be determined by formulating and solving standard mathematical programming problems. In this method, users input system information such as load profiles, energy/demand charge rates, and battery characteristics to construct a standard programming problem that typically involve a large number of constraints and decision variables. Such a large scale programming problem is then solved by optimization solvers to obtain numerical solutions.more » Such a method cannot directly link the obtained optimal battery sizes to input parameters and requires case-by-case analysis. In this paper, we present an objective quantitative analysis of costs and benefits of customer-side energy storage, and thereby identify key factors that affect battery sizing. Based on the analysis, we then develop simple but effective guidelines that can be used to determine the most cost-effective battery size or guide utility rate design for stimulating energy storage development. The proposed analytical sizing methods are innovative, and offer engineering insights on how the optimal battery size varies with system characteristics. We illustrate the proposed methods using practical building load profile and utility rate. The obtained results are compared with the ones using mathematical programming based methods for validation.« less

Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions

PubMed Central

Wojtas-Niziurski, Wojciech; Meng, Yilin; Roux, Benoit; Bernèche, Simon

2013-01-01

The potential of mean force describing conformational changes of biomolecules is a central quantity that determines the function of biomolecular systems. Calculating an energy landscape of a process that depends on three or more reaction coordinates might require a lot of computational power, making some of multidimensional calculations practically impossible. Here, we present an efficient automatized umbrella sampling strategy for calculating multidimensional potential of mean force. The method progressively learns by itself, through a feedback mechanism, which regions of a multidimensional space are worth exploring and automatically generates a set of umbrella sampling windows that is adapted to the system. The self-learning adaptive umbrella sampling method is first explained with illustrative examples based on simplified reduced model systems, and then applied to two non-trivial situations: the conformational equilibrium of the pentapeptide Met-enkephalin in solution and ion permeation in the KcsA potassium channel. With this method, it is demonstrated that a significant smaller number of umbrella windows needs to be employed to characterize the free energy landscape over the most relevant regions without any loss in accuracy. PMID:23814508

An interval-possibilistic basic-flexible programming method for air quality management of municipal energy system through introducing electric vehicles.

PubMed

Yu, L; Li, Y P; Huang, G H; Shan, B G

2017-09-01

Contradictions of sustainable transportation development and environmental issues have been aggravated significantly and been one of the major concerns for energy systems planning and management. A heavy emphasis is placed on stimulation of electric vehicles (EVs) to handle these problems associated with various complexities and uncertainties in municipal energy system (MES). In this study, an interval-possibilistic basic-flexible programming (IPBFP) method is proposed for planning MES of Qingdao, where uncertainties expressed as interval-flexible variables and interval-possibilistic parameters can be effectively reflected. Support vector regression (SVR) is used for predicting electricity demand of the city under various scenarios. Solutions of EVs stimulation levels and satisfaction levels in association with flexible constraints and predetermined necessity degrees are analyzed, which can help identify the optimized energy-supply patterns that could plunk for improvement of air quality and hedge against violation of soft constraints. Results disclose that largely developing EVs can help facilitate the city's energy system with an environment-effective way. However, compared to the rapid growth of transportation, the EVs' contribution of improving the city's air quality is limited. It is desired that, to achieve an environmentally sustainable MES, more concerns should be focused on the integration of increasing renewable energy resources, stimulating EVs as well as improving energy transmission, transport and storage. Copyright © 2017 Elsevier B.V. All rights reserved.

Simplified DFT methods for consistent structures and energies of large systems

NASA Astrophysics Data System (ADS)

Caldeweyher, Eike; Gerit Brandenburg, Jan

2018-05-01

Kohn–Sham density functional theory (DFT) is routinely used for the fast electronic structure computation of large systems and will most likely continue to be the method of choice for the generation of reliable geometries in the foreseeable future. Here, we present a hierarchy of simplified DFT methods designed for consistent structures and non-covalent interactions of large systems with particular focus on molecular crystals. The covered methods are a minimal basis set Hartree–Fock (HF-3c), a small basis set screened exchange hybrid functional (HSE-3c), and a generalized gradient approximated functional evaluated in a medium-sized basis set (B97-3c), all augmented with semi-classical correction potentials. We give an overview on the methods design, a comprehensive evaluation on established benchmark sets for geometries and lattice energies of molecular crystals, and highlight some realistic applications on large organic crystals with several hundreds of atoms in the primitive unit cell.

Method and apparatus for thermal swing adsorption and thermally-enhanced pressure swing adsorption

DOEpatents

Wegeng, Robert S.; Rassat, Scot D.; TeGrotenhuis, Ward E.; Drost, Kevin; Vishwanathan, Vilayanur V.

