Event Centroiding Applied to Energy-Resolved Neutron Imaging at LANSCE

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

Borges, Nicholas; Losko, Adrian; Vogel, Sven

The energy-dependence of the neutron cross section provides vastly different contrast mechanisms than polychromatic neutron radiography if neutron energies can be selected for imaging applications. In recent years, energy-resolved neutron imaging (ERNI) with epi-thermal neutrons, utilizing neutron absorption resonances for contrast as well as for quantitative density measurements, was pioneered at the Flight Path 5 beam line at LANSCE and continues to be refined. In this work, we present event centroiding, i.e., the determination of the center-of-gravity of a detection event on an imaging detector to allow sub-pixel spatial resolution and apply it to the many frames collected for energy-resolvedmore » neutron imaging at a pulsed neutron source. While event centroiding was demonstrated at thermal neutron sources, it has not been applied to energy-resolved neutron imaging, where the energy resolution requires to be preserved, and we present a quantification of the possible resolution as a function of neutron energy. For the 55 μm pixel size of the detector used for this study, we found a resolution improvement from ~80 μm to ~22 μm using pixel centroiding while fully preserving the energy resolution.« less

Truncation-based energy weighting string method for efficiently resolving small energy barriers

NASA Astrophysics Data System (ADS)

Carilli, Michael F.; Delaney, Kris T.; Fredrickson, Glenn H.

2015-08-01

The string method is a useful numerical technique for resolving minimum energy paths in rare-event barrier-crossing problems. However, when applied to systems with relatively small energy barriers, the string method becomes inconvenient since many images trace out physically uninteresting regions where the barrier has already been crossed and recrossing is unlikely. Energy weighting alleviates this difficulty to an extent, but typical implementations still require the string's endpoints to evolve to stable states that may be far from the barrier, and deciding upon a suitable energy weighting scheme can be an iterative process dependent on both the application and the number of images used. A second difficulty arises when treating nucleation problems: for later images along the string, the nucleus grows to fill the computational domain. These later images are unphysical due to confinement effects and must be discarded. In both cases, computational resources associated with unphysical or uninteresting images are wasted. We present a new energy weighting scheme that eliminates all of the above difficulties by actively truncating the string as it evolves and forcing all images, including the endpoints, to remain within and cover uniformly a desired barrier region. The calculation can proceed in one step without iterating on strategy, requiring only an estimate of an energy value below which images become uninteresting.

Reflections on Mixing Methods in Applied Linguistics Research

ERIC Educational Resources Information Center

Hashemi, Mohammad R.

2012-01-01

This commentary advocates the use of mixed methods research--that is the integration of qualitative and quantitative methods in a single study--in applied linguistics. Based on preliminary findings from a research project in progress, some reflections on the current practice of mixing methods as a new trend in applied linguistics are put forward.…

Free energy calculations: an efficient adaptive biasing potential method.

PubMed

Dickson, Bradley M; Legoll, Frédéric; Lelièvre, Tony; Stoltz, Gabriel; Fleurat-Lessard, Paul

2010-05-06

We develop an efficient sampling and free energy calculation technique within the adaptive biasing potential (ABP) framework. By mollifying the density of states we obtain an approximate free energy and an adaptive bias potential that is computed directly from the population along the coordinates of the free energy. Because of the mollifier, the bias potential is "nonlocal", and its gradient admits a simple analytic expression. A single observation of the reaction coordinate can thus be used to update the approximate free energy at every point within a neighborhood of the observation. This greatly reduces the equilibration time of the adaptive bias potential. This approximation introduces two parameters: strength of mollification and the zero of energy of the bias potential. While we observe that the approximate free energy is a very good estimate of the actual free energy for a large range of mollification strength, we demonstrate that the errors associated with the mollification may be removed via deconvolution. The zero of energy of the bias potential, which is easy to choose, influences the speed of convergence but not the limiting accuracy. This method is simple to apply to free energy or mean force computation in multiple dimensions and does not involve second derivatives of the reaction coordinates, matrix manipulations nor on-the-fly adaptation of parameters. For the alanine dipeptide test case, the new method is found to gain as much as a factor of 10 in efficiency as compared to two basic implementations of the adaptive biasing force methods, and it is shown to be as efficient as well-tempered metadynamics with the postprocess deconvolution giving a clear advantage to the mollified density of states method.

Matched-filtering line search methods applied to Suzaku data

NASA Astrophysics Data System (ADS)

Miyazaki, Naoto; Yamada, Shin'ya; Enoto, Teruaki; Axelsson, Magnus; Ohashi, Takaya

2016-12-01

A detailed search for emission and absorption lines and an assessment of their upper limits are performed for Suzaku data. The method utilizes a matched-filtering approach to maximize the signal-to-noise ratio for a given energy resolution, which could be applicable to many types of line search. We first applied it to well-known active galactic nuclei spectra that have been reported to have ultra-fast outflows, and find that our results are consistent with previous findings at the ˜3σ level. We proceeded to search for emission and absorption features in two bright magnetars 4U 0142+61 and 1RXS J1708-4009, applying the filtering method to Suzaku data. We found that neither source showed any significant indication of line features, even using long-term Suzaku observations or dividing their spectra into spin phases. The upper limits on the equivalent width of emission/absorption lines are constrained to be a few eV at ˜1 keV and a few hundreds of eV at ˜10 keV. This strengthens previous reports that persistently bright magnetars do not show proton cyclotron absorption features in soft X-rays and, even if they exist, they would be broadened or much weaker than below the detection limit of X-ray CCD.

University of Kentucky Center for Applied Energy Research

Science.gov Websites

University of Kentucky Center for Applied Energy Research Search Help Research Our Expertise Remediation Power Generation CAER TechFacts CAER Factsheets CAER Affiliations Research Contacts Publications People Directory Research Staff Profiles Expertise at CAER Directors/Administration Engagement/Outreach

Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization Energies.

PubMed

Hansen, Katja; Montavon, Grégoire; Biegler, Franziska; Fazli, Siamac; Rupp, Matthias; Scheffler, Matthias; von Lilienfeld, O Anatole; Tkatchenko, Alexandre; Müller, Klaus-Robert

2013-08-13

The accurate and reliable prediction of properties of molecules typically requires computationally intensive quantum-chemical calculations. Recently, machine learning techniques applied to ab initio calculations have been proposed as an efficient approach for describing the energies of molecules in their given ground-state structure throughout chemical compound space (Rupp et al. Phys. Rev. Lett. 2012, 108, 058301). In this paper we outline a number of established machine learning techniques and investigate the influence of the molecular representation on the methods performance. The best methods achieve prediction errors of 3 kcal/mol for the atomization energies of a wide variety of molecules. Rationales for this performance improvement are given together with pitfalls and challenges when applying machine learning approaches to the prediction of quantum-mechanical observables.

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

[Montessori method applied to dementia - literature review].

PubMed

Brandão, Daniela Filipa Soares; Martín, José Ignacio

2012-06-01

The Montessori method was initially applied to children, but now it has also been applied to people with dementia. The purpose of this study is to systematically review the research on the effectiveness of this method using Medical Literature Analysis and Retrieval System Online (Medline) with the keywords dementia and Montessori method. We selected lo studies, in which there were significant improvements in participation and constructive engagement, and reduction of negative affects and passive engagement. Nevertheless, systematic reviews about this non-pharmacological intervention in dementia rate this method as weak in terms of effectiveness. This apparent discrepancy can be explained because the Montessori method may have, in fact, a small influence on dimensions such as behavioral problems, or because there is no research about this method with high levels of control, such as the presence of several control groups or a double-blind study.

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.

Analytical Energy Gradients for Excited-State Coupled-Cluster Methods

NASA Astrophysics Data System (ADS)

Wladyslawski, Mark; Nooijen, Marcel

The equation-of-motion coupled-cluster (EOM-CC) and similarity transformed equation-of-motion coupled-cluster (STEOM-CC) methods have been firmly established as accurate and routinely applicable extensions of single-reference coupled-cluster theory to describe electronically excited states. An overview of these methods is provided, with emphasis on the many-body similarity transform concept that is the key to a rationalization of their accuracy. The main topic of the paper is the derivation of analytical energy gradients for such non-variational electronic structure approaches, with an ultimate focus on obtaining their detailed algebraic working equations. A general theoretical framework using Lagrange's method of undetermined multipliers is presented, and the method is applied to formulate the EOM-CC and STEOM-CC gradients in abstract operator terms, following the previous work in [P.G. Szalay, Int. J. Quantum Chem. 55 (1995) 151] and [S.R. Gwaltney, R.J. Bartlett, M. Nooijen, J. Chem. Phys. 111 (1999) 58]. Moreover, the systematics of the Lagrange multiplier approach is suitable for automation by computer, enabling the derivation of the detailed derivative equations through a standardized and direct procedure. To this end, we have developed the SMART (Symbolic Manipulation and Regrouping of Tensors) package of automated symbolic algebra routines, written in the Mathematica programming language. The SMART toolkit provides the means to expand, differentiate, and simplify equations by manipulation of the detailed algebraic tensor expressions directly. The Lagrangian multiplier formulation establishes a uniform strategy to perform the automated derivation in a standardized manner: A Lagrange multiplier functional is constructed from the explicit algebraic equations that define the energy in the electronic method; the energy functional is then made fully variational with respect to all of its parameters, and the symbolic differentiations directly yield the explicit

Transient Stability Output Margin Estimation Based on Energy Function Method

NASA Astrophysics Data System (ADS)

Miwa, Natsuki; Tanaka, Kazuyuki

In this paper, a new method of estimating critical generation margin (CGM) in power systems is proposed from the viewpoint of transient stability diagnostic. The proposed method has the capability to directly compute the stability limit output for a given contingency based on transient energy function method (TEF). Since CGM can be directly obtained by the limit output using estimated P-θ curves and is easy to understand, it is more useful rather than conventional critical clearing time (CCT) of energy function method. The proposed method can also estimate CGM as its negative value that means unstable in present load profile, then negative CGM can be directly utilized as generator output restriction. The proposed method is verified its accuracy and fast solution ability by applying to simple 3-machine model and IEEJ EAST10-machine standard model. Furthermore the useful application to severity ranking of transient stability for a lot of contingency cases is discussed by using CGM.

The averaging method in applied problems

NASA Astrophysics Data System (ADS)

Grebenikov, E. A.

1986-04-01

The totality of methods, allowing to research complicated non-linear oscillating systems, named in the literature "averaging method" has been given. THe author is describing the constructive part of this method, or a concrete form and corresponding algorithms, on mathematical models, sufficiently general , but built on concrete problems. The style of the book is that the reader interested in the Technics and algorithms of the asymptotic theory of the ordinary differential equations, could solve individually such problems. For specialists in the area of applied mathematics and mechanics.

Method and apparatus for in-situ characterization of energy storage and energy conversion devices

DOEpatents

Christophersen, Jon P [Idaho Falls, ID; Motloch, Chester G [Idaho Falls, ID; Morrison, John L [Butte, MT; Albrecht, Weston [Layton, UT

2010-03-09

Disclosed are methods and apparatuses for determining an impedance of an energy-output device using a random noise stimulus applied to the energy-output device. A random noise signal is generated and converted to a random noise stimulus as a current source correlated to the random noise signal. A bias-reduced response of the energy-output device to the random noise stimulus is generated by comparing a voltage at the energy-output device terminal to an average voltage signal. The random noise stimulus and bias-reduced response may be periodically sampled to generate a time-varying current stimulus and a time-varying voltage response, which may be correlated to generate an autocorrelated stimulus, an autocorrelated response, and a cross-correlated response. Finally, the autocorrelated stimulus, the autocorrelated response, and the cross-correlated response may be combined to determine at least one of impedance amplitude, impedance phase, and complex impedance.

Scalable Methods for Eulerian-Lagrangian Simulation Applied to Compressible Multiphase Flows

NASA Astrophysics Data System (ADS)

Zwick, David; Hackl, Jason; Balachandar, S.

2017-11-01

Multiphase flows can be found in countless areas of physics and engineering. Many of these flows can be classified as dispersed two-phase flows, meaning that there are solid particles dispersed in a continuous fluid phase. A common technique for simulating such flow is the Eulerian-Lagrangian method. While useful, this method can suffer from scaling issues on larger problem sizes that are typical of many realistic geometries. Here we present scalable techniques for Eulerian-Lagrangian simulations and apply it to the simulation of a particle bed subjected to expansion waves in a shock tube. The results show that the methods presented here are viable for simulation of larger problems on modern supercomputers. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. DGE-1315138. This work was supported in part by the U.S. Department of Energy under Contract No. DE-NA0002378.

METHOD OF APPLYING METALLIC COATINGS

DOEpatents

Robinson, J.W.; Eubank, L.D.

1961-08-01

A method for applying a protective coating to a uranium rod is described. The steps include preheating the unanium rod to the coating temperature, placement of the rod between two rotating rollers, pouring a coating metal such as aluminum-silicon in molten form between one of the rotating rollers and the uranium rod, and rotating the rollers continually until the coating is built up to the desired thickness. (AEC)

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...

Instrumentation for measuring lake and reservoir evaporation by the energy-budget and mass-transfer methods

USGS Publications Warehouse

Sturrock, A.M.

1985-01-01

Instrumentation currently used by the U.S. Geological Survey in studies of lake and reservoir evaporation is described in this paper. This instrumentation is used for the measurement of solar and terrestrial energy necessary to apply the mass-transfer or energy budget methods. The energy budget requires a quantative determination of all form of energy entering or leaving the lake as well as determination of the change in storage of energy within the lake. (USGS)

Applying Vertically Aligned Carbon Nanotubes in Energy Harvesting and Energy Storage

NASA Astrophysics Data System (ADS)

Oguntoye, Moses

This work has been a scientific inquisition into the potential of carbon nanotubes, fabricated in a vertically aligned configuration, for their application to solving pressing energy problems. This dissertation is introduced by providing a background to energy storage and generation as well as the various major equipment and techniques used throughout the scientific inquisition. The generic method of vertically aligned carbon nanotubes (VACNT) growth is then presented. By using a combination of recipes previously described in literature, an easy to replicate method of growing carbon nanotubes is developed with demonstrated success on different substates. The different conditions required to facilitate efficiency in the VACNT growth are highlighted. The properties of the as-grown VACNT forest are also studied and presented. Based on the recipe used, the VACNT are categorized as multiwalled and the number of walls is confirmed to be about 15 walls using transmission electron microscopy (TEM). Their graphitic nature is confirmed using thermogravimetric analysis (TGA). The surface area characterization is done using the Brunauer-Emmett-Teller (BET) method and weight-gain method. The first part of this dissertation deals with the application of the VACNT electrodes fabricated for the harvesting of mechanical energy using the triboelectric nanogenerator (TENG) technology. Here, energy is harvested from mechanical systems using both polytetrafluoroethylene (PTFE) and polyethylene (PET) counter electrodes to confirm the applicability of VACNT electrodes for this purpose. A mechanism for the electron motion is proposed based on the already identified dielectric-metal TENG pairing. Furthermore, the usefulness of this technology is demonstrated further by charging a 0.47microF capacitor to 4.5V in one minute using the VACNT-PTFE TENG. The second part of this dissertation deals with the application of VACNT electrodes in energy storage using supercapacitors. Firstly, the

Electronic-projecting Moire method applying CBR-technology

NASA Astrophysics Data System (ADS)

Kuzyakov, O. N.; Lapteva, U. V.; Andreeva, M. A.

2018-01-01

Electronic-projecting method based on Moire effect for examining surface topology is suggested. Conditions of forming Moire fringes and their parameters’ dependence on reference parameters of object and virtual grids are analyzed. Control system structure and decision-making subsystem are elaborated. Subsystem execution includes CBR-technology, based on applying case base. The approach related to analysing and forming decision for each separate local area with consequent formation of common topology map is applied.

Innovative methods of energy transfer.

PubMed

McBee, L E

1996-09-01

Energy is utilized in many forms for processing egg products and other foods. Energy in the form of heat has commonly been used to kill microorganisms and pasteurize eggs. Transfer of energy by convection and conduction is limited by the properties of the egg product. Energy transfer by radiation is being used to advantage in the development of innovative methods to kill or inactivate microorganisms. A review of the electromagnetic spectrum reveals underutilized forms of energy with unique properties. Specific frequencies and method of application are selected for their ability to focus energy toward the destruction of microorganisms and the production of safe food products for the public.

Building "Applied Linguistic Historiography": Rationale, Scope, and Methods

ERIC Educational Resources Information Center

Smith, Richard

2016-01-01

In this article I argue for the establishment of "Applied Linguistic Historiography" (ALH), that is, a new domain of enquiry within applied linguistics involving a rigorous, scholarly, and self-reflexive approach to historical research. Considering issues of rationale, scope, and methods in turn, I provide reasons why ALH is needed and…

Waste-to-energy: A review of life cycle assessment and its extension methods.

PubMed

Zhou, Zhaozhi; Tang, Yuanjun; Chi, Yong; Ni, Mingjiang; Buekens, Alfons

2018-01-01

This article proposes a comprehensive review of evaluation tools based on life cycle thinking, as applied to waste-to-energy. Habitually, life cycle assessment is adopted to assess environmental burdens associated with waste-to-energy initiatives. Based on this framework, several extension methods have been developed to focus on specific aspects: Exergetic life cycle assessment for reducing resource depletion, life cycle costing for evaluating its economic burden, and social life cycle assessment for recording its social impacts. Additionally, the environment-energy-economy model integrates both life cycle assessment and life cycle costing methods and judges simultaneously these three features for sustainable waste-to-energy conversion. Life cycle assessment is sufficiently developed on waste-to-energy with concrete data inventory and sensitivity analysis, although the data and model uncertainty are unavoidable. Compared with life cycle assessment, only a few evaluations are conducted to waste-to-energy techniques by using extension methods and its methodology and application need to be further developed. Finally, this article succinctly summarises some recommendations for further research.

Application of the discrete generalized multigroup method to ultra-fine energy mesh in infinite medium calculations

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

Gibson, N. A.; Forget, B.

2012-07-01

The Discrete Generalized Multigroup (DGM) method uses discrete Legendre orthogonal polynomials to expand the energy dependence of the multigroup neutron transport equation. This allows a solution on a fine energy mesh to be approximated for a cost comparable to a solution on a coarse energy mesh. The DGM method is applied to an ultra-fine energy mesh (14,767 groups) to avoid using self-shielding methodologies without introducing the cost usually associated with such energy discretization. Results show DGM to converge to the reference ultra-fine solution after a small number of recondensation steps for multiple infinite medium compositions. (authors)

STOCK Mechanics:. a General Theory and Method of Energy Conservation with Applications on Djia

NASA Astrophysics Data System (ADS)

Tuncay, Çağlar

A new method, based on the original theory of conservation of sum of kinetic and potential energy defined for prices is proposed and applied on the Dow Jones Industrials Average (DJIA). The general trends averaged over months or years gave a roughly conserved total energy, with three different potential energies, i.e., positive definite quadratic, negative definite quadratic and linear potential energy for exponential rises (and falls), sinusoidal oscillations and parabolic trajectories, respectively. Corresponding expressions for force (impact) are also given.

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.

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.

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.

Single-Case Designs and Qualitative Methods: Applying a Mixed Methods Research Perspective

ERIC Educational Resources Information Center

Hitchcock, John H.; Nastasi, Bonnie K.; Summerville, Meredith

2010-01-01

The purpose of this conceptual paper is to describe a design that mixes single-case (sometimes referred to as single-subject) and qualitative methods, hereafter referred to as a single-case mixed methods design (SCD-MM). Minimal attention has been given to the topic of applying qualitative methods to SCD work in the literature. These two…

Development of a quantum mechanics-based free-energy perturbation method: use in the calculation of relative solvation free energies.

PubMed

Reddy, M Rami; Singh, U C; Erion, Mark D

2004-05-26

Free-energy perturbation (FEP) is considered the most accurate computational method for calculating relative solvation and binding free-energy differences. Despite some success in applying FEP methods to both drug design and lead optimization, FEP calculations are rarely used in the pharmaceutical industry. One factor limiting the use of FEP is its low throughput, which is attributed in part to the dependence of conventional methods on the user's ability to develop accurate molecular mechanics (MM) force field parameters for individual drug candidates and the time required to complete the process. In an attempt to find an FEP method that could eventually be automated, we developed a method that uses quantum mechanics (QM) for treating the solute, MM for treating the solute surroundings, and the FEP method for computing free-energy differences. The thread technique was used in all transformations and proved to be essential for the successful completion of the calculations. Relative solvation free energies for 10 structurally diverse molecular pairs were calculated, and the results were in close agreement with both the calculated results generated by conventional FEP methods and the experimentally derived values. While considerably more CPU demanding than conventional FEP methods, this method (QM/MM-based FEP) alleviates the need for development of molecule-specific MM force field parameters and therefore may enable future automation of FEP-based calculations. Moreover, calculation accuracy should be improved over conventional methods, especially for calculations reliant on MM parameters derived in the absence of experimental data.

The Water-Energy-Food Nexus: Advancing Innovative, Policy-Relevant Methods

NASA Astrophysics Data System (ADS)

Crootof, A.; Albrecht, T.; Scott, C. A.

2017-12-01

The water-energy-food (WEF) nexus is rapidly expanding in scholarly literature and policy settings as a novel way to address complex Anthropocene challenges. The nexus approach aims to identify tradeoffs and synergies of water, energy, and food systems, internalize social and environmental impacts, and guide development of cross-sectoral policies. However, a primary limitation of the nexus approach is the absence - or gaps and inconsistent use - of adequate methods to advance an innovative and policy-relevant nexus approach. This paper presents an analytical framework to identify robust nexus methods that align with nexus thinking and highlights innovative nexus methods at the frontier. The current state of nexus methods was assessed with a systematic review of 245 journal articles and book chapters. This review revealed (a) use of specific and reproducible methods for nexus assessment is uncommon - less than one-third of the reviewed studies present explicit methods; (b) nexus methods frequently fall short of capturing interactions among water, energy, and food - the very concept they purport to address; (c) assessments strongly favor quantitative approaches - 70% use primarily quantitative tools; (d) use of social science methods is limited (26%); and (e) many nexus methods are confined to disciplinary silos - only about one-quarter combine methods from diverse disciplines and less than one-fifth utilize both quantitative and qualitative approaches. Despite some pitfalls of current nexus methods, there are a host of studies that offer innovative approaches to help quantify nexus linkages and interactions among sectors, conceptualize dynamic feedbacks, and support mixed method approaches to better understand WEF systems. Applying our analytical framework to all 245 studies, we identify, and analyze herein, seventeen studies that implement innovative multi-method and cross-scalar tools to demonstrate promising advances toward improved nexus assessment. This paper

Three essays on energy and environmental economics: Empirical, applied, and theoretical

NASA Astrophysics Data System (ADS)

Karney, Daniel Houghton

Energy and environmental economics are closely related fields as nearly all forms of energy production generate pollution and thus nearly all forms of environmental policy affect energy production and consumption. The three essays in this dissertation are related by their common themes of energy and environmental economics, but they differ in their methodologies. The first chapter is an empirical exercise that looks that the relationship between electricity price deregulation and maintenance outages at nuclear power plants. The second chapter is an applied theory paper that investigates environmental regulation in a multiple pollutants setting. The third chapter develops a new methodology regarding the construction of analytical general equilibrium models that can be used to study topics in energy and environmental economics.

Renewable energy delivery systems and methods

DOEpatents

Walker, Howard Andrew

2013-12-10

A system, method and/or apparatus for the delivery of energy at a site, at least a portion of the energy being delivered by at least one or more of a plurality of renewable energy technologies, the system and method including calculating the load required by the site for the period; calculating the amount of renewable energy for the period, including obtaining a capacity and a percentage of the period for the renewable energy to be delivered; comparing the total load to the renewable energy available; and, implementing one or both of additional and alternative renewable energy sources for delivery of energy to the site.

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

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.

Aircraft operability methods applied to space launch vehicles

NASA Astrophysics Data System (ADS)

Young, Douglas

1997-01-01

The commercial space launch market requirement for low vehicle operations costs necessitates the application of methods and technologies developed and proven for complex aircraft systems. The ``building in'' of reliability and maintainability, which is applied extensively in the aircraft industry, has yet to be applied to the maximum extent possible on launch vehicles. Use of vehicle system and structural health monitoring, automated ground systems and diagnostic design methods derived from aircraft applications support the goal of achieving low cost launch vehicle operations. Transforming these operability techniques to space applications where diagnostic effectiveness has significantly different metrics is critical to the success of future launch systems. These concepts will be discussed with reference to broad launch vehicle applicability. Lessons learned and techniques used in the adaptation of these methods will be outlined drawing from recent aircraft programs and implementation on phase 1 of the X-33/RLV technology development program.

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.

The crowding factor method applied to parafoveal vision

PubMed Central

Ghahghaei, Saeideh; Walker, Laura

2016-01-01

Crowding increases with eccentricity and is most readily observed in the periphery. During natural, active vision, however, central vision plays an important role. Measures of critical distance to estimate crowding are difficult in central vision, as these distances are small. Any overlap of flankers with the target may create an overlay masking confound. The crowding factor method avoids this issue by simultaneously modulating target size and flanker distance and using a ratio to compare crowded to uncrowded conditions. This method was developed and applied in the periphery (Petrov & Meleshkevich, 2011b). In this work, we apply the method to characterize crowding in parafoveal vision (<3.5 visual degrees) with spatial uncertainty. We find that eccentricity and hemifield have less impact on crowding than in the periphery, yet radial/tangential asymmetries are clearly preserved. There are considerable idiosyncratic differences observed between participants. The crowding factor method provides a powerful tool for examining crowding in central and peripheral vision, which will be useful in future studies that seek to understand visual processing under natural, active viewing conditions. PMID:27690170

10 CFR 429.70 - Alternative methods for determining energy efficiency or energy use.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Alternative methods for determining energy efficiency or energy use. 429.70 Section 429.70 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION CERTIFICATION....70 Alternative methods for determining energy efficiency or energy use. (a) General. A manufacturer...

10 CFR 429.70 - Alternative methods for determining energy efficiency or energy use.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Alternative methods for determining energy efficiency or energy use. 429.70 Section 429.70 Energy DEPARTMENT OF ENERGY ENERGY CONSERVATION CERTIFICATION....70 Alternative methods for determining energy efficiency or energy use. Link to an amendment...

Method for computing energy release rate using the elastic work factor approach

NASA Astrophysics Data System (ADS)

Rhee, K. Y.; Ernst, H. A.

1992-01-01

The elastic work factor eta(el) concept was applied to composite structures for the calculation of total energy release rate by using a single specimen. Cracked lap shear specimens with four different unidirectional fiber orientation were used to examine the dependence of eta(el) on the material properties. Also, three different thickness ratios (lap/strap) were used to determine how geometric conditions affect eta(el). The eta(el) values were calculated in two different ways: compliance method and crack closure method. The results show that the two methods produce comparable eta(el) values and, while eta(el) is affected significantly by geometric conditions, it is reasonably independent of material properties for the given geometry. The results also showed that the elastic work factor can be used to calculate total energy release rate using a single specimen.

Method for obtaining electron energy-density functions from Langmuir-probe data using a card-programmable calculator

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

Longhurst, G.R.

This paper presents a method for obtaining electron energy density functions from Langmuir probe data taken in cool, dense plasmas where thin-sheath criteria apply and where magnetic effects are not severe. Noise is filtered out by using regression of orthogonal polynomials. The method requires only a programmable calculator (TI-59 or equivalent) to implement and can be used for the most general, nonequilibrium electron energy distribution plasmas. Data from a mercury ion source analyzed using this method are presented and compared with results for the same data using standard numerical techniques.

Application of energy derivative method to determine the structural components' contribution to deceleration in crashes.

PubMed

Nagasaka, Kei; Mizuno, Koji; Thomson, Robert

2018-03-26

For occupant protection, it is important to understand how a car's deceleration time history in crashes can be designed using efficient of energy absorption by a car body's structure. In a previous paper, the authors proposed an energy derivative method to determine each structural component's contribution to the longitudinal deceleration of a car passenger compartment in crashes. In this study, this method was extended to 2 dimensions in order to analyze various crash test conditions. The contribution of each structure estimated from the energy derivative method was compared to that from a conventional finite element (FE) analysis method using cross-sectional forces. A 2-dimensional energy derivative method was established. A simple FE model with a structural column connected to a rigid body was used to confirm the validity of this method and to compare with the result of cross-sectional forces determined using conventional analysis. Applying this method to a full-width frontal impact simulation of a car FE model, the contribution and the cross-sectional forces of the front rails were compared. In addition, this method was applied to a pedestrian headform FE simulation in order to determine the influence of the structural and inertia forces of the hood structures on the deceleration of the headform undergoing planar motion. In an oblique impact of the simple column and rigid body model, the sum of the contributions of each part agrees with the rigid body deceleration, which indicates the validity of the 2-dimensional energy derivative method. Using the energy derivative method, it was observed that each part of the column contributes to the deceleration of the rigid body by collapsing in the sequence from front to rear, whereas the cross-sectional force at the rear of the column cannot detect the continuous collapse. In the full-width impact of a car, the contributions of the front rails estimated in the energy derivative method was smaller than that using the

Economic screening of renewable energy technologies: Incineration, anaerobic digestion, and biodiesel as applied to waste water scum.

PubMed

Anderson, Erik; Addy, Min; Ma, Huan; Chen, Paul; Ruan, Roger

2016-12-01

In the U.S., the total amount of municipal solid waste is continuously rising each year. Millions of tons of solid waste and scum are produced annually that require safe and environmentally sound disposal. The availability of a zero-cost energy source like municipal waste scum is ideal for several types of renewable energy technologies. However, the way the energy is produced, distributed and valued also contributes to the overall process sustainability. An economic screening method was developed to compare the potential energy and economic value of three waste-to-energy technologies; incineration, anaerobic digestion, and biodiesel. A St. Paul, MN wastewater treatment facility producing 3175 "wet" kilograms of scum per day was used as a basis of the comparison. After applying all theoretically available subsidies, scum to biodiesel was shown to have the greatest economic potential, valued between $491,949 and $610,624/year. The incineration of scum yielded the greatest reclaimed energy potential at 29billion kilojoules/year. Copyright © 2016 Elsevier Ltd. All rights reserved.

Methods for reducing energy dissipation in cosmetic gloves.

PubMed

Herder, J L; Cool, J C; Plettenburg, D H

1998-06-01

For cosmetic reasons, hand prostheses are provided with cosmetic gloves. Their pleasing appearance, however, is accompanied by poor mechanical behavior, resulting in a negative influence on prosthesis operation. Glove stiffness is high and nonlinear, and internal friction in the glove material causes energy dissipation (hysteresis). In this article, two methods for reducing hysteresis in cosmetic gloves are proposed, that may be applied independently or in combination. Glove modification. Altering the mechanical properties of the glove itself is the first method that is presented. It was found possible to reduce both stiffness and hysteresis about 50% by forming grooves into the inside of the glove. Together with the evaluation of this method, several properties of the cosmetic glove were determined. Motion optimization. Additionally, a second method for reducing hysteresis was developed. The amount of hysteresis is influenced by the way the glove is forced to deform. The prosthesis mechanism, determining this deformation, was designed for minimum hysteresis and maximum cosmesis. For the prosthesis-glove combination used in this study, thumb motion optimization reduced hysteresis by about 65%.

Electrical appliance energy consumption control methods and electrical energy consumption systems

DOEpatents

Donnelly, Matthew K [Kennewick, WA; Chassin, David P [Pasco, WA; Dagle, Jeffery E [Richland, WA; Kintner-Meyer, Michael [Richland, WA; Winiarski, David W [Kennewick, WA; Pratt, Robert G [Kennewick, WA; Boberly-Bartis, Anne Marie [Alexandria, VA

2006-03-07

Electrical appliance energy consumption control methods and electrical energy consumption systems are described. In one aspect, an electrical appliance energy consumption control method includes providing an electrical appliance coupled with a power distribution system, receiving electrical energy within the appliance from the power distribution system, consuming the received electrical energy using a plurality of loads of the appliance, monitoring electrical energy of the power distribution system, and adjusting an amount of consumption of the received electrical energy via one of the loads of the appliance from an initial level of consumption to an other level of consumption different than the initial level of consumption responsive to the monitoring.

Electrical appliance energy consumption control methods and electrical energy consumption systems

DOEpatents

Donnelly, Matthew K [Kennewick, WA; Chassin, David P [Pasco, WA; Dagle, Jeffery E [Richland, WA; Kintner-Meyer, Michael [Richland, WA; Winiarski, David W [Kennewick, WA; Pratt, Robert G [Kennewick, WA; Boberly-Bartis, Anne Marie [Alexandria, VA

2008-09-02

Electrical appliance energy consumption control methods and electrical energy consumption systems are described. In one aspect, an electrical appliance energy consumption control method includes providing an electrical appliance coupled with a power distribution system, receiving electrical energy within the appliance from the power distribution system, consuming the received electrical energy using a plurality of loads of the appliance, monitoring electrical energy of the power distribution system, and adjusting an amount of consumption of the received electrical energy via one of the loads of the appliance from an initial level of consumption to an other level of consumption different than the initial level of consumption responsive to the monitoring.

Maximum Entropy Method applied to Real-time Time-Dependent Density Functional Theory

NASA Astrophysics Data System (ADS)

Zempo, Yasunari; Toogoshi, Mitsuki; Kano, Satoru S.

Maximum Entropy Method (MEM) is widely used for the analysis of a time-series data such as an earthquake, which has fairly long-periodicity but short observable data. We have examined MEM to apply to the optical analysis of the time-series data from the real-time TDDFT. In the analysis, usually Fourier Transform (FT) is used, and we have to pay our attention to the lower energy part such as the band gap, which requires the long time evolution. The computational cost naturally becomes quite expensive. Since MEM is based on the autocorrelation of the signal, in which the periodicity can be described as the difference of time-lags, its value in the lower energy naturally gets small compared to that in the higher energy. To improve the difficulty, our MEM has the two features: the raw data is repeated it many times and concatenated, which provides the lower energy resolution in high resolution; together with the repeated data, an appropriate phase for the target frequency is introduced to reduce the side effect of the artificial periodicity. We have compared our improved MEM and FT spectrum using small-to-medium size molecules. We can see the clear spectrum of MEM, compared to that of FT. Our new technique provides higher resolution in fewer steps, compared to that of FT. This work was partially supported by JSPS Grants-in-Aid for Scientific Research (C) Grant number 16K05047, Sumitomo Chemical, Co. Ltd., and Simulatio Corp.

Consensus of satellite cluster flight using an energy-matching optimal control method

NASA Astrophysics Data System (ADS)

Luo, Jianjun; Zhou, Liang; Zhang, Bo

2017-11-01

This paper presents an optimal control method for consensus of satellite cluster flight under a kind of energy matching condition. Firstly, the relation between energy matching and satellite periodically bounded relative motion is analyzed, and the satellite energy matching principle is applied to configure the initial conditions. Then, period-delayed errors are adopted as state variables to establish the period-delayed errors dynamics models of a single satellite and the cluster. Next a novel satellite cluster feedback control protocol with coupling gain is designed, so that the satellite cluster periodically bounded relative motion consensus problem (period-delayed errors state consensus problem) is transformed to the stability of a set of matrices with the same low dimension. Based on the consensus region theory in the research of multi-agent system consensus issues, the coupling gain can be obtained to satisfy the requirement of consensus region and decouple the satellite cluster information topology and the feedback control gain matrix, which can be determined by Linear quadratic regulator (LQR) optimal method. This method can realize the consensus of satellite cluster period-delayed errors, leading to the consistency of semi-major axes (SMA) and the energy-matching of satellite cluster. Then satellites can emerge the global coordinative cluster behavior. Finally the feasibility and effectiveness of the present energy-matching optimal consensus for satellite cluster flight is verified through numerical simulations.

Off-energy-shell p-p scattering at sub-Coulomb energies via the Trojan horse method

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

Tumino, A.; Dipartimento di Metodologie Fisiche e Chimiche per l'Ingegneria, Universita di Catania, Catania; Universita Kore di Enna, Enna

2008-12-15

Two-proton scattering at sub-Coulomb energies has been measured indirectly via the Trojan horse method applied to the p + d{yields}p + p + n reaction to investigate off-energy shell effects for scattering processes. The three-body experiment was performed at 5 and 4.7 MeV corresponding to a p-p relative energy ranging from 80 to 670 keV. The free p-p cross section exhibits a deep minimum right within this relative energy region due to Coulomb plus nuclear destructive interference. No minimum occurs instead in the Trojan horse p-p cross section, which was extracted by employing a simple plane-wave impulse approximation. A detailedmore » formalism was developed to build up the expression of the theoretical half-off-shell p-p cross section. Its behavior agrees with the Trojan horse data and in turn formally fits the n-n, n-p, and nuclear p-p cross sections given the fact that in its expression the Coulomb amplitude is negligible with respect to the nuclear one. These results confirm the Trojan horse suppression of the Coulomb amplitude for scattering due to the off-shell character of the process.« less

Applying Quantitative Genetic Methods to Primate Social Behavior

PubMed Central

Brent, Lauren J. N.

2013-01-01

Increasingly, behavioral ecologists have applied quantitative genetic methods to investigate the evolution of behaviors in wild animal populations. The promise of quantitative genetics in unmanaged populations opens the door for simultaneous analysis of inheritance, phenotypic plasticity, and patterns of selection on behavioral phenotypes all within the same study. In this article, we describe how quantitative genetic techniques provide studies of the evolution of behavior with information that is unique and valuable. We outline technical obstacles for applying quantitative genetic techniques that are of particular relevance to studies of behavior in primates, especially those living in noncaptive populations, e.g., the need for pedigree information, non-Gaussian phenotypes, and demonstrate how many of these barriers are now surmountable. We illustrate this by applying recent quantitative genetic methods to spatial proximity data, a simple and widely collected primate social behavior, from adult rhesus macaques on Cayo Santiago. Our analysis shows that proximity measures are consistent across repeated measurements on individuals (repeatable) and that kin have similar mean measurements (heritable). Quantitative genetics may hold lessons of considerable importance for studies of primate behavior, even those without a specific genetic focus. PMID:24659839

PLURAL METALLIC COATINGS ON URANIUM AND METHOD OF APPLYING SAME

DOEpatents

Gray, A.G.

1958-09-16

A method is described of applying protective coatings to uranlum articles. It consists in applying chromium plating to such uranium articles by electrolysis in a chromic acid bath and subsequently applying, to this minum containing alloy. This aluminum contalning alloy (for example one of aluminum and silicon) may then be used as a bonding alloy between the chromized surface and an aluminum can.

Resonating group method as applied to the spectroscopy of α-transfer reactions

NASA Astrophysics Data System (ADS)

Subbotin, V. B.; Semjonov, V. M.; Gridnev, K. A.; Hefter, E. F.

1983-10-01

In the conventional approach to α-transfer reactions the finite- and/or zero-range distorted-wave Born approximation is used in liaison with a macroscopic description of the captured α particle in the residual nucleus. Here the specific example of 16O(6Li,d)20Ne reactions at different projectile energies is taken to present a microscopic resonating group method analysis of the α particle in the final nucleus (for the reaction part the simple zero-range distorted-wave Born approximation is employed). In the discussion of suitable nucleon-nucleon interactions, force number one of the effective interactions presented by Volkov is shown to be most appropriate for the system considered. Application of the continuous analog of Newton's method to the evaluation of the resonating group method equations yields an increased accuracy with respect to traditional methods. The resonating group method description induces only minor changes in the structures of the angular distributions, but it does serve its purpose in yielding reliable and consistent spectroscopic information. NUCLEAR STRUCTURE 16O(6Li,d)20Ne; E=20 to 32 MeV; calculated B(E2); reduced widths, dσdΩ extracted α-spectroscopic factors. ZRDWBA with microscope RGM description of residual α particle in 20Ne; application of continuous analog of Newton's method; tested and applied Volkov force No. 1; direct mechanism.

A Framework for Engaging Navajo Women in Clean Energy Development through Applied Theatre

ERIC Educational Resources Information Center

Osnes, Beth; Manygoats, Adrian; Weitkamp, Lindsay

2015-01-01

Through applied theatre, Navajo women can participate in authoring a new story for how energy is mined, produced, developed, disseminated and used in the Navajo Nation. This article is an analysis of a creative process that was utilised with primarily Navajo women to create a Navajo Women's Energy Project (NWEP). The framework for this creative…

Renormalization group method based on the ionization energy theory

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

Arulsamy, Andrew Das, E-mail: sadwerdna@gmail.com; School of Physics, University of Sydney, Sydney, New South Wales 2006

2011-03-15

Proofs are developed to explicitly show that the ionization energy theory is a renormalized theory, which mathematically exactly satisfies the renormalization group formalisms developed by Gell-Mann-Low, Shankar and Zinn-Justin. However, the cutoff parameter for the ionization energy theory relies on the energy-level spacing, instead of lattice point spacing in k-space. Subsequently, we apply the earlier proofs to prove that the mathematical structure of the ionization-energy dressed electron-electron screened Coulomb potential is exactly the same as the ionization-energy dressed electron-phonon interaction potential. The latter proof is proven by means of the second-order time-independent perturbation theory with the heavier effective mass condition,more » as required by the electron-electron screened Coulomb potential. The outcome of this proof is that we can derive the heat capacity and the Debye frequency as a function of ionization energy, which can be applied in strongly correlated matter and nanostructures.« less

Near-infrared radiation curable multilayer coating systems and methods for applying same

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

Bowman, Mark P; Verdun, Shelley D; Post, Gordon L

2015-04-28

Multilayer coating systems, methods of applying and related substrates are disclosed. The coating system may comprise a first coating comprising a near-IR absorber, and a second coating deposited on a least a portion of the first coating. Methods of applying a multilayer coating composition to a substrate may comprise applying a first coating comprising a near-IR absorber, applying a second coating over at least a portion of the first coating and curing the coating with near infrared radiation.