2004-06-08

The present invention provides compact adsorption systems that are capable of rapid temperature swings and rapid cycling. Novel methods of thermal swing adsorption and thermally-enhanced pressure swing adsorption are also described. In some aspects of the invention, a gas is passed through the adsorbent thus allowing heat exchangers to be very close to all portions of the adsorbent and utilize less space. In another aspect, the adsorption media is selectively heated, thus reducing energy costs. Methods and systems for gas adsorption/desorption having improved energy efficiency with capability of short cycle times are also described. In another aspect, the apparatus or methods utilize heat exchange channels of varying lengths that have volumes controlled to provide equal heat fluxes. Methods of fuel cell startup are also described. Advantages of the invention include the ability to use (typically) 30-100 times less adsorbent compared to conventional systems.

Chapter 22: Compressed Air 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; Benton, Nathanael; Burns, Patrick

Compressed-air systems are used widely throughout industry for many operations, including pneumatic tools, packaging and automation equipment, conveyors, and other industrial process operations. Compressed-air systems are defined as a group of subsystems composed of air compressors, air treatment equipment, controls, piping, pneumatic tools, pneumatically powered machinery, and process applications using compressed air. A compressed-air system has three primary functional subsystems: supply, distribution, and demand. Air compressors are the primary energy consumers in a compressed-air system and are the primary focus of this protocol. The two compressed-air energy efficiency measures specifically addressed in this protocol are: High-efficiency/variable speed drive (VSD) compressormore » replacing modulating, load/unload, or constant-speed compressor; and Compressed-air leak survey and repairs. This protocol provides direction on how to reliably verify savings from these two measures using a consistent approach for each.« less

Development and optimization of an energy-regenerative suspension system under stochastic road excitation

NASA Astrophysics Data System (ADS)

Huang, Bo; Hsieh, Chen-Yu; Golnaraghi, Farid; Moallem, Mehrdad

2015-11-01

In this paper a vehicle suspension system with energy harvesting capability is developed, and an analytical methodology for the optimal design of the system is proposed. The optimization technique provides design guidelines for determining the stiffness and damping coefficients aimed at the optimal performance in terms of ride comfort and energy regeneration. The corresponding performance metrics are selected as root-mean-square (RMS) of sprung mass acceleration and expectation of generated power. The actual road roughness is considered as the stochastic excitation defined by ISO 8608:1995 standard road profiles and used in deriving the optimization method. An electronic circuit is proposed to provide variable damping in the real-time based on the optimization rule. A test-bed is utilized and the experiments under different driving conditions are conducted to verify the effectiveness of the proposed method. The test results suggest that the analytical approach is credible in determining the optimality of system performance.

Improving urban district heating systems and assessing the efficiency of the energy usage therein

NASA Astrophysics Data System (ADS)

Orlov, M. E.; Sharapov, V. I.

2017-11-01

The report describes issues in connection with improving urban district heating systems from combined heat power plants (CHPs), to propose the ways for improving the reliability and the efficiency of the energy usage (often referred to as “energy efficiency”) in such systems. The main direction of such urban district heating systems improvement suggests transition to combined heating systems that include structural elements of both centralized and decentralized systems. Such systems provide the basic part of thermal power via highly efficient methods for extracting thermal power plants turbines steam, while peak loads are covered by decentralized peak thermal power sources to be mounted at consumers’ locations, with the peak sources being also reserve thermal power sources. The methodology was developed for assessing energy efficiency of the combined district heating systems, implemented as a computer software product capable of comparatively calculating saving on reference fuel for the system.

Polynomial dual energy inverse functions for bone Calcium/Phosphorus ratio determination and experimental evaluation.

PubMed

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

2016-12-01

An X-ray dual energy (XRDE) method was examined, using polynomial nonlinear approximation of inverse functions for the determination of the bone Calcium-to-Phosphorus (Ca/P) mass ratio. Inverse fitting functions with the least-squares estimation were used, to determine calcium and phosphate thicknesses. The method was verified by measuring test bone phantoms with a dedicated dual energy system and compared with previously published dual energy data. The accuracy in the determination of the calcium and phosphate thicknesses improved with the polynomial nonlinear inverse function method, introduced in this work, (ranged from 1.4% to 6.2%), compared to the corresponding linear inverse function method (ranged from 1.4% to 19.5%). Copyright © 2016 Elsevier Ltd. All rights reserved.

Self-adaptive enhanced sampling in the energy and trajectory spaces: accelerated thermodynamics and kinetic calculations.

PubMed

Gao, Yi Qin

2008-04-07

Here, we introduce a simple self-adaptive computational method to enhance the sampling in energy, configuration, and trajectory spaces. The method makes use of two strategies. It first uses a non-Boltzmann distribution method to enhance the sampling in the phase space, in particular, in the configuration space. The application of this method leads to a broad energy distribution in a large energy range and a quickly converged sampling of molecular configurations. In the second stage of simulations, the configuration space of the system is divided into a number of small regions according to preselected collective coordinates. An enhanced sampling of reactive transition paths is then performed in a self-adaptive fashion to accelerate kinetics calculations.

The Redox flow system for solar photovoltaic energy storage

NASA Technical Reports Server (NTRS)

Odonnell, P.; Gahn, R. F.