10 CFR Appendix A to Part 1040 - Federal Financial Assistance of the Department of Energy to Which This Part Applies

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 4 2010-01-01 2010-01-01 false Federal Financial Assistance of the Department of Energy to Which This Part Applies A Appendix A to Part 1040 Energy DEPARTMENT OF ENERGY (GENERAL PROVISIONS... Financial Assistance of the Department of Energy to Which This Part Applies 1. Access permits. Atomic Energy...

Analytical RISM-MP2 free energy gradient method: Application to the Schlenk equilibrium of Grignard reagent

NASA Astrophysics Data System (ADS)

Mori, Toshifumi; Kato, Shigeki

2007-03-01

We present a method to evaluate the analytical gradient of reference interaction site model Møller-Plesset second order free energy with respect to solute nuclear coordinates. It is applied to calculate the geometries and energies in the equilibria of the Grignard reagent (CH 3MgCl) in dimethylether solvent. The Mg-Mg and Mg-Cl distances as well as the binding energies of solvents are largely affected by the dynamical electron correlation. The solvent effect on the Schlenk equilibrium is examined.

Improved modified energy ratio method using a multi-window approach for accurate arrival picking

NASA Astrophysics Data System (ADS)

Lee, Minho; Byun, Joongmoo; Kim, Dowan; Choi, Jihun; Kim, Myungsun

2017-04-01

To identify accurately the location of microseismic events generated during hydraulic fracture stimulation, it is necessary to detect the first break of the P- and S-wave arrival times recorded at multiple receivers. These microseismic data often contain high-amplitude noise, which makes it difficult to identify the P- and S-wave arrival times. The short-term-average to long-term-average (STA/LTA) and modified energy ratio (MER) methods are based on the differences in the energy densities of the noise and signal, and are widely used to identify the P-wave arrival times. The MER method yields more consistent results than the STA/LTA method for data with a low signal-to-noise (S/N) ratio. However, although the MER method shows good results regardless of the delay of the signal wavelet for signals with a high S/N ratio, it may yield poor results if the signal is contaminated by high-amplitude noise and does not have the minimum delay. Here we describe an improved MER (IMER) method, whereby we apply a multiple-windowing approach to overcome the limitations of the MER method. The IMER method contains calculations of an additional MER value using a third window (in addition to the original MER window), as well as the application of a moving average filter to each MER data point to eliminate high-frequency fluctuations in the original MER distributions. The resulting distribution makes it easier to apply thresholding. The proposed IMER method was applied to synthetic and real datasets with various S/N ratios and mixed-delay wavelets. The results show that the IMER method yields a high accuracy rate of around 80% within five sample errors for the synthetic datasets. Likewise, in the case of real datasets, 94.56% of the P-wave picking results obtained by the IMER method had a deviation of less than 0.5 ms (corresponding to 2 samples) from the manual picks.

Rethinking Diffusion Theory in an Applied Context: Role of Environmental Values in Adoption of Home Energy Conservation

ERIC Educational Resources Information Center

Priest, Susanna Hornig; Greenhalgh, Ted; Neill, Helen R.; Young, Gabriel Reuben

2015-01-01

Diffusion theory, developed and popularized within communication research by Everett Rogers, is a venerable approach with much to recommend it as a theoretical foundation for applied communication research. In developing an applied project for a home energy conservation (energy efficiency retrofit) program in the state of Nevada, we utilized key…

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.

The Movable Type Method Applied to Protein-Ligand Binding.

PubMed

Zheng, Zheng; Ucisik, Melek N; Merz, Kenneth M

2013-12-10

Accurately computing the free energy for biological processes like protein folding or protein-ligand association remains a challenging problem. Both describing the complex intermolecular forces involved and sampling the requisite configuration space make understanding these processes innately difficult. Herein, we address the sampling problem using a novel methodology we term "movable type". Conceptually it can be understood by analogy with the evolution of printing and, hence, the name movable type. For example, a common approach to the study of protein-ligand complexation involves taking a database of intact drug-like molecules and exhaustively docking them into a binding pocket. This is reminiscent of early woodblock printing where each page had to be laboriously created prior to printing a book. However, printing evolved to an approach where a database of symbols (letters, numerals, etc.) was created and then assembled using a movable type system, which allowed for the creation of all possible combinations of symbols on a given page, thereby, revolutionizing the dissemination of knowledge. Our movable type (MT) method involves the identification of all atom pairs seen in protein-ligand complexes and then creating two databases: one with their associated pairwise distant dependent energies and another associated with the probability of how these pairs can combine in terms of bonds, angles, dihedrals and non-bonded interactions. Combining these two databases coupled with the principles of statistical mechanics allows us to accurately estimate binding free energies as well as the pose of a ligand in a receptor. This method, by its mathematical construction, samples all of configuration space of a selected region (the protein active site here) in one shot without resorting to brute force sampling schemes involving Monte Carlo, genetic algorithms or molecular dynamics simulations making the methodology extremely efficient. Importantly, this method explores the free

Sunlight-energy-storing method

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

Kitao, T.; Ishihara, Sh.; Setsune, J.I.

1984-05-22

This invention is a method for storing light energy using an indigo derivative. Among indigo derivatives capable of storing light energy by the photoisomerization of the molecule from the trans-form to the cis-form, compounds heretofore obtained have been soluble only in expensive solvents such as benzene, toluene, chloroform, carbon tetrachloride and the like and harmful substances. On the other hand, the indigo derivative of this invention has the form of a pyridinium salt, is soluble in water and/or ethanol, and permits employment of safe and inexpensive water and/or an alcohol as a solvent. The indigo derivative of this invention convertedmore » from the trans-form to the cis-form by irradiation with sunlight and storing sunlight energy liberates the aforesaid stored energy as heat on addition of a catalyst and/or a heat trigger.« less

Cluster detection methods applied to the Upper Cape Cod cancer data.

PubMed

Ozonoff, Al; Webster, Thomas; Vieira, Veronica; Weinberg, Janice; Ozonoff, David; Aschengrau, Ann

2005-09-15

A variety of statistical methods have been suggested to assess the degree and/or the location of spatial clustering of disease cases. However, there is relatively little in the literature devoted to comparison and critique of different methods. Most of the available comparative studies rely on simulated data rather than real data sets. We have chosen three methods currently used for examining spatial disease patterns: the M-statistic of Bonetti and Pagano; the Generalized Additive Model (GAM) method as applied by Webster; and Kulldorff's spatial scan statistic. We apply these statistics to analyze breast cancer data from the Upper Cape Cancer Incidence Study using three different latency assumptions. The three different latency assumptions produced three different spatial patterns of cases and controls. For 20 year latency, all three methods generally concur. However, for 15 year latency and no latency assumptions, the methods produce different results when testing for global clustering. The comparative analyses of real data sets by different statistical methods provides insight into directions for further research. We suggest a research program designed around examining real data sets to guide focused investigation of relevant features using simulated data, for the purpose of understanding how to interpret statistical methods applied to epidemiological data with a spatial component.

Chapter 8: Whole-Building Retrofit with Consumption Data Analysis 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.; Agnew, Ken; Goldberg, Mimi

Whole-building retrofits involve the installation of multiple measures. Whole-building retrofit programs take many forms. With a focus on overall building performance, these programs usually begin with an energy audit to identify cost-effective energy efficiency measures for the home. Measures are then installed, either at no cost to the homeowner or partially paid for by rebates and/or financing. The methods described here may also be applied to evaluation of single-measure retrofit programs. Related methods exist for replace-on-failure programs and for new construction, but are not the subject of this chapter.

Proposal of a calculation method to determine the structural components' contribution on the deceleration of a passenger compartment based on the energy-derivative method.

PubMed

Nagasaka, Kei; Mizuno, Koji; Ito, Daisuke; Saida, Naoya

2017-05-29

In car crashes, the passenger compartment deceleration significantly influences the occupant loading. Hence, it is important to consider how each structural component deforms in order to control the passenger compartment deceleration. In frontal impact tests, the passenger compartment deceleration depends on the energy absorption property of the front structures. However, at this point in time there are few papers describing the components' quantitative contributions on the passenger compartment deceleration. Generally, the cross-sectional force is used to examine each component's contribution to passenger compartment deceleration. However, it is difficult to determine each component's contribution based on the cross-sectional forces, especially within segments of the individual members itself such as the front rails, because the force is transmitted continuously and the cross-sectional forces remain the same through the component. The deceleration of a particle can be determined from the derivative of the kinetic energy. Using this energy-derivative method, the contribution of each component on the passenger compartment deceleration can be determined. Using finite element (FE) car models, this method was applied for full-width and offset impact tests. This method was also applied to evaluate the deceleration of the powertrain. The finite impulse response (FIR) coefficient of the vehicle deceleration (input) and the driver chest deceleration (output) was calculated from Japan New Car Assessment Program (JNCAP) tests. These were applied to the component's contribution on the vehicle deceleration in FE analysis, and the component's contribution to the deceleration of the driver's chest was determined. The sum of the contribution of each component coincides with the passenger compartment deceleration in all types of impacts; therefore, the validity of this method was confirmed. In the full-width impact, the contribution of the crush box was large in the initial phases

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.

An improved method for piezoelectric characterization of polymers for energy harvesting applications

NASA Astrophysics Data System (ADS)

Gusarova, E.; Gusarov, B.; Zakharov, D.; Bousquet, M.; Viala, B.; Cugat, O.; Delamare, J.; Gimeno, L.

2013-12-01

This work presents an improved method for measuring the direct piezoelectric voltage and energy of flexible polymers. Well-controlled stress is applied with a four-point bending system and voltage is measured in real open-circuit conditions. The presented method separates the piezoelectric part from the measurement part by introducing a mechanical switch, allowing instantaneous post-deformation discharge measurements. Oscilloscope and contact-less electrostatic voltmeter are compared. Direct piezoelectric measurements under open-circuit conditions have been performed on commercial PVDF (polyvinylidene fluoride) and its copolymers. Significant differences to data sheet values (close-circuit conditions) are reported and commented.

Enhanced Molecular Dynamics Methods Applied to Drug Design Projects.

PubMed

Ziada, Sonia; Braka, Abdennour; Diharce, Julien; Aci-Sèche, Samia; Bonnet, Pascal

2018-01-01

Nobel Laureate Richard P. Feynman stated: "[…] everything that living things do can be understood in terms of jiggling and wiggling of atoms […]." The importance of computer simulations of macromolecules, which use classical mechanics principles to describe atom behavior, is widely acknowledged and nowadays, they are applied in many fields such as material sciences and drug discovery. With the increase of computing power, molecular dynamics simulations can be applied to understand biological mechanisms at realistic timescales. In this chapter, we share our computational experience providing a global view of two of the widely used enhanced molecular dynamics methods to study protein structure and dynamics through the description of their characteristics, limits and we provide some examples of their applications in drug design. We also discuss the appropriate choice of software and hardware. In a detailed practical procedure, we describe how to set up, run, and analyze two main molecular dynamics methods, the umbrella sampling (US) and the accelerated molecular dynamics (aMD) methods.

Coda Wave Interferometry Method Applied in Structural Monitoring to Assess Damage Evolution in Masonry and Concrete Structures

NASA Astrophysics Data System (ADS)

Masera, D.; Bocca, P.; Grazzini, A.

2011-07-01

In this experimental program the main goal is to monitor the damage evolution in masonry and concrete structures by Acoustic Emission (AE) signal analysis applying a well-know seismic method. For this reason the concept of the coda wave interferometry is applied to AE signal recorded during the tests. Acoustic Emission (AE) are very effective non-destructive techniques applied to identify micro and macro-defects and their temporal evolution in several materials. This technique permits to estimate the velocity of ultrasound waves propagation and the amount of energy released during fracture propagation to obtain information on the criticality of the ongoing process. By means of AE monitoring, an experimental analysis on a set of reinforced masonry walls under variable amplitude loading and strengthening reinforced concrete (RC) beams under monotonic static load has been carried out. In the reinforced masonry wall, cyclic fatigue stress has been applied to accelerate the static creep and to forecast the corresponding creep behaviour of masonry under static long-time loading. During the tests, the evaluation of fracture growth is monitored by coda wave interferometry which represents a novel approach in structural monitoring based on AE relative change velocity of coda signal. In general, the sensitivity of coda waves has been used to estimate velocity changes in fault zones, in volcanoes, in a mining environment, and in ultrasound experiments. This method uses multiple scattered waves, which travelled through the material along numerous paths, to infer tiny temporal changes in the wave velocity. The applied method has the potential to be used as a "damage-gauge" for monitoring velocity changes as a sign of damage evolution into masonry and concrete structures.

A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method

NASA Astrophysics Data System (ADS)

Yoshida, Norio

2018-05-01

A new method for finding the minimum free energy pathway (MFEP) of ions and small molecule transportation through a protein based on the three-dimensional reference interaction site model (3D-RISM) theory combined with the string method has been proposed. The 3D-RISM theory produces the distribution function, or the potential of mean force (PMF), for transporting substances around the given protein structures. By applying the string method to the PMF surface, one can readily determine the MFEP on the PMF surface. The method has been applied to consider the Na+ conduction pathway of channelrhodopsin as an example.

A Lagrangian meshfree method applied to linear and nonlinear elasticity.

PubMed

Walker, Wade A

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code.

A Lagrangian meshfree method applied to linear and nonlinear elasticity

PubMed Central

2017-01-01

The repeated replacement method (RRM) is a Lagrangian meshfree method which we have previously applied to the Euler equations for compressible fluid flow. In this paper we present new enhancements to RRM, and we apply the enhanced method to both linear and nonlinear elasticity. We compare the results of ten test problems to those of analytic solvers, to demonstrate that RRM can successfully simulate these elastic systems without many of the requirements of traditional numerical methods such as numerical derivatives, equation system solvers, or Riemann solvers. We also show the relationship between error and computational effort for RRM on these systems, and compare RRM to other methods to highlight its strengths and weaknesses. And to further explain the two elastic equations used in the paper, we demonstrate the mathematical procedure used to create Riemann and Sedov-Taylor solvers for them, and detail the numerical techniques needed to embody those solvers in code. PMID:29045443

Compendium of Methods for Applying Measured Data to Vibration and Acoustic Problems

DTIC Science & Technology

1985-10-01

statistical energy analysis , finite element models, transfer function...Procedures for the Modal Analysis Method .............................................. 8-22 8.4 Summary of the Procedures for the Statistical Energy Analysis Method... statistical energy analysis . 8-1 • o + . . i... "_+,A" L + "+..• •+A ’! i, + +.+ +• o.+ -ore -+. • -..- , .%..% ". • 2 -".-2- ;.-.’, . o . It is helpful

A practical method to calculate the R1 index of waste-to-energy facilities.

PubMed

Viganò, Federico

2018-03-01

According to Directive 98/2008/EC, the operation carried out by an incinerator of Municipal Solid Waste (MSW) is classified either as energy recovery (R1) or as disposal (D10) depending on the result achieved by the application of the R1 formula. In 2011 the DG Environment of the European Commission (EC) issued some non-binding guidelines on the interpretation of such a formula that clarified many aspects related to its application. A point not fully clarified by the EC guidelines is the determination of the energy contained in the treated waste (E W ). For this term of the formula, reference is made to the indirect method for the calculation of boiler thermal efficiency, as defined by the norm EN 12952-15. However, the application of such a norm to an entire year of operation of a Waste-to-Energy (WtE) boiler is not immediate. Therefore, a practical method for the calculation of the E W term has been developed in the framework of a collaboration between the MatER Study Centre and the Lombardy Region (Italy). The method is based on: (i) the identification of the most reliable data available from the Distributed Control System (DCS) of the plant; (ii) the definition of a control volume around the boiler(s) also based on the availability of data; (iii) the closure of the mass balance for such a control volume; (iv) the energy balance of the same control volume that gives, thus, the E W term of the R1 formula. The method has been applied in 2015-2016 to nine plants, generating a number of interesting data reported and discussed in this work, such as R1 index values, Lower Heating Values (LHV) of the treated wastes, main sources of energy losses in WtE boilers, etc. For one case study, discussed in detail in this work, the law of propagation of uncertainties has been applied according to the ISO/IEC Guide 98-3, leading to the assessment of the accuracy of the method, which resulted in ±2.4% with a confidence level of circa 95%. Copyright © 2017 Elsevier Ltd. All

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

Advancing MODFLOW Applying the Derived Vector Space Method

NASA Astrophysics Data System (ADS)

Herrera, G. S.; Herrera, I.; Lemus-García, M.; Hernandez-Garcia, G. D.

2015-12-01

The most effective domain decomposition methods (DDM) are non-overlapping DDMs. Recently a new approach, the DVS-framework, based on an innovative discretization method that uses a non-overlapping system of nodes (the derived-nodes), was introduced and developed by I. Herrera et al. [1, 2]. Using the DVS-approach a group of four algorithms, referred to as the 'DVS-algorithms', which fulfill the DDM-paradigm (i.e. the solution of global problems is obtained by resolution of local problems exclusively) has been derived. Such procedures are applicable to any boundary-value problem, or system of such equations, for which a standard discretization method is available and then software with a high degree of parallelization can be constructed. In a parallel talk, in this AGU Fall Meeting, Ismael Herrera will introduce the general DVS methodology. The application of the DVS-algorithms has been demonstrated in the solution of several boundary values problems of interest in Geophysics. Numerical examples for a single-equation, for the cases of symmetric, non-symmetric and indefinite problems were demonstrated before [1,2]. For these problems DVS-algorithms exhibited significantly improved numerical performance with respect to standard versions of DDM algorithms. In view of these results our research group is in the process of applying the DVS method to a widely used simulator for the first time, here we present the advances of the application of this method for the parallelization of MODFLOW. Efficiency results for a group of tests will be presented. References [1] I. Herrera, L.M. de la Cruz and A. Rosas-Medina. Non overlapping discretization methods for partial differential equations, Numer Meth Part D E, (2013). [2] Herrera, I., & Contreras Iván "An Innovative Tool for Effectively Applying Highly Parallelized Software To Problems of Elasticity". Geofísica Internacional, 2015 (In press)

Projection-reduction method applied to deriving non-linear optical conductivity for an electron-impurity system

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

Kang, Nam Lyong; Lee, Sang-Seok; Graduate School of Engineering, Tottori University, 4-101 Koyama-Minami, Tottori

2013-07-15

The projection-reduction method introduced by the present authors is known to give a validated theory for optical transitions in the systems of electrons interacting with phonons. In this work, using this method, we derive the linear and first order nonlinear optical conductivites for an electron-impurity system and examine whether the expressions faithfully satisfy the quantum mechanical philosophy, in the same way as for the electron-phonon systems. The result shows that the Fermi distribution function for electrons, energy denominators, and electron-impurity coupling factors are contained properly in organized manners along with absorption of photons for each electron transition process in themore » final expressions. Furthermore, the result is shown to be represented properly by schematic diagrams, as in the formulation of electron-phonon interaction. Therefore, in conclusion, we claim that this method can be applied in modeling optical transitions of electrons interacting with both impurities and phonons.« less

Progress in Energy Storage Technologies: Models and Methods for Policy Analysis

NASA Astrophysics Data System (ADS)

Matteson, Schuyler W.

Climate change and other sustainability challenges have led to the development of new technologies that increase energy efficiency and reduce the utilization of finite resources. To promote the adoption of technologies with social benefits, governments often enact policies that provide financial incentives at the point of purchase. In their current form, these subsidies have the potential to increase the diffusion of emerging technologies; however, accounting for technological progress can improve program success while decreasing net public investment. This research develops novel methods using experience curves for the development of more efficient subsidy policies. By providing case studies in the field of automotive energy storage technologies, this dissertation also applies the methods to show the impacts of incorporating technological progress into energy policies. Specific findings include learning-dependent tapering subsidies for electric vehicles based on the lithium-ion battery experience curve, the effects of residual learning rates in lead-acid batteries on emerging technology cost competitiveness, and a cascading diffusion assessment of plug-in hybrid electric vehicle subsidy programs. Notably, the results show that considering learning rates in policy development can save billions of dollars in public funds, while also lending insight into the decision of whether or not to subsidize a given technology.

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.

Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystems

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

Orimoto, Yuuichi; Xie, Peng; Liu, Kai

2015-03-14

An Elongation-counterpoise (ELG-CP) method was developed for performing accurate and efficient interaction energy analysis and correcting the basis set superposition error (BSSE) in biosystems. The method was achieved by combining our developed ab initio O(N) elongation method with the conventional counterpoise method proposed for solving the BSSE problem. As a test, the ELG-CP method was applied to the analysis of the DNAs’ inter-strands interaction energies with respect to the alkylation-induced base pair mismatch phenomenon that causes a transition from G⋯C to A⋯T. It was found that the ELG-CP method showed high efficiency (nearly linear-scaling) and high accuracy with a negligiblymore » small energy error in the total energy calculations (in the order of 10{sup −7}–10{sup −8} hartree/atom) as compared with the conventional method during the counterpoise treatment. Furthermore, the magnitude of the BSSE was found to be ca. −290 kcal/mol for the calculation of a DNA model with 21 base pairs. This emphasizes the importance of BSSE correction when a limited size basis set is used to study the DNA models and compare small energy differences between them. In this work, we quantitatively estimated the inter-strands interaction energy for each possible step in the transition process from G⋯C to A⋯T by the ELG-CP method. It was found that the base pair replacement in the process only affects the interaction energy for a limited area around the mismatch position with a few adjacent base pairs. From the interaction energy point of view, our results showed that a base pair sliding mechanism possibly occurs after the alkylation of guanine to gain the maximum possible number of hydrogen bonds between the bases. In addition, the steps leading to the A⋯T replacement accompanied with replications were found to be unfavorable processes corresponding to ca. 10 kcal/mol loss in stabilization energy. The present study indicated that the ELG-CP method is

Energy stable and high-order-accurate finite difference methods on staggered grids

NASA Astrophysics Data System (ADS)

O'Reilly, Ossian; Lundquist, Tomas; Dunham, Eric M.; Nordström, Jan

2017-10-01

For wave propagation over distances of many wavelengths, high-order finite difference methods on staggered grids are widely used due to their excellent dispersion properties. However, the enforcement of boundary conditions in a stable manner and treatment of interface problems with discontinuous coefficients usually pose many challenges. In this work, we construct a provably stable and high-order-accurate finite difference method on staggered grids that can be applied to a broad class of boundary and interface problems. The staggered grid difference operators are in summation-by-parts form and when combined with a weak enforcement of the boundary conditions, lead to an energy stable method on multiblock grids. The general applicability of the method is demonstrated by simulating an explosive acoustic source, generating waves reflecting against a free surface and material discontinuity.

Review of Methods for Buildings Energy Performance Modelling

NASA Astrophysics Data System (ADS)

Krstić, Hrvoje; Teni, Mihaela

2017-10-01

Research presented in this paper gives a brief review of methods used for buildings energy performance modelling. This paper gives also a comprehensive review of the advantages and disadvantages of available methods as well as the input parameters used for modelling buildings energy performance. European Directive EPBD obliges the implementation of energy certification procedure which gives an insight on buildings energy performance via exiting energy certificate databases. Some of the methods for buildings energy performance modelling mentioned in this paper are developed by employing data sets of buildings which have already undergone an energy certification procedure. Such database is used in this paper where the majority of buildings in the database have already gone under some form of partial retrofitting - replacement of windows or installation of thermal insulation but still have poor energy performance. The case study presented in this paper utilizes energy certificates database obtained from residential units in Croatia (over 400 buildings) in order to determine the dependence between buildings energy performance and variables from database by using statistical dependencies tests. Building energy performance in database is presented with building energy efficiency rate (from A+ to G) which is based on specific annual energy needs for heating for referential climatic data [kWh/(m2a)]. Independent variables in database are surfaces and volume of the conditioned part of the building, building shape factor, energy used for heating, CO2 emission, building age and year of reconstruction. Research results presented in this paper give an insight in possibilities of methods used for buildings energy performance modelling. Further on it gives an analysis of dependencies between buildings energy performance as a dependent variable and independent variables from the database. Presented results could be used for development of new building energy performance predictive

An Error Analysis for the Finite Element Method Applied to Convection Diffusion Problems.

DTIC Science & Technology

1981-03-01

D TFhG-]NOLOGY k 4b 00 \\" ) ’b Technical Note BN-962 AN ERROR ANALYSIS FOR THE FINITE ELEMENT METHOD APPLIED TO CONVECTION DIFFUSION PROBLEM by I...Babu~ka and W. G. Szym’czak March 1981 V.. UNVI I Of- ’i -S AN ERROR ANALYSIS FOR THE FINITE ELEMENT METHOD P. - 0 w APPLIED TO CONVECTION DIFFUSION ...AOAO98 895 MARYLAND UNIVYCOLLEGE PARK INST FOR PHYSICAL SCIENCE--ETC F/G 12/I AN ERROR ANALYIS FOR THE FINITE ELEMENT METHOD APPLIED TO CONV..ETC (U

Direct Delta-MBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

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

Beste, Ariana; Vazquez-Mayagoitia, Alvaro; Ortiz, J. Vincent

2013-01-01

A direct method (D-Delta-MBPT(2)) to calculate second-order ionization potentials (IPs), electron affinities (EAs), and excitation energies is developed. The Delta-MBPT(2) method is defined as the correlated extension of the Delta-HF method. Energy differences are obtained by integrating the energy derivative with respect to occupation numbers over the appropriate parameter range. This is made possible by writing the second-order energy as a function of the occupation numbers. Relaxation effects are fully included at the SCF level. This is in contrast to linear response theory, which makes the D-Delta-MBPT(2) applicable not only to single excited but also higher excited states. We showmore » the relationship of the D-Delta-MBPT(2) method for IPs and EAs to a second-order approximation of the effective Fock-space coupled-cluster Hamiltonian and a second-order electron propagator method. We also discuss the connection between the D-Delta-MBPT(2) method for excitation energies and the CIS-MP2 method. Finally, as a proof of principle, we apply our method to calculate ionization potentials and excitation energies of some small molecules. For IPs, the Delta-MBPT(2) results compare well to the second-order solution of the Dyson equation. For excitation energies, the deviation from EOM-CCSD increases when correlation becomes more important. When using the numerical integration technique, we encounter difficulties that prevented us from reaching the Delta-MBPT(2) values. Most importantly, relaxation beyond the Hartree Fock level is significant and needs to be included in future research.« less

Conservation voltage regulation (CVR) applied to energy savings by voltage-adjusting equipment through AMI

NASA Astrophysics Data System (ADS)

Lan, B.-R.; Chang, C.-A.; Huang, P.-Y.; Kuo, C.-H.; Ye, Z.-J.; Shen, B.-C.; Chen, B.-K.

2017-11-01

Conservation voltage reduction (CVR) includes peak demand reduction, energy conservation, carbon emission reduction, and electricity bill reduction. This paper analyzes the energy-reduction of Siwei Feeders with applying CVR, which are situated in Penghu region and equipped with smart meters. Furthermore, the applicable voltage reduction range for the feeders will be explored. This study will also investigate how the CVR effect and energy conservation are improved with the voltage control devices integrated. The results of this study can serve as a reference for the Taiwan Power Company to promote and implement voltage reduction and energy conservation techniques. This study is expected to enhance the energy-reduction performance of the Penghu Low Carbon Island Project.

Analysis of concrete beams using applied element method

NASA Astrophysics Data System (ADS)

Lincy Christy, D.; Madhavan Pillai, T. M.; Nagarajan, Praveen

2018-03-01

The Applied Element Method (AEM) is a displacement based method of structural analysis. Some of its features are similar to that of Finite Element Method (FEM). In AEM, the structure is analysed by dividing it into several elements similar to FEM. But, in AEM, elements are connected by springs instead of nodes as in the case of FEM. In this paper, background to AEM is discussed and necessary equations are derived. For illustrating the application of AEM, it has been used to analyse plain concrete beam of fixed support condition. The analysis is limited to the analysis of 2-dimensional structures. It was found that the number of springs has no much influence on the results. AEM could predict deflection and reactions with reasonable degree of accuracy.

IEA EBC annex 53: Total energy use in buildings—Analysis and evaluation methods

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

Yoshino, Hiroshi; Hong, Tianzhen; Nord, Natasa

One of the most significant barriers to achieving deep building energy efficiency is a lack of knowledge about the factors determining energy use. In fact, there is often a significant discrepancy between designed and real energy use in buildings, which is poorly understood but are believed to have more to do with the role of human behavior than building design. Building energy use is mainly influenced by six factors: climate, building envelope, building services and energy systems, building operation and maintenance, occupants’ activities and behavior, and indoor environmental quality. In the past, much research focused on the first three factors.more » However, the next three human-related factors can have an influence as significant as the first three. Annex 53 employed an interdisciplinary approach, integrating building science, architectural engineering, computer modeling and simulation, and social and behavioral science to develop and apply methods to analyze and evaluate the real energy use in buildings considering the six influencing factors. Finally, outcomes from Annex 53 improved understanding and strengthen knowledge regarding the robust prediction of total energy use in buildings, enabling reliable quantitative assessment of energy-savings measures, policies, and techniques.« less

IEA EBC annex 53: Total energy use in buildings—Analysis and evaluation methods

DOE PAGES

Yoshino, Hiroshi; Hong, Tianzhen; Nord, Natasa

2017-07-18

One of the most significant barriers to achieving deep building energy efficiency is a lack of knowledge about the factors determining energy use. In fact, there is often a significant discrepancy between designed and real energy use in buildings, which is poorly understood but are believed to have more to do with the role of human behavior than building design. Building energy use is mainly influenced by six factors: climate, building envelope, building services and energy systems, building operation and maintenance, occupants’ activities and behavior, and indoor environmental quality. In the past, much research focused on the first three factors.more » However, the next three human-related factors can have an influence as significant as the first three. Annex 53 employed an interdisciplinary approach, integrating building science, architectural engineering, computer modeling and simulation, and social and behavioral science to develop and apply methods to analyze and evaluate the real energy use in buildings considering the six influencing factors. Finally, outcomes from Annex 53 improved understanding and strengthen knowledge regarding the robust prediction of total energy use in buildings, enabling reliable quantitative assessment of energy-savings measures, policies, and techniques.« less

Thermal energy storage devices, systems, and thermal energy storage device monitoring methods

DOEpatents

Tugurlan, Maria; Tuffner, Francis K; Chassin, David P.

2016-09-13

Thermal energy storage devices, systems, and thermal energy storage device monitoring methods are described. According to one aspect, a thermal energy storage device includes a reservoir configured to hold a thermal energy storage medium, a temperature control system configured to adjust a temperature of the thermal energy storage medium, and a state observation system configured to provide information regarding an energy state of the thermal energy storage device at a plurality of different moments in time.

A Review of Methods Applied by the U.S. Geological Survey in the Assessment of Identified Geothermal Resources

USGS Publications Warehouse

Williams, Colin F.; Reed, Marshall J.; Mariner, Robert H.

2008-01-01

The U. S. Geological Survey (USGS) is conducting an updated assessment of geothermal resources in the United States. The primary method applied in assessments of identified geothermal systems by the USGS and other organizations is the volume method, in which the recoverable heat is estimated from the thermal energy available in a reservoir. An important focus in the assessment project is on the development of geothermal resource models consistent with the production histories and observed characteristics of exploited geothermal fields. The new assessment will incorporate some changes in the models for temperature and depth ranges for electric power production, preferred chemical geothermometers for estimates of reservoir temperatures, estimates of reservoir volumes, and geothermal energy recovery factors. Monte Carlo simulations are used to characterize uncertainties in the estimates of electric power generation. These new models for the recovery of heat from heterogeneous, fractured reservoirs provide a physically realistic basis for evaluating the production potential of natural geothermal reservoirs.

Accurate Simulation of MPPT Methods Performance When Applied to Commercial Photovoltaic Panels

PubMed Central

2015-01-01

A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions. PMID:25874262

Accurate simulation of MPPT methods performance when applied to commercial photovoltaic panels.

PubMed

Cubas, Javier; Pindado, Santiago; Sanz-Andrés, Ángel

2015-01-01

A new, simple, and quick-calculation methodology to obtain a solar panel model, based on the manufacturers' datasheet, to perform MPPT simulations, is described. The method takes into account variations on the ambient conditions (sun irradiation and solar cells temperature) and allows fast MPPT methods comparison or their performance prediction when applied to a particular solar panel. The feasibility of the described methodology is checked with four different MPPT methods applied to a commercial solar panel, within a day, and under realistic ambient conditions.

Energy, Environment, Productivity. Proceedings of the First Symposium on RANN: Research Applied to National Needs, November 1973.

ERIC Educational Resources Information Center

Holmes, Jay, Ed.

This volume records the presentations made at the Symposium on Research Applied to National Needs. The three major problem areas of energy, the environment, and productivity serve as a focus for the papers. The 14 papers in the first section deal with energy programs; energy under the ocean; energy conversion and transmission systems; and…

Fixed Nadir Focus Concentrated Solar Power Applying Reflective Array Tracking Method

NASA Astrophysics Data System (ADS)

Setiawan, B.; DAMayanti, A. M.; Murdani, A.; Habibi, I. I. A.; Wakidah, R. N.

2018-04-01

The Sun is one of the most potential renewable energy develoPMent to be utilized, one of its utilization is for solar thermal concentrators, CSP (Concentrated Solar Power). In CSP energy conversion, the concentrator is as moving the object by tracking the sunlight to reach the focus point. This method need quite energy consumption, because the unit of the concentrators has considerable weight, and use large CSP, means the existence of the usage unit will appear to be wider and heavier. The addition of weight and width of the unit will increase the torque to drive the concentrator and hold the wind gusts. One method to reduce energy consumption is direct the sunlight by the reflective array to nadir through CSP with Reflective Fresnel Lens concentrator. The focus will be below the nadir direction, and the position of concentrator will be fixed position even the angle of the sun’s elevation changes from morning to afternoon. So, the energy concentrated maximally, because it has been protected from wind gusts. And then, the possibility of dAMage and changes in focus construction will not occur. The research study and simulation of the reflective array (mechanical method) will show the reflective angle movement. The distance between reflectors and their angle are controlled by mechatronics. From the simulation using fresnel 1m2, and efficiency of solar energy is 60.88%. In restriction, the intensity of sunlight at the tropical circles 1KW/peak, from 6 AM until 6 PM.

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.

G W (Γ ) method without the Bethe-Salpeter equation for photoabsorption energies of spin-polarized systems

NASA Astrophysics Data System (ADS)

Isobe, Tomoharu; Kuwahara, Riichi; Ohno, Kaoru

2018-06-01

The one-shot G W method, beginning with the local density approximation (LDA), enables one to calculate photoemission and inverse photoemission spectra. In order to calculate photoabsorption spectra, one had to additionally solve the Bethe-Salpeter equation (BSE) for the two-particle (electron-hole) Green's function, which doubly induces evaluation errors. It has been recently reported that the G W +BSE method significantly underestimates the experimental photoabsorption energies (PAEs) of small molecules. In order to avoid these problems, we propose to apply the G W (Γ ) method not to the neutral ground state but to the cationic state to calculate PAEs without solving the BSE, which allows a rigorous one-to-one correspondence between the photoabsorption peak and the "extended" quasiparticle level. We applied the self-consistent linearized G W Γ method including the vertex correction Γ to our method, and found that this method gives the PAEs of B, Na3, and Li3 to within 0.1 eV accuracy.

MPA-11: Materials Synthesis and Integrated Devices; Overview of an Applied Energy Group

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

Dattelbaum, Andrew Martin

Our mission is to provide innovative and creative chemical synthesis and materials science solutions to solve materials problems across the LANL missions. Our group conducts basic and applied research in areas related to energy security as well as problems relevant to the Weapons Program.

Concept for a fast analysis method of the energy dissipation at mechanical joints

NASA Astrophysics Data System (ADS)

Wolf, Alexander; Brosius, Alexander

2017-10-01

When designing hybrid parts and structures one major challenge is the design, production and quality assessment of the joining points. While the polymeric composites themselves have excellent material properties, the necessary joints are often the weak link in assembled structures. This paper presents a method of measuring and analysing the energy dissipation at mechanical joining points of hybrid parts. A simplified model is applied based on the characteristic response to different excitation frequencies and amplitudes. The dissipation from damage is the result of relative moments between joining partners und damaged fibres within the composite, whereas the visco-elastic material behaviour causes the intrinsic dissipation. The ambition is to transfer these research findings to the characterisation of mechanical joints in order to quickly assess the general quality of the joint with this non-destructive testing method. The inherent challenge for realising this method is the correct interpretation of the measured energy dissipation and its attribution to either a bad joining point or intrinsic material properties. In this paper the authors present the concept for energy dissipation measurements at different joining points. By inverse analysis a simplified fast semi-analytical model will be developed that allows for a quick basic quality assessment of a given joining point.

Thermophotovoltaic energy generation

DOEpatents

Celanovic, Ivan; Chan, Walker; Bermel, Peter; Yeng, Adrian Y. X.; Marton, Christopher; Ghebrebrhan, Michael; Araghchini, Mohammad; Jensen, Klavs F.; Soljacic, Marin; Joannopoulos, John D.; Johnson, Steven G.; Pilawa-Podgurski, Robert; Fisher, Peter

2015-08-25

Inventive systems and methods for the generation of energy using thermophotovoltaic cells are described. Also described are systems and methods for selectively emitting electromagnetic radiation from an emitter for use in thermophotovoltaic energy generation systems. In at least some of the inventive energy generation systems and methods, a voltage applied to the thermophotovoltaic cell (e.g., to enhance the power produced by the cell) can be adjusted to enhance system performance. Certain embodiments of the systems and methods described herein can be used to generate energy relatively efficiently.

Method for energy recovery of spent ERL beams

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

Marhauser, Frank; Hannon, Fay; Rimmer, Robert

A method for recovering energy from spent energy recovered linac (ERL) beams. The method includes adding a plurality of passive decelerating cavities at the beam dump of the ERL, adding one or more coupling waveguides between the passive decelerating cavities, setting an adequate external Q (Qext) to adjust to the beam loading situation, and extracting the RF energy through the coupling waveguides.

Multiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting Schemes

PubMed Central

2015-01-01

The reliability of free energy simulations (FES) is limited by two factors: (a) the need for correct sampling and (b) the accuracy of the computational method employed. Classical methods (e.g., force fields) are typically used for FES and present a myriad of challenges, with parametrization being a principle one. On the other hand, parameter-free quantum mechanical (QM) methods tend to be too computationally expensive for adequate sampling. One widely used approach is a combination of methods, where the free energy difference between the two end states is computed by, e.g., molecular mechanics (MM), and the end states are corrected by more accurate methods, such as QM or hybrid QM/MM techniques. Here we report two new approaches that significantly improve the aforementioned scheme; with a focus on how to compute corrections between, e.g., the MM and the more accurate QM calculations. First, a molecular dynamics trajectory that properly samples relevant conformational degrees of freedom is generated. Next, potential energies of each trajectory frame are generated with a QM or QM/MM Hamiltonian. Free energy differences are then calculated based on the QM or QM/MM energies using either a non-Boltzmann Bennett approach (QM-NBB) or non-Boltzmann free energy perturbation (NB-FEP). Both approaches are applied to calculate relative and absolute solvation free energies in explicit and implicit solvent environments. Solvation free energy differences (relative and absolute) between ethane and methanol in explicit solvent are used as the initial test case for QM-NBB. Next, implicit solvent methods are employed in conjunction with both QM-NBB and NB-FEP to compute absolute solvation free energies for 21 compounds. These compounds range from small molecules such as ethane and methanol to fairly large, flexible solutes, such as triacetyl glycerol. Several technical aspects were investigated. Ultimately some best practices are suggested for improving methods that seek to connect

Multiscale Free Energy Simulations: An Efficient Method for Connecting Classical MD Simulations to QM or QM/MM Free Energies Using Non-Boltzmann Bennett Reweighting Schemes.