1976-01-01

A new method of storage was applied to a solar photovoltaic system. The storage method is a redox flow system which utilizes the oxidation-reduction capability of two soluble electrochemical redox couples for its storage capacity. The particular variant described separates the charging and discharging function of the system such that the electrochemical couples are simultaneously charged and discharged in separate parts of the system. The solar array had 12 solar cells; wired in order to give a range of voltages and currents. The system stored the solar energy so that a load could be run continually day and night. The main advantages of the redox system are that it can accept a charge in the low voltage range and produce a relatively constant output regardless of solar activity.

Managing Sustainable Demand-side Infrastructure for Power System Ancillary Services

NASA Astrophysics Data System (ADS)

Parkinson, Simon Christopher

Widespread access to renewable electricity is seen as a viable method to mitigate carbon emissions, although problematic are the issues associated with the integration of the generation systems within current power system configurations. Wind power plants are the primary large-scale renewable generation technology applied globally, but display considerable short-term supply variability that is difficult to predict. Power systems are currently not designed to operate under these conditions, and results in the need to increase operating reserve in order to guarantee stability. Often, operating conventional generation as reserve is both technically and economically inefficient, which can overshadow positive benefits associated with renewable energy exploitation. The purpose of this thesis is to introduce and assess an alternative method of enhancing power system operations through the control of electric loads. In particular, this thesis focuses on managing highly-distributed sustainable demand-side infrastructure, in the form of heat pumps, electric vehicles, and electrolyzers, as dispatchable short-term energy balancing resources. The main contribution of the thesis is an optimal control strategy capable of simultaneously balancing grid- and demand-side objectives. The viability of the load control strategy is assessed through model-based simulations that explicitly track end-use functionality of responsive devices within a power systems analysis typically implemented to observe the effects of integrated wind energy systems. Results indicate that there is great potential for the proposed method to displace the need for increased reserve capacity in systems considering a high penetration of wind energy, thereby allowing conventional generation to operate more efficiently and avoid the need for possible capacity expansions.

Förster resonance energy transfer, absorption and emission spectra in multichromophoric systems. III. Exact stochastic path integral evaluation.

PubMed

Moix, Jeremy M; Ma, Jian; Cao, Jianshu

2015-03-07

A numerically exact path integral treatment of the absorption and emission spectra of open quantum systems is presented that requires only the straightforward solution of a stochastic differential equation. The approach converges rapidly enabling the calculation of spectra of large excitonic systems across the complete range of system parameters and for arbitrary bath spectral densities. With the numerically exact absorption and emission operators, one can also immediately compute energy transfer rates using the multi-chromophoric Förster resonant energy transfer formalism. Benchmark calculations on the emission spectra of two level systems are presented demonstrating the efficacy of the stochastic approach. This is followed by calculations of the energy transfer rates between two weakly coupled dimer systems as a function of temperature and system-bath coupling strength. It is shown that the recently developed hybrid cumulant expansion (see Paper II) is the only perturbative method capable of generating uniformly reliable energy transfer rates and emission spectra across a broad range of system parameters.

Systems and methods for detecting an image of an object by use of an X-ray beam having a polychromatic distribution

DOEpatents

Parham, Christopher; Zhong, Zhong; Pisano, Etta; Connor, Dean; Chapman, Leroy D.

2010-06-22

Systems and methods for detecting an image of an object using an X-ray beam having a polychromatic energy distribution are disclosed. According to one aspect, a method can include detecting an image of an object. The method can include generating a first X-ray beam having a polychromatic energy distribution. Further, the method can include positioning a single monochromator crystal in a predetermined position to directly intercept the first X-ray beam such that a second X-ray beam having a predetermined energy level is produced. Further, an object can be positioned in the path of the second X-ray beam for transmission of the second X-ray beam through the object and emission from the object as a transmitted X-ray beam. The transmitted X-ray beam can be directed at an angle of incidence upon a crystal analyzer. Further, an image of the object can be detected from a beam diffracted from the analyzer crystal.

Rankine cycle condenser pressure control using an energy conversion device bypass valve

DOEpatents

Ernst, Timothy C; Nelson, Christopher R; Zigan, James A

2014-04-01

The disclosure provides a waste heat recovery system and method in which pressure in a Rankine cycle (RC) system of the WHR system is regulated by diverting working fluid from entering an inlet of an energy conversion device of the RC system. In the system, an inlet of a controllable bypass valve is fluidly coupled to a working fluid path upstream of an energy conversion device of the RC system, and an outlet of the bypass valve is fluidly coupled to the working fluid path upstream of the condenser of the RC system such that working fluid passing through the bypass valve bypasses the energy conversion device and increases the pressure in a condenser. A controller determines the temperature and pressure of the working fluid and controls the bypass valve to regulate pressure in the condenser.