PubMed

König, Gerhard; Hudson, Phillip S; Boresch, Stefan; Woodcock, H Lee

2014-04-08

THE RELIABILITY OF FREE ENERGY SIMULATIONS (FES) IS LIMITED BY TWO FACTORS: (a) the need for correct sampling and (b) the accuracy of the computational method employed. Classical methods (e.g., force fields) are typically used for FES and present a myriad of challenges, with parametrization being a principle one. On the other hand, parameter-free quantum mechanical (QM) methods tend to be too computationally expensive for adequate sampling. One widely used approach is a combination of methods, where the free energy difference between the two end states is computed by, e.g., molecular mechanics (MM), and the end states are corrected by more accurate methods, such as QM or hybrid QM/MM techniques. Here we report two new approaches that significantly improve the aforementioned scheme; with a focus on how to compute corrections between, e.g., the MM and the more accurate QM calculations. First, a molecular dynamics trajectory that properly samples relevant conformational degrees of freedom is generated. Next, potential energies of each trajectory frame are generated with a QM or QM/MM Hamiltonian. Free energy differences are then calculated based on the QM or QM/MM energies using either a non-Boltzmann Bennett approach (QM-NBB) or non-Boltzmann free energy perturbation (NB-FEP). Both approaches are applied to calculate relative and absolute solvation free energies in explicit and implicit solvent environments. Solvation free energy differences (relative and absolute) between ethane and methanol in explicit solvent are used as the initial test case for QM-NBB. Next, implicit solvent methods are employed in conjunction with both QM-NBB and NB-FEP to compute absolute solvation free energies for 21 compounds. These compounds range from small molecules such as ethane and methanol to fairly large, flexible solutes, such as triacetyl glycerol. Several technical aspects were investigated. Ultimately some best practices are suggested for improving methods that seek to connect

Frequency Rectification Applied to Piezoelectric Energy Harvesting and Improving Available Power of Piezoelectric Motors

NASA Astrophysics Data System (ADS)

Kuroda, Kazuaki; LCGT Collaboration

Piezoelectric materials are just now, within the last decade, coming into their own as a commercial material. Capable of converting energy from the mechanical domain to the electrical domain; piezos are ideal sensors, vibration dampers, energy harvesters, and actuators. Frequency rectification, or the conversion of small, high frequency piezoelectric vibrations into useful low frequency actuation, is required to obtain widespread industrial use of piezoelectric devices. This work examines three manifestations of piezoelectric frequency rectification: energy harvesting, a hydraulic motor, and friction based commercial-off-the-shelf motors. An energy harvesting device is developed, manufactured, and tested in this work, resulting in the development of a high Energy Density (J/m 3), high Power Density (W/m3) energy harvester. The device is shown to have an Energy Density nearly twice that of a similar conventional energy harvesting device. The result of this work is the development of an energy harvesting system that generates more energy in a given volume of piezoelectric material, opening the possibility of miniaturization of energy harvesting devices. Also presented is an effort to integrate a high frequency, high flow rate micromachined valve array into a PiezoHydraulic Pump (PHP), enabling resonant operation of the PHP. Currently, the device is limited by the resonant frequency of the proprietary passive check valves. The PHP is fully characterized, and the microvalve array is tested to determine its resonant frequency in a fluid medium. The valve testing resulted in a resonant frequency of 6.9 kHz, slightly lower than the target operating frequency of 10 kHz. Finally, the results of an examination of frequency rectification as applied to COTS piezoelectric motors are presented. Currently, motors are almost universally characterized based upon their available mechanical power. A better comparison is one based upon the actual Energy Density of the piezoelectric

Comparison of three methods to reduce energy density. Effects on daily energy intake.

PubMed

Williams, Rachel A; Roe, Liane S; Rolls, Barbara J

2013-07-01

Reductions in food energy density can decrease energy intake, but it is not known if the effects depend on the way that energy density is reduced. We investigated whether three methods of reducing energy density (decreasing fat, increasing fruit and vegetables, and adding water) differed in their effects on energy intake across the day. In a crossover design, 59 adults ate breakfast, lunch, and dinner in the laboratory once a week for 4 weeks. Across conditions, the entrées were either standard in energy density or were reduced in energy density by 20% using one of the three methods. Each meal included a manipulated entrée along with unmanipulated side dishes, and all foods were consumed ad libitum. Reducing the energy density of entrées significantly decreased daily energy intake compared to standard entrées (mean intake 2667 ± 77 kcal/day; 11,166 ± 322 kJ/day). The mean decrease was 396 ± 44 kcal/day (1658 ± 184 kJ/day) when fat was reduced, 308 ± 41 kcal/day (1290 ± 172 kJ/day) when fruit and vegetables were increased, and 230 ± 35 kcal/day (963 ± 147 kJ/day) when water was added. Daily energy intake was lower when fat was decreased compared to the other methods. These findings indicate that a variety of diet compositions can be recommended to reduce overall dietary energy density in order to moderate energy intake. Copyright © 2013 Elsevier Ltd. All rights reserved.

The method of averages applied to the KS differential equations

NASA Technical Reports Server (NTRS)

Graf, O. F., Jr.; Mueller, A. C.; Starke, S. E.

1977-01-01

A new approach for the solution of artificial satellite trajectory problems is proposed. The basic idea is to apply an analytical solution method (the method of averages) to an appropriate formulation of the orbital mechanics equations of motion (the KS-element differential equations). The result is a set of transformed equations of motion that are more amenable to numerical solution.

Investigation on the energy spectrums of electrons in atmospheric pressure argon plasma jets and their dependences on the applied voltage

NASA Astrophysics Data System (ADS)

Chen, Xinxian; Tan, Zhenyu; Liu, Yadi; Li, Xiaotong; Pan, Jie; Wang, Xiaolong

2017-08-01

This work presents a systematical investigation on the spatiotemporal evolution of the energy spectrum of electrons in atmospheric pressure argon plasma jets and its dependence on the applied voltage. The investigations are carried out by means of the numerical simulation based on a particle-in-cell Monte-Carlo collision model. The characteristics of the spatiotemporal evolution of the energy spectrum of electrons (ESE) in the discharge space have been presented, and especially the mechanisms of inducing these characteristics have also been revealed. The present work shows the following conclusions. In the evolution of ESE, there is a characteristic time under each applied voltage. Before the characteristic time, the peak value of ESE decreases, the peak position shifts toward high energy, and the distribution of ESE becomes wider and wider, but the reverse is true after the characteristic time. The formation of these characteristics can be mainly attributed to the transport of electrons toward a low electric field as well as a balance between the energy gained from the electric field including the effect of space charges and the energy loss due to inelastic collisions in the process of electron transport. The characteristic time decreases with the applied voltage. In addition, the average energy of electrons at the characteristic time can be increased by enhancing the applied voltage. The results presented in this work are of importance for regulating and controlling the energy of electrons in the plasma jets applied to plasma medicine.

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.

Enhancement of power output by a new stress-applied mode on circular piezoelectric energy harvester

NASA Astrophysics Data System (ADS)

Shu, Fangming; Yang, Tongqing; Liu, Yaoze

2018-04-01

A new stress-applied mode is proposed on piezoelectric circular diaphragm energy harvester. Differing from the usual mode used in previous researches, the mass stick at the center of the diaphragm (PZT-51) is designed into an annular hollow shape. In this case, stress of the mass is applied along the edge of the copper sheet. A screw bonded with the undersurface of the diaphragm transfers force from the vibrator to the diaphragm. This device has a cylindrical shape and its volume is ˜7.9 cm3. With this new stress-applied mode, the piezoelectric energy harvester (with an optimal load of 18 kΩ, a mass of 30 g) could generate a maximum power output of ˜20.8 mW under 9.8 m.s-2 at its resonant frequency of ˜237 Hz. Meanwhile, the greater the hardness ratio between the ceramic and the copper sheet, the greater the advantages of the new structure.

Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments

NASA Astrophysics Data System (ADS)

Mester, Dávid; Nagy, Péter R.; Kállay, Mihály

2018-03-01

A reduced-cost implementation of the second-order algebraic-diagrammatic construction [ADC(2)] method is presented. We introduce approximations by restricting virtual natural orbitals and natural auxiliary functions, which results, on average, in more than an order of magnitude speedup compared to conventional, density-fitting ADC(2) algorithms. The present scheme is the successor of our previous approach [D. Mester, P. R. Nagy, and M. Kállay, J. Chem. Phys. 146, 194102 (2017)], which has been successfully applied to obtain singlet excitation energies with the linear-response second-order coupled-cluster singles and doubles model. Here we report further methodological improvements and the extension of the method to compute singlet and triplet ADC(2) excitation energies and transition moments. The various approximations are carefully benchmarked, and conservative truncation thresholds are selected which guarantee errors much smaller than the intrinsic error of the ADC(2) method. Using the canonical values as reference, we find that the mean absolute error for both singlet and triplet ADC(2) excitation energies is 0.02 eV, while that for oscillator strengths is 0.001 a.u. The rigorous cutoff parameters together with the significantly reduced operation count and storage requirements allow us to obtain accurate ADC(2) excitation energies and transition properties using triple-ζ basis sets for systems of up to one hundred atoms.

Probabilistic Methods for Uncertainty Propagation Applied to Aircraft Design

NASA Technical Reports Server (NTRS)

Green, Lawrence L.; Lin, Hong-Zong; Khalessi, Mohammad R.

2002-01-01

Three methods of probabilistic uncertainty propagation and quantification (the method of moments, Monte Carlo simulation, and a nongradient simulation search method) are applied to an aircraft analysis and conceptual design program to demonstrate design under uncertainty. The chosen example problems appear to have discontinuous design spaces and thus these examples pose difficulties for many popular methods of uncertainty propagation and quantification. However, specific implementation features of the first and third methods chosen for use in this study enable successful propagation of small uncertainties through the program. Input uncertainties in two configuration design variables are considered. Uncertainties in aircraft weight are computed. The effects of specifying required levels of constraint satisfaction with specified levels of input uncertainty are also demonstrated. The results show, as expected, that the designs under uncertainty are typically heavier and more conservative than those in which no input uncertainties exist.

Analysis of single-degree-of-freedom piezoelectric energy harvester with stopper by incremental harmonic balance method

NASA Astrophysics Data System (ADS)

Zhao, Dan; Wang, Xiaoman; Cheng, Yuan; Liu, Shaogang; Wu, Yanhong; Chai, Liqin; Liu, Yang; Cheng, Qianju

2018-05-01

Piecewise-linear structure can effectively broaden the working frequency band of the piezoelectric energy harvester, and improvement of its research can promote the practical process of energy collection device to meet the requirements for powering microelectronic components. In this paper, the incremental harmonic balance (IHB) method is introduced for the complicated and difficult analysis process of the piezoelectric energy harvester to solve these problems. After obtaining the nonlinear dynamic equation of the single-degree-of-freedom piecewise-linear energy harvester by mathematical modeling and the equation is solved based on the IHB method, the theoretical amplitude-frequency curve of open-circuit voltage is achieved. Under 0.2 g harmonic excitation, a piecewise-linear energy harvester is experimentally tested by unidirectional frequency-increasing scanning. The results demonstrate that the theoretical and experimental amplitudes have the same trend, and the width of the working band with high voltage output are 4.9 Hz and 4.7 Hz, respectively, and the relative error is 4.08%. The open-output peak voltage are 21.53 V and 18.25 V, respectively, and the relative error is 15.23%. Since the theoretical value is consistent with the experimental results, the theoretical model and the incremental harmonic balance method used in this paper are suitable for solving single-degree-of-freedom piecewise-linear piezoelectric energy harvester and can be applied to further parameter optimized design.

Applying Quantum Monte Carlo to the Electronic Structure Problem

NASA Astrophysics Data System (ADS)

Powell, Andrew D.; Dawes, Richard

2016-06-01

Two distinct types of Quantum Monte Carlo (QMC) calculations are applied to electronic structure problems such as calculating potential energy curves and producing benchmark values for reaction barriers. First, Variational and Diffusion Monte Carlo (VMC and DMC) methods using a trial wavefunction subject to the fixed node approximation were tested using the CASINO code.[1] Next, Full Configuration Interaction Quantum Monte Carlo (FCIQMC), along with its initiator extension (i-FCIQMC) were tested using the NECI code.[2] FCIQMC seeks the FCI energy for a specific basis set. At a reduced cost, the efficient i-FCIQMC method can be applied to systems in which the standard FCIQMC approach proves to be too costly. Since all of these methods are statistical approaches, uncertainties (error-bars) are introduced for each calculated energy. This study tests the performance of the methods relative to traditional quantum chemistry for some benchmark systems. References: [1] R. J. Needs et al., J. Phys.: Condensed Matter 22, 023201 (2010). [2] G. H. Booth et al., J. Chem. Phys. 131, 054106 (2009).

An Applied Method for Predicting the Load-Carrying Capacity in Compression of Thin-Wall Composite Structures with Impact Damage

NASA Astrophysics Data System (ADS)

Mitrofanov, O.; Pavelko, I.; Varickis, S.; Vagele, A.

2018-03-01

The necessity for considering both strength criteria and postbuckling effects in calculating the load-carrying capacity in compression of thin-wall composite structures with impact damage is substantiated. An original applied method ensuring solution of these problems with an accuracy sufficient for practical design tasks is developed. The main advantage of the method is its applicability in terms of computing resources and the set of initial data required. The results of application of the method to solution of the problem of compression of fragments of thin-wall honeycomb panel damaged by impacts of various energies are presented. After a comparison of calculation results with experimental data, a working algorithm for calculating the reduction in the load-carrying capacity of a composite object with impact damage is adopted.

Joint the Center for Applied Scientific Computing

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

Gamblin, Todd; Bremer, Timo; Van Essen, Brian

The Center for Applied Scientific Computing serves as Livermore Lab’s window to the broader computer science, computational physics, applied mathematics, and data science research communities. In collaboration with academic, industrial, and other government laboratory partners, we conduct world-class scientific research and development on problems critical to national security. CASC applies the power of high-performance computing and the efficiency of modern computational methods to the realms of stockpile stewardship, cyber and energy security, and knowledge discovery for intelligence applications.

Optimization methods applied to hybrid vehicle design

NASA Technical Reports Server (NTRS)

Donoghue, J. F.; Burghart, J. H.

1983-01-01

The use of optimization methods as an effective design tool in the design of hybrid vehicle propulsion systems is demonstrated. Optimization techniques were used to select values for three design parameters (battery weight, heat engine power rating and power split between the two on-board energy sources) such that various measures of vehicle performance (acquisition cost, life cycle cost and petroleum consumption) were optimized. The apporach produced designs which were often significant improvements over hybrid designs already reported on in the literature. The principal conclusions are as follows. First, it was found that the strategy used to split the required power between the two on-board energy sources can have a significant effect on life cycle cost and petroleum consumption. Second, the optimization program should be constructed so that performance measures and design variables can be easily changed. Third, the vehicle simulation program has a significant effect on the computer run time of the overall optimization program; run time can be significantly reduced by proper design of the types of trips the vehicle takes in a one year period. Fourth, care must be taken in designing the cost and constraint expressions which are used in the optimization so that they are relatively smooth functions of the design variables. Fifth, proper handling of constraints on battery weight and heat engine rating, variables which must be large enough to meet power demands, is particularly important for the success of an optimization study. Finally, the principal conclusion is that optimization methods provide a practical tool for carrying out the design of a hybrid vehicle propulsion system.

Computing resonance energies, widths, and wave functions using a Lanczos method in real arithmetic.

PubMed

Tremblay, Jean Christophe; Carrington, Tucker

2005-06-22

We introduce new ideas for calculating resonance energies and widths. It is shown that a non-Hermitian-Lanczos approach can be used to compute eigenvalues of H+W, where H is the Hamiltonian and W is a complex absorbing potential (CAP), without evaluating complex matrix-vector products. This is done by exploiting the link between a CAP-modified Hamiltonian matrix and a real but nonsymmetric matrix U suggested by Mandelshtam and Neumaier [J. Theor. Comput. Chem. 1, 1 (2002)] and using a coupled-two-term Lanczos procedure. We use approximate resonance eigenvectors obtained from the non-Hermitian-Lanczos algorithm and a very good CAP to obtain very accurate energies and widths without solving eigenvalue problems for many values of the CAP strength parameter and searching for cusps. The method is applied to the resonances of HCO. We compare properties of the method with those of established approaches.

Development of a CSP plant energy yield calculation tool applying predictive models to analyze plant performance sensitivities

NASA Astrophysics Data System (ADS)

Haack, Lukas; Peniche, Ricardo; Sommer, Lutz; Kather, Alfons

2017-06-01

At early project stages, the main CSP plant design parameters such as turbine capacity, solar field size, and thermal storage capacity are varied during the techno-economic optimization to determine most suitable plant configurations. In general, a typical meteorological year with at least hourly time resolution is used to analyze each plant configuration. Different software tools are available to simulate the annual energy yield. Software tools offering a thermodynamic modeling approach of the power block and the CSP thermal cycle, such as EBSILONProfessional®, allow a flexible definition of plant topologies. In EBSILON, the thermodynamic equilibrium for each time step is calculated iteratively (quasi steady state), which requires approximately 45 minutes to process one year with hourly time resolution. For better presentation of gradients, 10 min time resolution is recommended, which increases processing time by a factor of 5. Therefore, analyzing a large number of plant sensitivities, as required during the techno-economic optimization procedure, the detailed thermodynamic simulation approach becomes impracticable. Suntrace has developed an in-house CSP-Simulation tool (CSPsim), based on EBSILON and applying predictive models, to approximate the CSP plant performance for central receiver and parabolic trough technology. CSPsim significantly increases the speed of energy yield calculations by factor ≥ 35 and has automated the simulation run of all predefined design configurations in sequential order during the optimization procedure. To develop the predictive models, multiple linear regression techniques and Design of Experiment methods are applied. The annual energy yield and derived LCOE calculated by the predictive model deviates less than ±1.5 % from the thermodynamic simulation in EBSILON and effectively identifies the optimal range of main design parameters for further, more specific analysis.

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.

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.

Calculation of smooth potential energy surfaces using local electron correlation methods

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

Mata, Ricardo A.; Werner, Hans-Joachim

2006-11-14

The geometry dependence of excitation domains in local correlation methods can lead to noncontinuous potential energy surfaces. We propose a simple domain merging procedure which eliminates this problem in many situations. The method is applied to heterolytic bond dissociations of ketene and propadienone, to SN2 reactions of Cl{sup -} with alkylchlorides, and in a quantum mechanical/molecular mechanical study of the chorismate mutase enzyme. It is demonstrated that smooth potentials are obtained in all cases. Furthermore, basis set superposition error effects are reduced in local calculations, and it is found that this leads to better basis set convergence when computing barriermore » heights or weak interactions. When the electronic structure strongly changes between reactants or products and the transition state, the domain merging procedure leads to a balanced description of all structures and accurate barrier heights.« less

Applying Mixed Methods Research at the Synthesis Level: An Overview

ERIC Educational Resources Information Center

Heyvaert, Mieke; Maes, Bea; Onghena, Patrick

2011-01-01

Historically, qualitative and quantitative approaches have been applied relatively separately in synthesizing qualitative and quantitative evidence, respectively, in several research domains. However, mixed methods approaches are becoming increasingly popular nowadays, and practices of combining qualitative and quantitative research components at…

Gunshot energy transfer profile in ballistic gelatine, determined with computed tomography using the total crack length method.

PubMed

Bolliger, Stephan A; Thali, Michael J; Bolliger, Michael J; Kneubuehl, Beat P

2010-11-01

By measuring the total crack lengths (TCL) along a gunshot wound channel simulated in ordnance gelatine, one can calculate the energy transferred by a projectile to the surrounding tissue along its course. Visual quantitative TCL analysis of cut slices in ordnance gelatine blocks is unreliable due to the poor visibility of cracks and the likely introduction of secondary cracks resulting from slicing. Furthermore, gelatine TCL patterns are difficult to preserve because of the deterioration of the internal structures of gelatine with age and the tendency of gelatine to decompose. By contrast, using computed tomography (CT) software for TCL analysis in gelatine, cracks on 1-cm thick slices can be easily detected, measured and preserved. In this, experiment CT TCL analyses were applied to gunshots fired into gelatine blocks by three different ammunition types (9-mm Luger full metal jacket, .44 Remington Magnum semi-jacketed hollow point and 7.62 × 51 RWS Cone-Point). The resulting TCL curves reflected the three projectiles' capacity to transfer energy to the surrounding tissue very accurately and showed clearly the typical energy transfer differences. We believe that CT is a useful tool in evaluating gunshot wound profiles using the TCL method and is indeed superior to conventional methods applying physical slicing of the gelatine.

Graph theory applied to noise and vibration control in statistical energy analysis models.

PubMed

Guasch, Oriol; Cortés, Lluís

2009-06-01

A fundamental aspect of noise and vibration control in statistical energy analysis (SEA) models consists in first identifying and then reducing the energy flow paths between subsystems. In this work, it is proposed to make use of some results from graph theory to address both issues. On the one hand, linear and path algebras applied to adjacency matrices of SEA graphs are used to determine the existence of any order paths between subsystems, counting and labeling them, finding extremal paths, or determining the power flow contributions from groups of paths. On the other hand, a strategy is presented that makes use of graph cut algorithms to reduce the energy flow from a source subsystem to a receiver one, modifying as few internal and coupling loss factors as possible.

Student ability to apply the concepts of work and energy to extended systems

NASA Astrophysics Data System (ADS)

Lindsey, Beth A.; Heron, Paula R. L.; Shaffer, Peter S.

2009-11-01

We report results from an investigation of student ability to apply the concepts of work and energy to situations in which the internal structure of a system cannot be ignored, that is, the system cannot be treated as a particle. Students in introductory calculus-based physics courses were asked written and online questions after relevant instruction by lectures, textbook, and laboratory. Several difficulties were identified. Some related to student ability to calculate the work done on a system. Failure to associate work with the change in energy of a system was also widespread. The results have implications for instruction that aims for a rigorous treatment of energy concepts that is consistent with the first law of thermodynamics. The findings are guiding the development of two tutorials to supplement instruction.

A novel energy conversion based method for velocity correction in molecular dynamics simulations

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

Jin, Hanhui; Collaborative Innovation Center of Advanced Aero-Engine, Hangzhou 310027; Liu, Ningning

2017-05-01

Molecular dynamics (MD) simulation has become an important tool for studying micro- or nano-scale dynamics and the statistical properties of fluids and solids. In MD simulations, there are mainly two approaches: equilibrium and non-equilibrium molecular dynamics (EMD and NEMD). In this paper, a new energy conversion based correction (ECBC) method for MD is developed. Unlike the traditional systematic correction based on macroscopic parameters, the ECBC method is developed strictly based on the physical interaction processes between the pair of molecules or atoms. The developed ECBC method can apply to EMD and NEMD directly. While using MD with this method, themore » difference between the EMD and NEMD is eliminated, and no macroscopic parameters such as external imposed potentials or coefficients are needed. With this method, many limits of using MD are lifted. The application scope of MD is greatly extended.« less

R Peak Detection Method Using Wavelet Transform and Modified Shannon Energy Envelope

PubMed Central

2017-01-01

Rapid automatic detection of the fiducial points—namely, the P wave, QRS complex, and T wave—is necessary for early detection of cardiovascular diseases (CVDs). In this paper, we present an R peak detection method using the wavelet transform (WT) and a modified Shannon energy envelope (SEE) for rapid ECG analysis. The proposed WTSEE algorithm performs a wavelet transform to reduce the size and noise of ECG signals and creates SEE after first-order differentiation and amplitude normalization. Subsequently, the peak energy envelope (PEE) is extracted from the SEE. Then, R peaks are estimated from the PEE, and the estimated peaks are adjusted from the input ECG. Finally, the algorithm generates the final R features by validating R-R intervals and updating the extracted R peaks. The proposed R peak detection method was validated using 48 first-channel ECG records of the MIT-BIH arrhythmia database with a sensitivity of 99.93%, positive predictability of 99.91%, detection error rate of 0.16%, and accuracy of 99.84%. Considering the high detection accuracy and fast processing speed due to the wavelet transform applied before calculating SEE, the proposed method is highly effective for real-time applications in early detection of CVDs. PMID:29065613

R Peak Detection Method Using Wavelet Transform and Modified Shannon Energy Envelope.

PubMed

Park, Jeong-Seon; Lee, Sang-Woong; Park, Unsang

2017-01-01

Rapid automatic detection of the fiducial points-namely, the P wave, QRS complex, and T wave-is necessary for early detection of cardiovascular diseases (CVDs). In this paper, we present an R peak detection method using the wavelet transform (WT) and a modified Shannon energy envelope (SEE) for rapid ECG analysis. The proposed WTSEE algorithm performs a wavelet transform to reduce the size and noise of ECG signals and creates SEE after first-order differentiation and amplitude normalization. Subsequently, the peak energy envelope (PEE) is extracted from the SEE. Then, R peaks are estimated from the PEE, and the estimated peaks are adjusted from the input ECG. Finally, the algorithm generates the final R features by validating R-R intervals and updating the extracted R peaks. The proposed R peak detection method was validated using 48 first-channel ECG records of the MIT-BIH arrhythmia database with a sensitivity of 99.93%, positive predictability of 99.91%, detection error rate of 0.16%, and accuracy of 99.84%. Considering the high detection accuracy and fast processing speed due to the wavelet transform applied before calculating SEE, the proposed method is highly effective for real-time applications in early detection of CVDs.

The equivalent magnetizing method applied to the design of gradient coils for MRI.

PubMed

Lopez, Hector Sanchez; Liu, Feng; Crozier, Stuart

2008-01-01

This paper presents a new method for the design of gradient coils for Magnetic Resonance Imaging systems. The method is based on the equivalence between a magnetized volume surrounded by a conducting surface and its equivalent representation in surface current/charge density. We demonstrate that the curl of the vertical magnetization induces a surface current density whose stream line defines the coil current pattern. This method can be applied for coils wounds on arbitrary surface shapes. A single layer unshielded transverse gradient coil is designed and compared, with the designs obtained using two conventional methods. Through the presented example we demonstrate that the generated unconventional current patterns obtained using the magnetizing current method produces a superior gradient coil performance than coils designed by applying conventional methods.

The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

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

Ma, Jie; Wang, Lin-Wang, E-mail: lwwang@lbl.gov; Liu, Zhen-Fei

2016-06-27

We apply a recently developed Wannier–Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. Our results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method

DOE PAGES

Ma, Jie; Liu, Zhen-Fei; Neaton, Jeffrey B.; ...

2016-06-30

We apply a recently developed Wannier-Koopmans method (WKM), based on density functional theory (DFT), to calculate the electronic energy level alignment at an interface between a molecule and metal substrate. We consider two systems: benzenediamine on Au (111), and a bipyridine-Au molecular junction. The WKM calculated level alignment agrees well with the experimental measurements where available, as well as previous GW and DFT + Σ results. These results suggest that the WKM is a general approach that can be used to correct DFT eigenvalue errors, not only in bulk semiconductors and isolated molecules, but also in hybrid interfaces.

An Aural Learning Project: Assimilating Jazz Education Methods for Traditional Applied Pedagogy

ERIC Educational Resources Information Center

Gamso, Nancy M.

2011-01-01

The Aural Learning Project (ALP) was developed to incorporate jazz method components into the author's classical practice and her applied woodwind lesson curriculum. The primary objective was to place a more focused pedagogical emphasis on listening and hearing than is traditionally used in the classical applied curriculum. The components of the…

Method and apparatus for thermal energy storage. [Patent application

DOEpatents

Gruen, D.M.

1975-08-19

A method and apparatus for storing energy by converting thermal energy to potential chemically bound energy in which a first metal hydride is heated to dissociation temperature, liberating hydrogen gas which is compressed and reacted with a second metal to form a second metal hydride while releasing thermal energy. Cooling the first metal while warming the second metal hydride to dissociation temperature will reverse the flow of hydrogen gas back to the first metal, releasing additional thermal energy. The method and apparatus are particularly useful for the storage and conversion of thermal energy from solar heat sources and for the utilization of this energy for space heating purposes, such as for homes or offices.

A low-cost method for estimating energy expenditure during soccer refereeing.

PubMed

Ardigò, Luca Paolo; Padulo, Johnny; Zuliani, Andrea; Capelli, Carlo

2015-01-01

This study aimed to apply a validated bioenergetics model of sprint running to recordings obtained from commercial basic high-sensitivity global positioning system receivers to estimate energy expenditure and physical activity variables during soccer refereeing. We studied five Italian fifth division referees during 20 official matches while carrying the receivers. By applying the model to the recorded speed and acceleration data, we calculated energy consumption during activity, mass-normalised total energy consumption, total distance, metabolically equivalent distance and their ratio over the entire match and the two halves. Main results were as follows: (match) energy consumption = 4729 ± 608 kJ, mass normalised total energy consumption = 74 ± 8 kJ · kg(-1), total distance = 13,112 ± 1225 m, metabolically equivalent distance = 13,788 ± 1151 m and metabolically equivalent/total distance = 1.05 ± 0.05. By using a very low-cost device, it is possible to estimate the energy expenditure of soccer refereeing. The provided predicting mass-normalised total energy consumption versus total distance equation can supply information about soccer refereeing energy demand.

Spacecraft Dynamic Characterization by Strain Energies Method

NASA Astrophysics Data System (ADS)

Bretagne, J.-M.; Fragnito, M.; Massier, S.

2002-01-01

In the last years the significant increase in satellite broadcasting demand, with the wide band communication dawn, has given a great impulse to the telecommunication satellite market. The big demand is translated from operators (such as SES/Astra, Eutelsat, Intelsat, Inmarsat, EuroSkyWay etc.) in an increase of orders of telecom satellite to the world industrials. The largest part of these telecom satellite orders consists of Geostationary platforms which grow more and more in mass (over 5 tons) due to an ever longer demanded lifetime (up to 20 years), and become more complex due to the need of implementing an ever larger number of repeaters, antenna reflectors and feeds, etc... In this frame, the mechanical design and verification of these large spacecraft become difficult and ambitious at the same time, driven by the dry mass limitation objective. By the Finite Element Method (FEM), and on the basis of the telecom satellite heritage of a world leader constructor such as Alcatel Space Industries it is nowadays possible to model these spacecraft in a realistic and confident way in order to identify the main global dynamic aspects such as mode shapes, mass participation and/or dynamic responses. But on the other hand, one of the main aims consists in identifying soon in a program the most critical aspects of the system behavior in the launch dynamic environment, such as possible dynamic coupling between the different subsystems and secondary structures of the spacecraft (large deployable reflectors, thrusters, etc.). To this aim a numerical method has been developed in the frame of the Alcatel SPACEBUS family program, using MSC/Nastran capabilities and it is presented in this paper. The method is based on Spacecraft sub-structuring and strain energy calculation. The method mainly consists of two steps : 1) subsystem modal strain energy ratio (with respect to the global strain energy); 2) subsystem strain energy calculation for each mode according to the base driven

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.

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.

Meshless Lagrangian SPH method applied to isothermal lid-driven cavity flow at low-Re numbers

NASA Astrophysics Data System (ADS)

Fraga Filho, C. A. D.; Chacaltana, J. T. A.; Pinto, W. J. N.

2018-01-01

SPH is a recent particle method applied in the cavities study, without many results available in the literature. The lid-driven cavity flow is a classic problem of the fluid mechanics, extensively explored in the literature and presenting a considerable complexity. The aim of this paper is to present a solution from the Lagrangian viewpoint for this problem. The discretization of the continuum domain is performed using the Lagrangian particles. The physical laws of mass, momentum and energy conservation are presented by the Navier-Stokes equations. A serial numerical code, written in Fortran programming language, has been used to perform the numerical simulations. The application of the SPH and comparison with the literature (mesh methods and a meshless collocation method) have been done. The positions of the primary vortex centre and the non-dimensional velocity profiles passing through the geometric centre of the cavity have been analysed. The numerical Lagrangian results showed a good agreement when compared to the results found in the literature, specifically for { Re} < 100.00 . Suggestions for improvements in the SPH model presented are listed, in the search for better results for flows with higher Reynolds numbers.

The method of planning the energy consumption for electricity market

NASA Astrophysics Data System (ADS)

Russkov, O. V.; Saradgishvili, S. E.

2017-10-01

The limitations of existing forecast models are defined. The offered method is based on game theory, probabilities theory and forecasting the energy prices relations. New method is the basis for planning the uneven energy consumption of industrial enterprise. Ecological side of the offered method is disclosed. The program module performed the algorithm of the method is described. Positive method tests at the industrial enterprise are shown. The offered method allows optimizing the difference between planned and factual consumption of energy every hour of a day. The conclusion about applicability of the method for addressing economic and ecological challenges is made.

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.

The Role of Applied Epidemiology Methods in the Disaster Management Cycle

PubMed Central

Heumann, Michael; Perrotta, Dennis; Wolkin, Amy F.; Schnall, Amy H.; Podgornik, Michelle N.; Cruz, Miguel A.; Horney, Jennifer A.; Zane, David; Roisman, Rachel; Greenspan, Joel R.; Thoroughman, Doug; Anderson, Henry A.; Wells, Eden V.; Simms, Erin F.

2014-01-01

Disaster epidemiology (i.e., applied epidemiology in disaster settings) presents a source of reliable and actionable information for decision-makers and stakeholders in the disaster management cycle. However, epidemiological methods have yet to be routinely integrated into disaster response and fully communicated to response leaders. We present a framework consisting of rapid needs assessments, health surveillance, tracking and registries, and epidemiological investigations, including risk factor and health outcome studies and evaluation of interventions, which can be practiced throughout the cycle. Applying each method can result in actionable information for planners and decision-makers responsible for preparedness, response, and recovery. Disaster epidemiology, once integrated into the disaster management cycle, can provide the evidence base to inform and enhance response capability within the public health infrastructure. PMID:25211748

Further Insight and Additional Inference Methods for Polynomial Regression Applied to the Analysis of Congruence

ERIC Educational Resources Information Center

Cohen, Ayala; Nahum-Shani, Inbal; Doveh, Etti

2010-01-01

In their seminal paper, Edwards and Parry (1993) presented the polynomial regression as a better alternative to applying difference score in the study of congruence. Although this method is increasingly applied in congruence research, its complexity relative to other methods for assessing congruence (e.g., difference score methods) was one of the…

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.

Research on vibration signal of engine based on subband energy method

NASA Astrophysics Data System (ADS)

Wu, Chunmei; Cui, Feng; Zhao, Yong; Fu, Baohong; Ma, Junchi; Yang, Guihua

2017-04-01

Based on the research of DA462 type engine cylinder and cylinder head vibration signal of the surface, the signal measured in the time domain and frequency domain are analyzed in detail, draw the following conclusions: the analysis of vibration signal of the subband energy method is applied to the engine, the concentration response of each of the motivation band can clearly be seen. Through the analysis we can see that the combustion excitation frequency response from 0k to 1K, the vibration influence on the body piston lateral impact force is mainly concentrated in 2K˜5K frequency range of Hz, valve opening and closing the excitation response frequency is mainly concentrated in the 3K˜4K range of Hz, and thus locating the valve clearance fault. This method is simple, accurate and practical for the post processing and analysis of vibration signals.

Optimization of energy window and evaluation of scatter compensation methods in MPS using the ideal observer with model mismatch

NASA Astrophysics Data System (ADS)

Ghaly, Michael; Links, Jonathan M.; Frey, Eric

2015-03-01

In this work, we used the ideal observer (IO) and IO with model mismatch (IO-MM) applied in the projection domain and an anthropomorphic Channelized Hotelling Observer (CHO) applied to reconstructed images to optimize the acquisition energy window width and evaluate various scatter compensation methods in the context of a myocardial perfusion SPECT defect detection task. The IO has perfect knowledge of the image formation process and thus reflects performance with perfect compensation for image-degrading factors. Thus, using the IO to optimize imaging systems could lead to suboptimal parameters compared to those optimized for humans interpreting SPECT images reconstructed with imperfect or no compensation. The IO-MM allows incorporating imperfect system models into the IO optimization process. We found that with near-perfect scatter compensation, the optimal energy window for the IO and CHO were similar; in its absence the IO-MM gave a better prediction of the optimal energy window for the CHO using different scatter compensation methods. These data suggest that the IO-MM may be useful for projection-domain optimization when model mismatch is significant, and that the IO is useful when followed by reconstruction with good models of the image formation process.

Method applied to the background analysis of energy data to be considered for the European Reference Life Cycle Database (ELCD).

PubMed

Fazio, Simone; Garraín, Daniel; Mathieux, Fabrice; De la Rúa, Cristina; Recchioni, Marco; Lechón, Yolanda

2015-01-01

Under the framework of the European Platform on Life Cycle Assessment, the European Reference Life-Cycle Database (ELCD - developed by the Joint Research Centre of the European Commission), provides core Life Cycle Inventory (LCI) data from front-running EU-level business associations and other sources. The ELCD contains energy-related data on power and fuels. This study describes the methods to be used for the quality analysis of energy data for European markets (available in third-party LC databases and from authoritative sources) that are, or could be, used in the context of the ELCD. The methodology was developed and tested on the energy datasets most relevant for the EU context, derived from GaBi (the reference database used to derive datasets for the ELCD), Ecoinvent, E3 and Gemis. The criteria for the database selection were based on the availability of EU-related data, the inclusion of comprehensive datasets on energy products and services, and the general approval of the LCA community. The proposed approach was based on the quality indicators developed within the International Reference Life Cycle Data System (ILCD) Handbook, further refined to facilitate their use in the analysis of energy systems. The overall Data Quality Rating (DQR) of the energy datasets can be calculated by summing up the quality rating (ranging from 1 to 5, where 1 represents very good, and 5 very poor quality) of each of the quality criteria indicators, divided by the total number of indicators considered. The quality of each dataset can be estimated for each indicator, and then compared with the different databases/sources. The results can be used to highlight the weaknesses of each dataset and can be used to guide further improvements to enhance the data quality with regard to the established criteria. This paper describes the application of the methodology to two exemplary datasets, in order to show the potential of the methodological approach. The analysis helps LCA

The new energy management policy: Indonesian PSC-gross-split applied on steam flooding project

NASA Astrophysics Data System (ADS)

Irham, S.; Julyus, P.

2018-01-01

“SIPY” oil field has been producing oil using steam flooding technology since 1992 under the PSC-Cost-Recovery policy. In 2021, the contract will be finished, and a new agreement must be submitted to the Indonesian government. There are two applied fiscal policies on oil and gas management: PSC-Cost-Recovery and PSC-Gross-Split (introduced in 2017 as the new energy management plan). The contractor must choose between PSC-Cost-Recovery and PSC-Gross-split which makes more profit. The aim of this research is to determine the best oil and gas contract policy for the contractor. The methods are calculating contractor cash flow and comparing the Profitability Indexes. The results of this study are (1) Net Present Values for the PSC-Cost-Recovery and the PSC-Gross-Split are 15 MMUS and 61 MMUS, respectively; and (2) Internal Rate of Return values for the PSC-Cost-Recovery and PSC-Gross-Split are 10% and 11%, respectively. The conclusion is that the Net Present Value and Internal Rate of Return of PSC-Gross-Split are greater than those of PSC-Cost-Recovery, but in Pay Out Time of PSC-Gross-split is longer than Pay Out Time in PSC-Cost-Recovery. Thus, the new energy management policy will be more attractive than PSC-Cost-Recovery.

Energy/dissipation-preserving Birkhoffian multi-symplectic methods for Maxwell's equations with dissipation terms

DOE PAGES

Su, Hongling; Li, Shengtai

2016-02-03

In this study, we propose two new energy/dissipation-preserving Birkhoffian multi-symplectic methods (Birkhoffian and Birkhoffian box) for Maxwell's equations with dissipation terms. After investigating the non-autonomous and autonomous Birkhoffian formalism for Maxwell's equations with dissipation terms, we first apply a novel generating functional theory to the non-autonomous Birkhoffian formalism to propose our Birkhoffian scheme, and then implement a central box method to the autonomous Birkhoffian formalism to derive the Birkhoffian box scheme. We have obtained four formal local conservation laws and three formal energy global conservation laws. We have also proved that both of our derived schemes preserve the discrete versionmore » of the global/local conservation laws. Furthermore, the stability, dissipation and dispersion relations are also investigated for the schemes. Theoretical analysis shows that the schemes are unconditionally stable, dissipation-preserving for Maxwell's equations in a perfectly matched layer (PML) medium and have second order accuracy in both time and space. Numerical experiments for problems with exact theoretical results are given to demonstrate that the Birkhoffian multi-symplectic schemes are much more accurate in preserving energy than both the exponential finite-difference time-domain (FDTD) method and traditional Hamiltonian scheme. Finally, we also solve the electromagnetic pulse (EMP) propagation problem and the numerical results show that the Birkhoffian scheme recovers the magnitude of the current source and reaction history very well even after long time propagation.« less

Energy/dissipation-preserving Birkhoffian multi-symplectic methods for Maxwell's equations with dissipation terms

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

Su, Hongling; Li, Shengtai

In this study, we propose two new energy/dissipation-preserving Birkhoffian multi-symplectic methods (Birkhoffian and Birkhoffian box) for Maxwell's equations with dissipation terms. After investigating the non-autonomous and autonomous Birkhoffian formalism for Maxwell's equations with dissipation terms, we first apply a novel generating functional theory to the non-autonomous Birkhoffian formalism to propose our Birkhoffian scheme, and then implement a central box method to the autonomous Birkhoffian formalism to derive the Birkhoffian box scheme. We have obtained four formal local conservation laws and three formal energy global conservation laws. We have also proved that both of our derived schemes preserve the discrete versionmore » of the global/local conservation laws. Furthermore, the stability, dissipation and dispersion relations are also investigated for the schemes. Theoretical analysis shows that the schemes are unconditionally stable, dissipation-preserving for Maxwell's equations in a perfectly matched layer (PML) medium and have second order accuracy in both time and space. Numerical experiments for problems with exact theoretical results are given to demonstrate that the Birkhoffian multi-symplectic schemes are much more accurate in preserving energy than both the exponential finite-difference time-domain (FDTD) method and traditional Hamiltonian scheme. Finally, we also solve the electromagnetic pulse (EMP) propagation problem and the numerical results show that the Birkhoffian scheme recovers the magnitude of the current source and reaction history very well even after long time propagation.« less

Evaluation of energy balance closure adjustment methods by independent evapotranspiration estimates from lysimeters and hydrological simulations

DOE PAGES

Mauder, Matthias; Genzel, Sandra; Fu, Jin; ...