Analysis of the influencing factors of global energy interconnection development

NASA Astrophysics Data System (ADS)

Zhang, Yi; He, Yongxiu; Ge, Sifan; Liu, Lin

2018-04-01

Under the background of building global energy interconnection and achieving green and low-carbon development, this paper grasps a new round of energy restructuring and the trend of energy technology change, based on the present situation of global and China's global energy interconnection development, established the index system of the impact of global energy interconnection development factors. A subjective and objective weight analysis of the factors affecting the development of the global energy interconnection was conducted separately by network level analysis and entropy method, and the weights are summed up by the method of additive integration, which gives the comprehensive weight of the influencing factors and the ranking of their influence.

Assessing Energy Efficiency Opportunities in US Industrial and Commercial Building Motor Systems

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

Rao, Prakash; Sheaffer, Paul; McKane, Aimee

2015-09-01

In 2002, the United States Department of Energy (USDOE) published an energy efficiency assessment of U.S. industrial sector motor systems titled United States Industrial Electric Motor Systems Market Opportunities Assessment. The assessment advanced motor system efficiency by providing a greater understanding of the energy consumption, use characteristics, and energy efficiency improvement potential of industrial sector motor systems in the U.S. Since 2002, regulations such as Minimum Energy Performance Standards, cost reductions for motor system components such as variable frequency drives, system-integrated motor-driven equipment, and awareness programs for motor system energy efficiency have changed the landscape of U.S. motor system energymore » consumption. To capture the new landscape, the USDOE has initiated a three-year Motor System Market Assessment (MSMA), led by Lawrence Berkeley National Laboratory (LBNL). The MSMA will assess the energy consumption, operational and maintenance characteristics, and efficiency improvement opportunity of U.S. industrial sector and commercial building motor systems. As part of the MSMA, a significant effort is currently underway to conduct field assessments of motor systems from a sample of facilities representative of U.S. commercial and industrial motor system energy consumption. The Field Assessment Plan used for these assessments builds on recent LBNL research presented at EEMODS 2011 and EEMODS 2013 using methods for characterizing and determining regional motor system energy efficiency opportunities. This paper provides an update on the development and progress of the MSMA, focusing on the Field Assessment Plan and the framework for assessing the global supply chain for emerging motors and drive technologies.« less

No Cost – Low Cost Compressed Air System Optimization in Industry

NASA Astrophysics Data System (ADS)

Dharma, A.; Budiarsa, N.; Watiniasih, N.; Antara, N. G.

2018-04-01

Energy conservation is a systematic, integrated of effort, in order to preserve energy sources and improve energy utilization efficiency. Utilization of energy in efficient manner without reducing the energy usage it must. Energy conservation efforts are applied at all stages of utilization, from utilization of energy resources to final, using efficient technology, and cultivating an energy-efficient lifestyle. The most common way is to promote energy efficiency in the industry on end use and overcome barriers to achieve such efficiency by using system energy optimization programs. The facts show that energy saving efforts in the process usually only focus on replacing tools and not an overall system improvement effort. In this research, a framework of sustainable energy reduction work in companies that have or have not implemented energy management system (EnMS) will be conducted a systematic technical approach in evaluating accurately a compressed-air system and potential optimization through observation, measurement and verification environmental conditions and processes, then processing the physical quantities of systems such as air flow, pressure and electrical power energy at any given time measured using comparative analysis methods in this industry, to provide the potential savings of energy saving is greater than the component approach, with no cost to the lowest cost (no cost - low cost). The process of evaluating energy utilization and energy saving opportunities will provide recommendations for increasing efficiency in the industry and reducing CO2 emissions and improving environmental quality.

Ground-state energies of simple metals

NASA Technical Reports Server (NTRS)

Hammerberg, J.; Ashcroft, N. W.

1974-01-01

A structural expansion for the static ground-state energy of a simple metal is derived. Two methods are presented, one an approach based on single-particle band structure which treats the electron gas as a nonlinear dielectric, the other a more general many-particle analysis using finite-temperature perturbation theory. The two methods are compared, and it is shown in detail how band-structure effects, Fermi-surface distortions, and chemical-potential shifts affect the total energy. These are of special interest in corrections to the total energy beyond third order in the electron-ion interaction and hence to systems where differences in energies for various crystal structures are exceptionally small. Preliminary calculations using these methods for the zero-temperature thermodynamic functions of atomic hydrogen are reported.

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.

Nanoemulsions prepared by a low-energy emulsification method applied to edible films

USDA-ARS?s Scientific Manuscript database

Catastrophic phase inversion (CPI) was used as a low-energy emulsification method to prepare oil-in-water (O/W) nanoemulsions in a lipid (Acetem)/water/nonionic surfactant (Tween 60) system. CPIs in which water-in-oil emulsions (W/O) are transformed into oil-in-water emulsions (O/W) were induced by ...

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

PubMed

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

2015-07-01

Structural information and activity data has increased rapidly for many protein targets during the last decades. In this paper, we present a high-throughput interface (Qgui) for automated free energy and empirical valence bond (EVB) calculations that use molecular dynamics (MD) simulations for conformational sampling. Applications to ligand binding using both the linear interaction energy (LIE) method and the free energy perturbation (FEP) technique are given using the estrogen receptor (ERα) as a model system. Examples of free energy profiles obtained using the EVB method for the rate-limiting step of the enzymatic reaction catalyzed by trypsin are also shown. In addition, we present calculation of high-precision Arrhenius plots to obtain the thermodynamic activation enthalpy and entropy with Qgui from running a large number of EVB simulations. Copyright © 2015 Elsevier Inc. All rights reserved.