2017-11-10

Here, we report non-closure of the surface energy balance is a frequently observed phenomenon of hydrometeorological field measurements, when using the eddy-covariance method, which can be ascribed to an underestimation of the turbulent fluxes. Several approaches have been proposed in order to adjust the measured fluxes for this apparent systematic error. However, there are uncertainties about partitioning of the energy balance residual between the sensible and latent heat flux and whether such a correction should be applied on 30-minute data or longer time scales. The data for this study originate from two grassland sites in southern Germany, where measurements frommore » weighable lysimeters are available as reference. The adjusted evapotranspiration rates are also compared with joint energy and water balance simulations using a physically-based distributed hydrological model. We evaluate two adjustment methods: the first one preserves the Bowen ratio and the correction factor is determined on a daily basis. The second one attributes a smaller portion of the residual energy to the latent heat flux than to the sensible heat flux for closing the energy balance for every 30-minute flux integration interval. Both methods lead to an improved agreement of the eddy-covariance based fluxes with the independent lysimeter estimates and the physically-based model simulations. The first method results in a better comparability of evapotranspiration rates, and the second method leads to a smaller overall bias. These results are similar between both sites despite considerable differences in terrain complexity and grassland management. Moreover, we found that a daily adjustment factor leads to less scatter than a complete partitioning of the residual for every half-hour time interval. Lastly, the vertical temperature gradient in the surface layer and friction velocity were identified as important predictors for a potential future parameterization of the energy balance

Evaluation of energy balance closure adjustment methods by independent evapotranspiration estimates from lysimeters and hydrological simulations

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

Mauder, Matthias; Genzel, Sandra; Fu, Jin

Here, we report non-closure of the surface energy balance is a frequently observed phenomenon of hydrometeorological field measurements, when using the eddy-covariance method, which can be ascribed to an underestimation of the turbulent fluxes. Several approaches have been proposed in order to adjust the measured fluxes for this apparent systematic error. However, there are uncertainties about partitioning of the energy balance residual between the sensible and latent heat flux and whether such a correction should be applied on 30-minute data or longer time scales. The data for this study originate from two grassland sites in southern Germany, where measurements frommore » weighable lysimeters are available as reference. The adjusted evapotranspiration rates are also compared with joint energy and water balance simulations using a physically-based distributed hydrological model. We evaluate two adjustment methods: the first one preserves the Bowen ratio and the correction factor is determined on a daily basis. The second one attributes a smaller portion of the residual energy to the latent heat flux than to the sensible heat flux for closing the energy balance for every 30-minute flux integration interval. Both methods lead to an improved agreement of the eddy-covariance based fluxes with the independent lysimeter estimates and the physically-based model simulations. The first method results in a better comparability of evapotranspiration rates, and the second method leads to a smaller overall bias. These results are similar between both sites despite considerable differences in terrain complexity and grassland management. Moreover, we found that a daily adjustment factor leads to less scatter than a complete partitioning of the residual for every half-hour time interval. Lastly, the vertical temperature gradient in the surface layer and friction velocity were identified as important predictors for a potential future parameterization of the energy balance

Hydration property of globular proteins: An analysis of solvation free energy by energy representation method

NASA Astrophysics Data System (ADS)

Saito, Hiroaki; Matubayasi, Nobuyuki; Nishikawa, Kiyoshi; Nagao, Hidemi

2010-09-01

Molecular dynamics simulations and solvation free energy calculations of five globular proteins (BPTI, RNase A, Lysozyme, β-lactoglobulin A, and α-chymotrypsinogen A) have been carried out to elucidate the hydration properties. Solvation free energies of the proteins with explicit solvent were estimated by energy representation (ER) method. The calculated solvation free energies were correlated with the solvent accessible surface area of hydrophilic portion, being consistent with the hydrophilic property of the proteins. These results showed that the ER method should be a powerful tool for estimating the hydration property of proteins, showing a progress of the free energy calculation with explicit solvent.

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 3 2010-01-01 2010-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2011 CFR

2011-01-01

... 10 Energy 3 2011-01-01 2011-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2013 CFR

2013-01-01

... 10 Energy 3 2013-01-01 2013-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2012 CFR

2012-01-01

... 10 Energy 3 2012-01-01 2012-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

10 CFR 207.3 - Method of collecting energy information under ESECA.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 3 2014-01-01 2014-01-01 false Method of collecting energy information under ESECA. 207.3 Section 207.3 Energy DEPARTMENT OF ENERGY OIL COLLECTION OF INFORMATION Collection of Information Under the Energy Supply and Environmental Coordination Act of 1974 § 207.3 Method of collecting energy...

Solar energy utilization by physical methods.

PubMed

Wolf, M

1974-04-19

On the basis of the estimated contributions of these differing methods of the utilization of solar energy, their total energy delivery impact on the projected U.S. energy economy (9) can be evaluated (Fig. 5). Despite this late energy impact, the actual sales of solar energy utilization equipment will be significant at an early date. Potential sales in photovoltaic arrays alone could exceed $400 million by 1980, in order to meet the projected capacity buildup (10). Ultimately, the total energy utilization equipment industry should attain an annual sales volume of several tens of billion dollars in the United States, comparable to that of several other energy related industries. Varying amounts of technology development are required to assure the technical and economic feasibility of the different solar energy utilization methods. Several of these developments are far enough along that the paths can be analyzed from the present time to the time of demonstration of technical and economic feasibility, and from there to production and marketing readiness. After that point, a period of market introduction will follow, which will differ in duration according to the type of market addressed. It may be noted that the present rush to find relief from the current energy problem, or to be an early leader in entering a new market, can entail shortcuts in sound engineering practice, particularly in the areas of design for durability and easy maintenance, or of proper application engineering. The result can be loss of customer acceptance, as has been experienced in the past with various products, including solar water heaters. Since this could cause considerable delay in achieving the expected total energy impact, it will be important to spend adequate time at this stage for thorough development. Two other aspects are worth mentioning. The first is concerned with the economic impacts. Upon reflection on this point, one will observe that largescale solar energy utilization will

Non-invasive imaging methods applied to neo- and paleo-ontological cephalopod research

NASA Astrophysics Data System (ADS)

Hoffmann, R.; Schultz, J. A.; Schellhorn, R.; Rybacki, E.; Keupp, H.; Gerden, S. R.; Lemanis, R.; Zachow, S.

2014-05-01

Several non-invasive methods are common practice in natural sciences today. Here we present how they can be applied and contribute to current topics in cephalopod (paleo-) biology. Different methods will be compared in terms of time necessary to acquire the data, amount of data, accuracy/resolution, minimum/maximum size of objects that can be studied, the degree of post-processing needed and availability. The main application of the methods is seen in morphometry and volumetry of cephalopod shells. In particular we present a method for precise buoyancy calculation. Therefore, cephalopod shells were scanned together with different reference bodies, an approach developed in medical sciences. It is necessary to know the volume of the reference bodies, which should have similar absorption properties like the object of interest. Exact volumes can be obtained from surface scanning. Depending on the dimensions of the study object different computed tomography techniques were applied.

Increasing energy efficiency level of building production based on applying modern mechanization facilities

NASA Astrophysics Data System (ADS)

Prokhorov, Sergey

2017-10-01

Building industry in a present day going through the hard times. Machine and mechanism exploitation cost, on a field of construction and installation works, takes a substantial part in total building construction expenses. There is a necessity to elaborate high efficient method, which allows not only to increase production, but also to reduce direct costs during machine fleet exploitation, and to increase its energy efficiency. In order to achieve the goal we plan to use modern methods of work production, hi-tech and energy saving machine tools and technologies, and use of optimal mechanization sets. As the optimization criteria there are exploitation prime cost and set efficiency. During actual task-solving process we made a conclusion, which shows that mechanization works, energy audit with production juxtaposition, prime prices and costs for energy resources allow to make complex machine fleet supply, improve ecological level and increase construction and installation work quality.

Comparing Waste-to-Energy technologies by applying energy system analysis.

PubMed

Münster, Marie; Lund, Henrik

2010-07-01

Even when policies of waste prevention, re-use and recycling are prioritised, a fraction of waste will still be left which can be used for energy recovery. This article asks the question: How to utilise waste for energy in the best way seen from an energy system perspective? Eight different Waste-to-Energy technologies are compared with a focus on fuel efficiency, CO(2) reductions and costs. The comparison is carried out by conducting detailed energy system analyses of the present as well as a potential future Danish energy system with a large share of combined heat and power as well as wind power. The study shows potential of using waste for the production of transport fuels. Biogas and thermal gasification technologies are hence interesting alternatives to waste incineration and it is recommended to support the use of biogas based on manure and organic waste. It is also recommended to support research into gasification of waste without the addition of coal and biomass. Together the two solutions may contribute to alternate use of one third of the waste which is currently incinerated. The remaining fractions should still be incinerated with priority to combined heat and power plants with high electric efficiency. Copyright (c) 2009 Elsevier Ltd. All rights reserved.

Dark Energy Survey Year 1 results: cross-correlation redshifts - methods and systematics characterization

NASA Astrophysics Data System (ADS)

Gatti, M.; Vielzeuf, P.; Davis, C.; Cawthon, R.; Rau, M. M.; DeRose, J.; De Vicente, J.; Alarcon, A.; Rozo, E.; Gaztanaga, E.; Hoyle, B.; Miquel, R.; Bernstein, G. M.; Bonnett, C.; Carnero Rosell, A.; Castander, F. J.; Chang, C.; da Costa, L. N.; Gruen, D.; Gschwend, J.; Hartley, W. G.; Lin, H.; MacCrann, N.; Maia, M. A. G.; Ogando, R. L. C.; Roodman, A.; Sevilla-Noarbe, I.; Troxel, M. A.; Wechsler, R. H.; Asorey, J.; Davis, T. M.; Glazebrook, K.; Hinton, S. R.; Lewis, G.; Lidman, C.; Macaulay, E.; Möller, A.; O'Neill, C. R.; Sommer, N. E.; Uddin, S. A.; Yuan, F.; Zhang, B.; Abbott, T. M. C.; Allam, S.; Annis, J.; Bechtol, K.; Brooks, D.; Burke, D. L.; Carollo, D.; Carrasco Kind, M.; Carretero, J.; Cunha, C. E.; D'Andrea, C. B.; DePoy, D. L.; Desai, S.; Eifler, T. F.; Evrard, A. E.; Flaugher, B.; Fosalba, P.; Frieman, J.; García-Bellido, J.; Gerdes, D. W.; Goldstein, D. A.; Gruendl, R. A.; Gutierrez, G.; Honscheid, K.; Hoormann, J. K.; Jain, B.; James, D. J.; Jarvis, M.; Jeltema, T.; Johnson, M. W. G.; Johnson, M. D.; Krause, E.; Kuehn, K.; Kuhlmann, S.; Kuropatkin, N.; Li, T. S.; Lima, M.; Marshall, J. L.; Melchior, P.; Menanteau, F.; Nichol, R. C.; Nord, B.; Plazas, A. A.; Reil, K.; Rykoff, E. S.; Sako, M.; Sanchez, E.; Scarpine, V.; Schubnell, M.; Sheldon, E.; Smith, M.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thomas, D.; Tucker, B. E.; Tucker, D. L.; Vikram, V.; Walker, A. R.; Weller, J.; Wester, W.; Wolf, R. C.

2018-06-01

We use numerical simulations to characterize the performance of a clustering-based method to calibrate photometric redshift biases. In particular, we cross-correlate the weak lensing source galaxies from the Dark Energy Survey Year 1 sample with redMaGiC galaxies (luminous red galaxies with secure photometric redshifts) to estimate the redshift distribution of the former sample. The recovered redshift distributions are used to calibrate the photometric redshift bias of standard photo-z methods applied to the same source galaxy sample. We apply the method to two photo-z codes run in our simulated data: Bayesian Photometric Redshift and Directional Neighbourhood Fitting. We characterize the systematic uncertainties of our calibration procedure, and find that these systematic uncertainties dominate our error budget. The dominant systematics are due to our assumption of unevolving bias and clustering across each redshift bin, and to differences between the shapes of the redshift distributions derived by clustering versus photo-zs. The systematic uncertainty in the mean redshift bias of the source galaxy sample is Δz ≲ 0.02, though the precise value depends on the redshift bin under consideration. We discuss possible ways to mitigate the impact of our dominant systematics in future analyses.

Applying Physics to Clean Energy Needs

ERIC Educational Resources Information Center

Environmental Science and Technology, 1975

1975-01-01

Solar and ocean thermal energy sources offer real potential for an environmentally clean fuel by the year 2000. A review of current research contracts relating to ocean-thermal energy, cost requirements of plant construction and uses of the electricity produced, such as synthesizing ammonia and synthetic fuels, are discussed. (BT)

Microcanonical ensemble simulation method applied to discrete potential fluids

NASA Astrophysics Data System (ADS)

Sastre, Francisco; Benavides, Ana Laura; Torres-Arenas, José; Gil-Villegas, Alejandro

2015-09-01

In this work we extend the applicability of the microcanonical ensemble simulation method, originally proposed to study the Ising model [A. Hüller and M. Pleimling, Int. J. Mod. Phys. C 13, 947 (2002), 10.1142/S0129183102003693], to the case of simple fluids. An algorithm is developed by measuring the transition rates probabilities between macroscopic states, that has as advantage with respect to conventional Monte Carlo NVT (MC-NVT) simulations that a continuous range of temperatures are covered in a single run. For a given density, this new algorithm provides the inverse temperature, that can be parametrized as a function of the internal energy, and the isochoric heat capacity is then evaluated through a numerical derivative. As an illustrative example we consider a fluid composed of particles interacting via a square-well (SW) pair potential of variable range. Equilibrium internal energies and isochoric heat capacities are obtained with very high accuracy compared with data obtained from MC-NVT simulations. These results are important in the context of the application of the Hüller-Pleimling method to discrete-potential systems, that are based on a generalization of the SW and square-shoulder fluids properties.

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.

Experimental results of use of triple-energy X-ray beam with K-edge filter in multi-energy imaging

NASA Astrophysics Data System (ADS)

Kim, D.; Lee, S.; Jeon, P.-H.

2016-04-01

Multi-energy imaging is useful for contrast enhancement of lesions, quantitative analysis of specific materials and material separation in the human body. Generally, dual-energy methods are applied to discriminating two materials, but this method cannot discriminate more than two materials. Photon-counting detectors provide spectral information from polyenergetic X-rays using multiple energy bins. In this work, we developed triple-energy X-ray beams using a filter with K-edge energy and applied them experimentally. The energy spectra of triple-energy X-ray beams were assessed by using a spectrometer. The designed triple-energy X-ray beams were validated by measuring quantitative evaluations with mean energy ratio (MER), contrast variation ratio (CVR) and exposure efficiency (EE). Then, triple-energy X-ray beams were used to extract density map of three materials, iodine (I), aluminum (Al) and polymethyl methacrylate (PMMA). The results of the thickness density maps obtained with the developed triple-energy X-ray beams were compared to those acquired using the photon-counting method. As a result, it was found experimentally that the proposed triple-energy X-ray beam technique can separate the three materials as well as the photon-counting method.

K-edge energy-based calibration method for photon counting detectors

NASA Astrophysics Data System (ADS)

Ge, Yongshuai; Ji, Xu; Zhang, Ran; Li, Ke; Chen, Guang-Hong

2018-01-01

In recent years, potential applications of energy-resolved photon counting detectors (PCDs) in the x-ray medical imaging field have been actively investigated. Unlike conventional x-ray energy integration detectors, PCDs count the number of incident x-ray photons within certain energy windows. For PCDs, the interactions between x-ray photons and photoconductor generate electronic voltage pulse signals. The pulse height of each signal is proportional to the energy of the incident photons. By comparing the pulse height with the preset energy threshold values, x-ray photons with specific energies are recorded and sorted into different energy bins. To quantitatively understand the meaning of the energy threshold values, and thus to assign an absolute energy value to each energy bin, energy calibration is needed to establish the quantitative relationship between the threshold values and the corresponding effective photon energies. In practice, the energy calibration is not always easy, due to the lack of well-calibrated energy references for the working energy range of the PCDs. In this paper, a new method was developed to use the precise knowledge of the characteristic K-edge energy of materials to perform energy calibration. The proposed method was demonstrated using experimental data acquired from three K-edge materials (viz., iodine, gadolinium, and gold) on two different PCDs (Hydra and Flite, XCounter, Sweden). Finally, the proposed energy calibration method was further validated using a radioactive isotope (Am-241) with a known decay energy spectrum.

Kinetics-based phase change approach for VOF method applied to boiling flow

NASA Astrophysics Data System (ADS)

Cifani, Paolo; Geurts, Bernard; Kuerten, Hans

2014-11-01

Direct numerical simulations of boiling flows are performed to better understand the interaction of boiling phenomena with turbulence. The multiphase flow is simulated by solving a single set of equations for the whole flow field according to the one-fluid formulation, using a VOF interface capturing method. Interface terms, related to surface tension, interphase mass transfer and latent heat, are added at the phase boundary. The mass transfer rate across the interface is derived from kinetic theory and subsequently coupled with the continuum representation of the flow field. The numerical model was implemented in OpenFOAM and validated against 3 cases: evaporation of a spherical uniformly heated droplet, growth of a spherical bubble in a superheated liquid and two dimensional film boiling. The computational model will be used to investigate the change in turbulence intensity in a fully developed channel flow due to interaction with boiling heat and mass transfer. In particular, we will focus on the influence of the vapor bubble volume fraction on enhancing heat and mass transfer. Furthermore, we will investigate kinetic energy spectra in order to identify the dynamics associated with the wakes of vapor bubbles. Department of Applied Mathematics, 7500 AE Enschede, NL.

Chapter 1: Introduction. The Uniform Methods Project: Methods for Determining Energy-Efficiency Savings for Specific Measures

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

Li, Michael; Haeri, Hossein; Reynolds, Arlis

This chapter provides a set of model protocols for determining energy and demand savings that result from specific energy efficiency measures implemented through state and utility efficiency programs. The methods described here are approaches that are or are among the most commonly used and accepted in the energy efficiency industry for certain measures or programs. As such, they draw from the existing body of research and best practices for energy efficiency program evaluation, measurement, and verification (EM&V). These protocols were developed as part of the Uniform Methods Project (UMP), funded by the U.S. Department of Energy (DOE). The principal objectivemore » for the project was to establish easy-to-follow protocols based on commonly accepted methods for a core set of widely deployed energy efficiency measures.« less

Method and apparatus for generating acoustic energy

DOEpatents

Guerrero, Hector N.

2002-01-01

A method and apparatus for generating and emitting amplified coherent acoustic energy. A cylindrical transducer is mounted within a housing, the transducer having an acoustically open end and an acoustically closed end. The interior of the transducer is filled with an active medium which may include scattering nuclei. Excitation of the transducer produces radially directed acoustic energy in the active medium, which is converted by the dimensions of the transducer, the acoustically closed end thereof, and the scattering nuclei, to amplified coherent acoustic energy directed longitudinally within the transducer. The energy is emitted through the acoustically open end of the transducer. The emitted energy can be used for, among other things, effecting a chemical reaction or removing scale from the interior walls of containment vessels.

Applying Propensity Score Methods in Medical Research: Pitfalls and Prospects

PubMed Central

Luo, Zhehui; Gardiner, Joseph C.; Bradley, Cathy J.

2012-01-01

The authors review experimental and nonexperimental causal inference methods, focusing on assumptions for the validity of instrumental variables and propensity score (PS) methods. They provide guidance in four areas for the analysis and reporting of PS methods in medical research and selectively evaluate mainstream medical journal articles from 2000 to 2005 in the four areas, namely, examination of balance, overlapping support description, use of estimated PS for evaluation of treatment effect, and sensitivity analyses. In spite of the many pitfalls, when appropriately evaluated and applied, PS methods can be powerful tools in assessing average treatment effects in observational studies. Appropriate PS applications can create experimental conditions using observational data when randomized controlled trials are not feasible and, thus, lead researchers to an efficient estimator of the average treatment effect. PMID:20442340

An Advanced Actuator Line Method for Wind Energy Applications and Beyond

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

Churchfield, Matthew J.; Schreck, Scott; Martinez-Tossas, Luis A.

The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications inmore » two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.« less

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.

Method of applying a cerium diffusion coating to a metallic alloy

DOEpatents

Jablonski, Paul D [Salem, OR; Alman, David E [Benton, OR

2009-06-30

A method of applying a cerium diffusion coating to a preferred nickel base alloy substrate has been discovered. A cerium oxide paste containing a halide activator is applied to the polished substrate and then dried. The workpiece is heated in a non-oxidizing atmosphere to diffuse cerium into the substrate. After cooling, any remaining cerium oxide is removed. The resulting cerium diffusion coating on the nickel base substrate demonstrates improved resistance to oxidation. Cerium coated alloys are particularly useful as components in a solid oxide fuel cell (SOFC).