Energy harvesting devices, systems, and related methods

DOEpatents

Kotter, Dale K.

2016-10-18

Energy harvesting devices include a substrate and a plurality of resonance elements coupled to the substrate. Each resonance element is configured to collect energy in the visible and infrared light spectra and to reradiate energy having a wavelength in the range of about 0.8 .mu.m to about 0.9 .mu.m. The resonance elements are arranged in groups of two or more resonance elements. Systems for harvesting electromagnetic radiation include a substrate, a plurality of resonance elements including a conductive material carried by the substrate, and a photovoltaic material coupled to the substrate and to at least one resonance element. The resonance elements are arranged in groups, such as in a dipole, a tripole, or a bowtie configuration. Methods for forming an energy harvesting device include forming groups of two or more discrete resonance elements in a substrate and coupling a photovoltaic material to the groups of discrete resonance elements.

Evaluation of Noninvasive Measurement Methods and Systems for Application in Vital Signs Detection. Part 1. Literature Review.

DTIC Science & Technology

1986-03-01

radiations from the body in the infrared spectrum of light energy provides a passive, noninvasive method of measuring and recording a subject’s relative... a minimum during each test. In transmission radiography, dosage (or dose rate) is a measure of the * energy of the applied radiation . X-ray energy is... a function of frequency (E *hi) and is expressed in electron volts

Calculating Free Energies Using Scaled-Force Molecular Dynamics Algorithm

NASA Technical Reports Server (NTRS)

Darve, Eric; Wilson, Micahel A.; Pohorille, Andrew

2000-01-01

One common objective of molecular simulations in chemistry and biology is to calculate the free energy difference between different states of the system of interest. Examples of problems that have such an objective are calculations of receptor-ligand or protein-drug interactions, associations of molecules in response to hydrophobic, and electrostatic interactions or partition of molecules between immiscible liquids. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), 'native' state. Perhaps the best example of such a problem is folding of proteins or short RNA molecules. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to 'quasi non-ergodicity', whereby a part of phase space is inaccessible on timescales of the simulation. A host of strategies has been developed to improve efficiency of sampling the phase space. For example, some Monte Carlo techniques involve large steps which move the system between low-energy regions in phase space without the need for sampling the configurations corresponding to energy barriers (J-walking). Most strategies, however, rely on modifying probabilities of sampling low and high-energy regions in phase space such that transitions between states of interest are encouraged. Perhaps the simplest implementation of this strategy is to increase the temperature of the system. This approach was successfully used to identify denaturation pathways in several proteins, but it is clearly not applicable to protein folding. It is also not a successful method for determining free energy differences. Finally, the approach is likely to fail for systems with co-existing phases, such as water-membrane systems, because it may lead to spontaneous mixing. A similar difficulty may be encountered in any method relying on global modifications of phase space.

Systems and methods for the magnetic insulation of accelerator electrodes in electrostatic accelerators

DOEpatents

Grisham, Larry R

2013-12-17

The present invention provides systems and methods for the magnetic insulation of accelerator electrodes in electrostatic accelerators. Advantageously, the systems and methods of the present invention improve the practically obtainable performance of these electrostatic accelerators by addressing, among other things, voltage holding problems and conditioning issues. The problems and issues are addressed by flowing electric currents along these accelerator electrodes to produce magnetic fields that envelope the accelerator electrodes and their support structures, so as to prevent very low energy electrons from leaving the surfaces of the accelerator electrodes and subsequently picking up energy from the surrounding electric field. In various applications, this magnetic insulation must only produce modest gains in voltage holding capability to represent a significant achievement.

Gamma ray spectroscopy employing divalent europium-doped alkaline earth halides and digital readout for accurate histogramming

DOEpatents

Cherepy, Nerine Jane; Payne, Stephen Anthony; Drury, Owen B; Sturm, Benjamin W

2014-11-11

A scintillator radiation detector system according to one embodiment includes a scintillator; and a processing device for processing pulse traces corresponding to light pulses from the scintillator, wherein pulse digitization is used to improve energy resolution of the system. A scintillator radiation detector system according to another embodiment includes a processing device for fitting digitized scintillation waveforms to an algorithm based on identifying rise and decay times and performing a direct integration of fit parameters. A method according to yet another embodiment includes processing pulse traces corresponding to light pulses from a scintillator, wherein pulse digitization is used to improve energy resolution of the system. A method in a further embodiment includes fitting digitized scintillation waveforms to an algorithm based on identifying rise and decay times; and performing a direct integration of fit parameters. Additional systems and methods are also presented.

A general intermolecular force field based on tight-binding quantum chemical calculations

NASA Astrophysics Data System (ADS)

Grimme, Stefan; Bannwarth, Christoph; Caldeweyher, Eike; Pisarek, Jana; Hansen, Andreas

2017-10-01

A black-box type procedure is presented for the generation of a molecule-specific, intermolecular potential energy function. The method uses quantum chemical (QC) information from our recently published extended tight-binding semi-empirical scheme (GFN-xTB) and can treat non-covalently bound complexes and aggregates with almost arbitrary chemical structure. The necessary QC information consists of the equilibrium structure, Mulliken atomic charges, charge centers of localized molecular orbitals, and also of frontier orbitals and orbital energies. The molecular pair potential includes model density dependent Pauli repulsion, penetration, as well as point charge electrostatics, the newly developed D4 dispersion energy model, Drude oscillators for polarization, and a charge-transfer term. Only one element-specific and about 20 global empirical parameters are needed to cover systems with nuclear charges up to radon (Z = 86). The method is tested for standard small molecule interaction energy benchmark sets where it provides accurate intermolecular energies and equilibrium distances. Examples for structures with a few hundred atoms including charged systems demonstrate the versatility of the approach. The method is implemented in a stand-alone computer code which enables rigid-body, global minimum energy searches for molecular aggregation or alignment.

Energy dissipation/transfer and stable attitude of spatial on-orbit tethered system

NASA Astrophysics Data System (ADS)

Hu, Weipeng; Song, Mingzhe; Deng, Zichen

2018-01-01

For the Tethered Satellite System, the coupling between the platform system and the solar panel is a challenge in the dynamic analysis. In this paper, the coupling dynamic behaviors of the Tethered Satellite System that is idealized as a planar flexible damping beam-spring-mass composite system are investigated via a structure-preserving method. Considering the coupling between the plane motion of the system, the oscillation of the spring and the transverse vibration of the beam, the dynamic model of the composite system is established based on the Hamiltonian variational principle. A symplectic dimensionality reduction method is proposed to decouple the dynamic system into two subsystems approximately. Employing the complex structure-preserving approach presented in our previous work, numerical iterations are performed between the two subsystems with weak damping to study the energy dissipation/transfer in the composite system, the effect of the spring stiffness on the energy distribution and the effect of the particle mass on the stability of the composite system. The numerical results show that: the energy transfer approach is uniquely determined by the initial attitude angle, while the energy dissipation speed is mainly depending on the initial attitude angle and the spring stiffness besides the weak damping. In addition, the mass ratio between the platform system and the solar panel determines the stable state as well as the time needed to reach the stable state of the composite system. The numerical approach presented in this paper provides a new way to deal with the coupling dynamic system and the conclusions obtained give some useful advices on the overall design of the Tethered Satellite System.

Comparison of cumulative dissipated energy between the Infiniti and Centurion phacoemulsification systems

PubMed Central

Chen, Ming; Anderson, Erik; Hill, Geoffrey; Chen, John J; Patrianakos, Thomas

2015-01-01

Purpose To compare cumulative dissipated energy between two phacoemulsification machines. Setting An ambulatory surgical center, Honolulu, Hawaii, USA. Design Retrospective chart review. Methods A total of 2,077 consecutive cases of cataract extraction by phacoemulsification performed by five surgeons from November 2012 to November 2014 were included in the study; 1,021 consecutive cases were performed using the Infiniti Vision System, followed by 1,056 consecutive cases performed using the Centurion Vision System. Results The Centurion phacoemulsification system required less energy to remove a cataractous lens with an adjusted average energy reduction of 38% (5.09 percent-seconds) (P<0.001) across all surgeons in comparison to the Infiniti phacoemulsification system. The reduction in cumulative dissipated energy was statistically significant for each surgeon, with a range of 29%–45% (2.25–12.54 percent-seconds) (P=0.005–<0.001). Cumulative dissipated energy for both the Infiniti and Centurion systems varied directly with patient age, increasing an average of 2.38 percent-seconds/10 years. Conclusion The Centurion phacoemulsification system required less energy to remove a cataractous lens in comparison to the Infiniti phacoemulsification system. PMID:26229430

Configurational entropy: an improvement of the quasiharmonic approximation using configurational temperature.

PubMed

Nguyen, Phuong H; Derreumaux, Philippe

2012-01-14

One challenge in computational biophysics and biology is to develop methodologies able to estimate accurately the configurational entropy of macromolecules. Among many methods, the quasiharmonic approximation (QH) is most widely used as it is simple in both theory and implementation. However, it has been shown that this method becomes inaccurate by overestimating entropy for systems with rugged free energy landscapes. Here, we propose a simple method to improve the QH approximation, i.e., to reduce QH entropy. We approximate the potential energy landscape of the system by an effective harmonic potential, and request that this potential must produce exactly the configurational temperature of the system. Due to this constraint, the force constants associated with the effective harmonic potential are increased, or equivalently, entropy of motion governed by this effective harmonic potential is reduced. We also introduce the effective configurational temperature concept which can be used as an indicator to check the anharmonicity of the free energy landscape. To validate the new method we compare it with the recently developed expansion approximate method by calculating entropy of one simple model system and two peptides with 3 and 16 amino acids either in gas phase or in explicit solvent. We show that the new method appears to be a good choice in practice as it is a compromise between accuracy and computational speed. A modification of the expansion approximate method is also introduced and advantages are discussed in some detail.

Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg

2016-02-01

We present a numerical method for multiphase chemical equilibrium calculations based on a Gibbs energy minimization approach. The method can accurately and efficiently determine the stable phase assemblage at equilibrium independently of the type of phases and species that constitute the chemical system. We have successfully applied our chemical equilibrium algorithm in reactive transport simulations to demonstrate its effective use in computationally intensive applications. We used FEniCS to solve the governing partial differential equations of mass transport in porous media using finite element methods in unstructured meshes. Our equilibrium calculations were benchmarked with GEMS3K, the numerical kernel of the geochemical package GEMS. This allowed us to compare our results with a well-established Gibbs energy minimization algorithm, as well as their performance on every mesh node, at every time step of the transport simulation. The benchmark shows that our novel chemical equilibrium algorithm is accurate, robust, and efficient for reactive transport applications, and it is an improvement over the Gibbs energy minimization algorithm used in GEMS3K. The proposed chemical equilibrium method has been implemented in Reaktoro, a unified framework for modeling chemically reactive systems, which is now used as an alternative numerical kernel of GEMS.

Addition and Removal Energies via the In-Medium Similarity Renormalization Group Method

NASA Astrophysics Data System (ADS)

Yuan, Fei

The in-medium similarity renormalization group (IM-SRG) is an ab initio many-body method suitable for systems with moderate numbers of particles due to its polynomial scaling in computational cost. The formalism is highly flexible and admits a variety of modifications that extend its utility beyond the original goal of computing ground state energies of closed-shell systems. In this work, we present an extension of IM-SRG through quasidegenerate perturbation theory (QDPT) to compute addition and removal energies (single particle energies) near the Fermi level at low computational cost. This expands the range of systems that can be studied from closed-shell ones to nearby systems that differ by one particle. The method is applied to circular quantum dot systems and nuclei, and compared against other methods including equations-of-motion (EOM) IM-SRG and EOM coupled-cluster (CC) theory. The results are in good agreement for most cases. As part of this work, we present an open-source implementation of our flexible and easy-to-use J-scheme framework as well as the HF, IM-SRG, and QDPT codes built upon this framework. We include an overview of the overall structure, the implementation details, and strategies for maintaining high code quality and efficiency. Lastly, we also present a graphical application for manipulation of angular momentum coupling coefficients through a diagrammatic notation for angular momenta (Jucys diagrams). The tool enables rapid derivations of equations involving angular momentum coupling--such as in J-scheme--and significantly reduces the risk of human errors.

Scheduled power tracking control of the wind-storage hybrid system based on the reinforcement learning theory

NASA Astrophysics Data System (ADS)

Li, Ze

2017-09-01

In allusion to the intermittency and uncertainty of the wind electricity, energy storage and wind generator are combined into a hybrid system to improve the controllability of the output power. A scheduled power tracking control method is proposed based on the reinforcement learning theory and Q-learning algorithm. In this method, the state space of the environment is formed with two key factors, i.e. the state of charge of the energy storage and the difference value between the actual wind power and scheduled power, the feasible action is the output power of the energy storage, and the corresponding immediate rewarding function is designed to reflect the rationality of the control action. By interacting with the environment and learning from the immediate reward, the optimal control strategy is gradually formed. After that, it could be applied to the scheduled power tracking control of the hybrid system. Finally, the rationality and validity of the method are verified through simulation examples.

Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field.

PubMed

Bell, David R; Qi, Rui; Jing, Zhifeng; Xiang, Jin Yu; Mejias, Christopher; Schnieders, Michael J; Ponder, Jay W; Ren, Pengyu

2016-11-09

Molecular recognition is of paramount interest in many applications. Here we investigate a series of host-guest systems previously used in the SAMPL4 blind challenge by using molecular simulations and the AMOEBA polarizable force field. The free energy results computed by Bennett's acceptance ratio (BAR) method using the AMOEBA polarizable force field ranked favorably among the entries submitted to the SAMPL4 host-guest competition [Muddana, et al., J. Comput.-Aided Mol. Des., 2014, 28, 305-317]. In this work we conduct an in-depth analysis of the AMOEBA force field host-guest binding thermodynamics by using both BAR and the orthogonal space random walk (OSRW) methods. The binding entropy-enthalpy contributions are analyzed for each host-guest system. For systems of inordinate binding entropy-enthalpy values, we further examine the hydrogen bonding patterns and configurational entropy contribution. The binding mechanism of this series of host-guest systems varies from ligand to ligand, driven by enthalpy and/or entropy changes. Convergence of BAR and OSRW binding free energy methods is discussed. Ultimately, this work illustrates the value of molecular modelling and advanced force fields for the exploration and interpretation of binding thermodynamics.

Research on speed control of secondary regulation lifting system of parking equipment

NASA Astrophysics Data System (ADS)

Zang, Faye

2005-12-01

Hydrostatic transmission with secondary regulation is a new kind of hydrostatic transmission that can regenerate inertial and gravitational energy of load. On the basis of an in-depth analysis of the working principles and energy-saving mechanisms of the parking equipment lifting systems with, secondary regulating technology, this paper proposes a method of regenerating a lifting system's inertial energy by controlling rotational speed and reclaiming the gravitational energy by use of a constant rotational speed. Considering large changes of the parameters of lifting systems and then non-linearity, a fuzzy control was adopted to control the lifting system, and a mathematical model of the system was established. By simulation and experiment of the lifting system, the conclusion was reached a lifting system's braking achieved by controlling rotational speed is reliable and stable at a definite speed. It also permits changing the efficiency of recovery by changing the rotational speed. The design power of the lifting system can be chosen in terms of the system's average power, so the system's power can be reduced and energy savings achieved.

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations.

PubMed

Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B; Jain, Abhinandan; Vaidehi, Nagarajan

2016-01-28

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential energy distortions encountered in constrained ICMD simulations of peptide molecules.

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B.; Jain, Abhinandan; Vaidehi, Nagarajan

2016-01-01

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential energy distortions encountered in constrained ICMD simulations of peptide molecules.

Chapter 23: Combined Heat and Power 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.; Simons, George; Barsun, Stephan

The main focus of most evaluations is to determine the energy-savings impacts of the installed measure. This protocol defines a combined heat and power (CHP) measure as a system that sequentially generates both electrical energy and useful thermal energy from one fuel source at a host customer's facility or residence. This protocol is aimed primarily at regulators and administrators of ratepayer-funded CHP programs; however, project developers may find the protocol useful to understand how CHP projects are evaluated.

Bond Graph Modeling and Validation of an Energy Regenerative System for Emulsion Pump Tests

PubMed Central

Li, Yilei; Zhu, Zhencai; Chen, Guoan

2014-01-01

The test system for emulsion pump is facing serious challenges due to its huge energy consumption and waste nowadays. To settle this energy issue, a novel energy regenerative system (ERS) for emulsion pump tests is briefly introduced at first. Modeling such an ERS of multienergy domains needs a unified and systematic approach. Bond graph modeling is well suited for this task. The bond graph model of this ERS is developed by first considering the separate components before assembling them together and so is the state-space equation. Both numerical simulation and experiments are carried out to validate the bond graph model of this ERS. Moreover the simulation and experiments results show that this ERS not only satisfies the test requirements, but also could save at least 25% of energy consumption as compared to the original test system, demonstrating that it is a promising method of energy regeneration for emulsion pump tests. PMID:24967428

Energy-Discriminative Performance of a Spectral Micro-CT System

PubMed Central

He, Peng; Yu, Hengyong; Bennett, James; Ronaldson, Paul; Zainon, Rafidah; Butler, Anthony; Butler, Phil; Wei, Biao; Wang, Ge

2013-01-01

Experiments were performed to evaluate the energy-discriminative performance of a spectral (multi-energy) micro-CT system. The system, designed by MARS (Medipix All Resolution System) Bio-Imaging Ltd. (Christchurch, New Zealand), employs a photon-counting energy-discriminative detector technology developed by CERN (European Organization for Nuclear Research). We used the K-edge attenuation characteristic of some known materials to calibrate the detector’s photon energy discrimination. For tomographic analysis, we used the compressed sensing (CS) based ordered-subset simultaneous algebraic reconstruction techniques (OS-SART) to reconstruct sample images, which is effective to reduce noise and suppress artifacts. Unlike conventional CT, the principal component analysis (PCA) method can be applied to extract and quantify additional attenuation information from a spectral CT dataset. Our results show that the spectral CT has a good energy-discriminative performance and provides more attenuation information than the conventional CT. PMID:24004864

A benchmark for reaction coordinates in the transition path ensemble

PubMed Central

2016-01-01

The molecular mechanism of a reaction is embedded in its transition path ensemble, the complete collection of reactive trajectories. Utilizing the information in the transition path ensemble alone, we developed a novel metric, which we termed the emergent potential energy, for distinguishing reaction coordinates from the bath modes. The emergent potential energy can be understood as the average energy cost for making a displacement of a coordinate in the transition path ensemble. Where displacing a bath mode invokes essentially no cost, it costs significantly to move the reaction coordinate. Based on some general assumptions of the behaviors of reaction and bath coordinates in the transition path ensemble, we proved theoretically with statistical mechanics that the emergent potential energy could serve as a benchmark of reaction coordinates and demonstrated its effectiveness by applying it to a prototypical system of biomolecular dynamics. Using the emergent potential energy as guidance, we developed a committor-free and intuition-independent method for identifying reaction coordinates in complex systems. We expect this method to be applicable to a wide range of reaction processes in complex biomolecular systems. PMID:27059559