Alternative Energy Sources in Seismic Methods

NASA Astrophysics Data System (ADS)

Tün, Muammer; Pekkan, Emrah; Mutlu, Sunay; Ecevitoğlu, Berkan

2015-04-01

When the suitability of a settlement area is investigated, soil-amplification, liquefaction and fault-related hazards should be defined, and the associated risks should be clarified. For this reason, soil engineering parameters and subsurface geological structure of a new settlement area should be investigated. Especially, faults covered with quaternary alluvium; thicknesses, shear-wave velocities and geometry of subsurface sediments could lead to a soil amplification during an earthquake. Likewise, changes in shear-wave velocities along the basin are also very important. Geophysical methods can be used to determine the local soil properties. In this study, use of alternative seismic energy sources when implementing seismic reflection, seismic refraction and MASW methods in the residential areas of Eskisehir/Turkey, were discussed. Our home developed seismic energy source, EAPSG (Electrically-Fired-PS-Gun), capable to shoot 2x24 magnum shotgun cartridges at once to generate P and S waves; and our home developed WD-500 (500 kg Weight Drop) seismic energy source, mounted on a truck, were developed under a scientific research project of Anadolu University. We were able to reach up to penetration depths of 1200 m for EAPSG, and 800 m for WD-500 in our seismic reflection surveys. WD-500 seismic energy source was also used to perform MASW surveys, using 24-channel, 10 m apart, 4.5 Hz vertical geophone configuration. We were able to reach 100 m of penetration depth in MASW surveys.

77 FR 31756 - Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-30

...-AC46 Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating Methods: Public Meeting AGENCY: Office of Energy Efficiency and Renewable Energy, Department of Energy... regulations authorizing the use of alternative methods of determining energy efficiency or energy consumption...

Analysis of Brick Masonry Wall using Applied Element Method

NASA Astrophysics Data System (ADS)

Lincy Christy, D.; Madhavan Pillai, T. M.; Nagarajan, Praveen

2018-03-01

The Applied Element Method (AEM) is a versatile tool for structural analysis. Analysis is done by discretising the structure as in the case of Finite Element Method (FEM). In AEM, elements are connected by a set of normal and shear springs instead of nodes. AEM is extensively used for the analysis of brittle materials. Brick masonry wall can be effectively analyzed in the frame of AEM. The composite nature of masonry wall can be easily modelled using springs. The brick springs and mortar springs are assumed to be connected in series. The brick masonry wall is analyzed and failure load is determined for different loading cases. The results were used to find the best aspect ratio of brick to strengthen brick masonry wall.

Methods for converging correlation energies within the dielectric matrix formalism

NASA Astrophysics Data System (ADS)

Dixit, Anant; Claudot, Julien; Gould, Tim; Lebègue, Sébastien; Rocca, Dario

2018-03-01

Within the dielectric matrix formalism, the random-phase approximation (RPA) and analogous methods that include exchange effects are promising approaches to overcome some of the limitations of traditional density functional theory approximations. The RPA-type methods however have a significantly higher computational cost, and, similarly to correlated quantum-chemical methods, are characterized by a slow basis set convergence. In this work we analyzed two different schemes to converge the correlation energy, one based on a more traditional complete basis set extrapolation and one that converges energy differences by accounting for the size-consistency property. These two approaches have been systematically tested on the A24 test set, for six points on the potential-energy surface of the methane-formaldehyde complex, and for reaction energies involving the breaking and formation of covalent bonds. While both methods converge to similar results at similar rates, the computation of size-consistent energy differences has the advantage of not relying on the choice of a specific extrapolation model.

Environmental profile of latent energy storage materials applied to industrial systems.

PubMed

López-Sabirón, Ana M; Aranda-Usón, Alfonso; Mainar-Toledo, M D; Ferreira, Victor J; Ferreira, Germán

2014-03-01

Industry sector is an intensive-energy consumer and approximately 20-50% of industrial energy consumption is lost as waste heat. Therefore, there is a great potential for reducing energy consumption and, subsequently, decreasing the fossil fuels used if this lost energy can be recovered. Thermal Energy Storage (TES) based on Latent Heat Storage systems (LHS) using Phase Change Materials (PCMs) has become one of the most feasible solutions in achieving energy savings through waste heat recovery, especially when there is a mismatch between the supply and consumption of energy processes. In this paper, a shell and tube heat exchanger incorporating PCMs has been considered to store the excess energy available in an industrial process. Several attempts have been made to design the most appropriate system considering many cost-benefit and technical criteria to maximise the heat recovery. However, the environmental criterion also is an important factor when determining whether this technology is not only energy and cost-efficient but also environmentally friendly, considering the whole life of the system from its manufacture to its disposal. To this end, this research includes a Life Cycle Assessment (LCA) to determine whether the energy savings of conventional fuels during the operation stage are large enough to balance the environmental impact originated in an industrial TES system including the manufacture, use and disposal phases. Inputs and outputs of each management stage have been defined, and the inventory emissions calculated by SIMAPRO v7.3.2. A midpoint and endpoint approaches have been carried out using two methods, CML 2001 and Eco-indicator 99, respectively. As a preliminary result, a promising reduction in the overall impacts was obtained by the use of this technology. From the environmental impact results, a matrix of possible technical solutions is displayed, to improve the environmental performance. Copyright © 2013 Elsevier B.V. All rights reserved.

Essential energy space random walk via energy space metadynamics method to accelerate molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Li, Hongzhi; Min, Donghong; Liu, Yusong; Yang, Wei

2007-09-01

To overcome the possible pseudoergodicity problem, molecular dynamic simulation can be accelerated via the realization of an energy space random walk. To achieve this, a biased free energy function (BFEF) needs to be priori obtained. Although the quality of BFEF is essential for sampling efficiency, its generation is usually tedious and nontrivial. In this work, we present an energy space metadynamics algorithm to efficiently and robustly obtain BFEFs. Moreover, in order to deal with the associated diffusion sampling problem caused by the random walk in the total energy space, the idea in the original umbrella sampling method is generalized to be the random walk in the essential energy space, which only includes the energy terms determining the conformation of a region of interest. This essential energy space generalization allows the realization of efficient localized enhanced sampling and also offers the possibility of further sampling efficiency improvement when high frequency energy terms irrelevant to the target events are free of activation. The energy space metadynamics method and its generalization in the essential energy space for the molecular dynamics acceleration are demonstrated in the simulation of a pentanelike system, the blocked alanine dipeptide model, and the leucine model.

An Empirical Study of Applying Associative Method in College English Vocabulary Learning

ERIC Educational Resources Information Center

Zhang, Min

2014-01-01

Vocabulary is the basis of any language learning. To many Chinese non-English majors it is difficult to memorize English words. This paper applied associative method in presenting new words to them. It is found that associative method did receive a better result both in short-term and long-term retention of English words. Compared with the…

Dark Energy Survey Year 1 Results: Cross-Correlation Redshifts - Methods and Systematics Characterization

DOE PAGES

Gatti, M.

2018-02-22

We use numerical simulations to characterize the performance of a clustering-based method to calibrate photometric redshift biases. In particular, we cross-correlate the weak lensing (WL) source galaxies from the Dark Energy Survey Year 1 (DES Y1) sample with redMaGiC galaxies (luminous red galaxies with secure photometric red- shifts) to estimate the redshift distribution of the former sample. The recovered redshift distributions are used to calibrate the photometric redshift bias of standard photo-z methods applied to the same source galaxy sample. We also apply the method to three photo-z codes run in our simulated data: Bayesian Photometric Redshift (BPZ), Directional Neighborhoodmore » Fitting (DNF), and Random Forest-based photo-z (RF). We characterize the systematic uncertainties of our calibration procedure, and find that these systematic uncertainties dominate our error budget. The dominant systematics are due to our assumption of unevolving bias and clustering across each redshift bin, and to differences between the shapes of the redshift distributions derived by clustering vs photo-z's. The systematic uncertainty in the mean redshift bias of the source galaxy sample is z ≲ 0.02, though the precise value depends on the redshift bin under consideration. Here, we discuss possible ways to mitigate the impact of our dominant systematics in future analyses.« less

Dark Energy Survey Year 1 Results: Cross-Correlation Redshifts - Methods and Systematics Characterization

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

Gatti, M.

We use numerical simulations to characterize the performance of a clustering-based method to calibrate photometric redshift biases. In particular, we cross-correlate the weak lensing (WL) source galaxies from the Dark Energy Survey Year 1 (DES Y1) sample with redMaGiC galaxies (luminous red galaxies with secure photometric red- shifts) to estimate the redshift distribution of the former sample. The recovered redshift distributions are used to calibrate the photometric redshift bias of standard photo-z methods applied to the same source galaxy sample. We also apply the method to three photo-z codes run in our simulated data: Bayesian Photometric Redshift (BPZ), Directional Neighborhoodmore » Fitting (DNF), and Random Forest-based photo-z (RF). We characterize the systematic uncertainties of our calibration procedure, and find that these systematic uncertainties dominate our error budget. The dominant systematics are due to our assumption of unevolving bias and clustering across each redshift bin, and to differences between the shapes of the redshift distributions derived by clustering vs photo-z's. The systematic uncertainty in the mean redshift bias of the source galaxy sample is z ≲ 0.02, though the precise value depends on the redshift bin under consideration. Here, we discuss possible ways to mitigate the impact of our dominant systematics in future analyses.« less

Systematic Convergence in Applying Variational Method to Double-Well Potential

ERIC Educational Resources Information Center

Mei, Wai-Ning

2016-01-01

In this work, we demonstrate the application of the variational method by computing the ground- and first-excited state energies of a double-well potential. We start with the proper choice of the trial wave functions using optimized parameters, and notice that accurate expectation values in excellent agreement with the numerical results can be…

The BFMNU method as an alternative to the methods in use based on energy: study of the correlation between food energy and body mass.

PubMed

Rondini, Greta; Olearo, Beatrice; Soriano Del Castillo, José Miguel; Boselli, Pietro Marco

2018-03-01

to establish slimming guidelines and any other changing treatments is useful to know the individual's energy expenditure due to the fact that, nowadays, the incidence of many diseases related to the loss of lean mass and the accumulation of adipose tissue has increased. The dietary treatments are carried out on calculating the energy contained in food, and then put in relation to the total energy expended by the body in order to produce changes in body mass. the aim of this study was to evaluate the correlation between the food energy and body mass of different subjects in various pathophysiological conditions. one hundred and twenty subjects (male and female, aged 7-78 years old) were studied in various pathophysiological conditions and previously treated with the BFMNU (Biologia e Fisiologia Modellistica della Nutrizione Umana)method. a correlation coefficient R2 of 0.1256 was found between food energy of the diet usually followed by the subjects and their body mass. The correlation between food energy and food mass was with R2 of 0.211. The correlation between Δ% of food energy and Δ% of body mass of the subjects, obtained through dietary treatment with the BFMNU method, was 95.77 percent. the correlation between food energy and body mass is not significant, being a critical point about the diets designed on an energy basis. However, the body mass of an individual is determined by mass balance, regulated by corresponding metabolic rate, calculated by the BFMNU method, thanks to which the macronutrients in the diet are absorbed, redistributed and eliminated. A significant correlation, although not straight, is demonstrated between Δ% of food energy, supplied after processing through the dietary BFMNU method, and the Δ% of body mass, obtained following the dietetic path.

Non-invasive imaging methods applied to neo- and paleontological cephalopod research

NASA Astrophysics Data System (ADS)

Hoffmann, R.; Schultz, J. A.; Schellhorn, R.; Rybacki, E.; Keupp, H.; Gerden, S. R.; Lemanis, R.; Zachow, S.

2013-11-01

Several non-invasive methods are common practice in natural sciences today. Here we present how they can be applied and contribute to current topics in cephalopod (paleo-) biology. Different methods will be compared in terms of time necessary to acquire the data, amount of data, accuracy/resolution, minimum-maximum size of objects that can be studied, of the degree of post-processing needed and availability. Main application of the methods is seen in morphometry and volumetry of cephalopod shells in order to improve our understanding of diversity and disparity, functional morphology and biology of extinct and extant cephalopods.

An applied study using systems engineering methods to prioritize green systems options

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

Lee, Sonya M; Macdonald, John M

2009-01-01

For many years, there have been questions about the effectiveness of applying different green solutions. If you're building a home and wish to use green technologies, where do you start? While all technologies sound promising, which will perform the best over time? All this has to be considered within the cost and schedule of the project. The amount of information available on the topic can be overwhelming. We seek to examine if Systems Engineering methods can be used to help people choose and prioritize technologies that fit within their project and budget. Several methods are used to gain perspective intomore » how to select the green technologies, such as the Analytic Hierarchy Process (AHP) and Kepner-Tregoe. In our study, subjects applied these methods to analyze cost, schedule, and trade-offs. Results will document whether the experimental approach is applicable to defining system priorities for green technologies.« less

A quantitative method for measuring forces applied by nail braces.

PubMed

Erdogan, Fatma G

2011-01-01

Nail bracing is a conservative method used for ingrown nails; however, lack of objective measurements limits its use for various nails. Double-string nail braces with extra metal springs were applied to 12 patients with 21 chronic, thick, and overcurved ingrown nails. Force was measured with a force gauge meter. Treatment was stopped once patients stood on their tiptoes and walked in shoes pain free without braces. A force gauge meter was also used on a model nail to show the forces applied by various nail braces and to compare their pulling forces. After 6 to 10 months of treatment, all of the patients were pain free; 600 to 1,000 centi Newtons of force were applied to the nails. As the width of the nail increased, so did the force. Braces exert more force on larger nails, which may shorten treatment durations. By measuring forces, it may be possible to standardize force and duration of treatment according to variables such as nail thickness, nail width, angle of ingrown nail, and duration of symptoms.

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.

Development of the relaxation-assisted 2DIR method for accessing structures of molecules and its application for studying the energy transport on a molecular level

NASA Astrophysics Data System (ADS)

Kasyanenko, Valeriy Mitrofanovich

Measuring the three-dimensional structure of molecules, dynamics of structural changes, and energy transport on a molecular scale is important for many areas of natural science. Supplementing the widely used methods of x-ray diffraction, NMR, and optical spectroscopies, a two-dimensional infrared spectroscopy (2DIR) method was introduced about a decade ago. The 2DIR method measures pair-wise interactions between vibrational modes in molecules, thus acquiring molecular structural constraints such as distances between vibrating groups and the angles between their transition dipoles. The 2DIR method has been applied to a variety of molecular systems but in studying larger molecules such as proteins and peptides the method is facing challenges associated with the congestion of their vibrational spectra and delocalized character of their vibrational modes. To help extract structural information from such spectra and make efficient use of vibrational modes separated by large distances, a novel relaxation-assisted 2DIR method (RA 2DIR) has recently been proposed, which exploits the transport of excess vibrational energy from the initially excited mode. With the goal of further development of RA 2DIR, we applied it to a variety of molecular systems, including model compounds, transition-metal complexes, and isomers. The experiments revealed several novel effects which both enhance the power of RA 2DIR and bring a deeper understanding to the fundamental process of energy transport on a molecular level. We demonstrated that RA 2DIR can enhance greatly (27-fold) the cross-peak amplitude among spatially remote modes, which leads to an increase of the range of distances accessible for structural measurements by several fold. We demonstrated that the energy transport time correlates with the intermode distance. This correlation offers a new way for identifying connectivity patterns in molecules. We developed two models of energy transport in molecules. In one, a spatial overlap

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.

Nonlinear energy harvesting.

PubMed

Cottone, F; Vocca, H; Gammaitoni, L

2009-02-27

Ambient energy harvesting has been in recent years the recurring object of a number of research efforts aimed at providing an autonomous solution to the powering of small-scale electronic mobile devices. Among the different solutions, vibration energy harvesting has played a major role due to the almost universal presence of mechanical vibrations. Here we propose a new method based on the exploitation of the dynamical features of stochastic nonlinear oscillators. Such a method is shown to outperform standard linear oscillators and to overcome some of the most severe limitations of present approaches. We demonstrate the superior performances of this method by applying it to piezoelectric energy harvesting from ambient vibration.

Rapid spectrophotometric method for determining surface free energy of microalgal cells.

PubMed

Zhang, Xinru; Jiang, Zeyi; Li, Mengyin; Zhang, Xinxin; Wang, Ge; Chou, Aihui; Chen, Liang; Yan, Hai; Zuo, Yi Y

2014-09-02

Microalgae are one of the most promising renewable energy sources with environmental sustainability. The surface free energy of microalgal cells determines their biofouling and bioflocculation behavior and hence plays an important role in microalgae cultivation and harvesting. To date, the surface energetic properties of microalgal cells are still rarely studied. We developed a novel spectrophotometric method for directly determining the surface free energy of microalgal cells. The principles of this method are based on analyzing colloidal stability of microalgae suspensions. We have shown that this method can effectively differentiate the surface free energy of four microalgal strains, i.e., marine Chlorella sp., marine Nannochloris oculata, freshwater autotrophic Chlorella sp., and freshwater heterotrophic Chlorella sp. With advantages of high-throughput and simplicity, this new spectrophotometric method has the potential to evolve into a standard method for measuring the surface free energy of cells and abiotic particles.

A method to assess the population-level consequences of wind energy facilities on bird and bat species: Chapter

USGS Publications Warehouse

Diffendorfer, James E.; Beston, Julie A.; Merrill, Matthew; Stanton, Jessica C.; Corum, Margo D.; Loss, Scott R.; Thogmartin, Wayne E.; Johnson, Douglas H.; Erickson, Richard A.; Heist, Kevin W.

2016-01-01

For this study, a methodology was developed for assessing impacts of wind energy generation on populations of birds and bats at regional to national scales. The approach combines existing methods in applied ecology for prioritizing species in terms of their potential risk from wind energy facilities and estimating impacts of fatalities on population status and trend caused by collisions with wind energy infrastructure. Methods include a qualitative prioritization approach, demographic models, and potential biological removal. The approach can be used to prioritize species in need of more thorough study as well as to identify species with minimal risk. However, the components of this methodology require simplifying assumptions and the data required may be unavailable or of poor quality for some species. These issues should be carefully considered before using the methodology. The approach will increase in value as more data become available and will broaden the understanding of anthropogenic sources of mortality on bird and bat populations.

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

Lessons learned applying CASE methods/tools to Ada software development projects

NASA Technical Reports Server (NTRS)

Blumberg, Maurice H.; Randall, Richard L.

1993-01-01

This paper describes the lessons learned from introducing CASE methods/tools into organizations and applying them to actual Ada software development projects. This paper will be useful to any organization planning to introduce a software engineering environment (SEE) or evolving an existing one. It contains management level lessons learned, as well as lessons learned in using specific SEE tools/methods. The experiences presented are from Alpha Test projects established under the STARS (Software Technology for Adaptable and Reliable Systems) project. They reflect the front end efforts by those projects to understand the tools/methods, initial experiences in their introduction and use, and later experiences in the use of specific tools/methods and the introduction of new ones.

The Stewardship Science Academic Alliance: A Model of Education for Fundamental and Applied Low-energy Nuclear Science

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

Cizewski, J.A., E-mail: cizewski@rutgers.edu

The Stewardship Science Academic Alliances (SSAA) were inaugurated in 2002 by the National Nuclear Security Administration of the U. S. Department of Energy. The purpose is to enhance connections between NNSA laboratories and the activities of university scientists and their students in research areas important to NNSA, including low-energy nuclear science. This paper highlights some of the ways that the SSAA fosters education and training of graduate students and postdoctoral scholars in low-energy nuclear science, preparing them for careers in fundamental and applied research and development.

Battery energy storage sizing when time of use pricing is applied.

PubMed

Carpinelli, Guido; Khormali, Shahab; Mottola, Fabio; Proto, Daniela

2014-01-01

Battery energy storage systems (BESSs) are considered a key device to be introduced to actuate the smart grid paradigm. However, the most critical aspect related to the use of such device is its economic feasibility as it is a still developing technology characterized by high costs and limited life duration. Particularly, the sizing of BESSs must be performed in an optimized way in order to maximize the benefits related to their use. This paper presents a simple and quick closed form procedure for the sizing of BESSs in residential and industrial applications when time-of-use tariff schemes are applied. A sensitivity analysis is also performed to consider different perspectives in terms of life span and future costs.

An energy-based perturbation and a taboo strategy for improving the searching ability of stochastic structural optimization methods

NASA Astrophysics Data System (ADS)

Cheng, Longjiu; Cai, Wensheng; Shao, Xueguang

2005-03-01

An energy-based perturbation and a new idea of taboo strategy are proposed for structural optimization and applied in a benchmark problem, i.e., the optimization of Lennard-Jones (LJ) clusters. It is proved that the energy-based perturbation is much better than the traditional random perturbation both in convergence speed and searching ability when it is combined with a simple greedy method. By tabooing the most wide-spread funnel instead of the visited solutions, the hit rate of other funnels can be significantly improved. Global minima of (LJ) clusters up to 200 atoms are found with high efficiency.

Prediction of digestibility and energy concentration of winter pasture forage and herbage of low-input grassland--a comparison of methods.

PubMed

Opitz v Boberfeld, W; Theobald, P C; Laser, H

2003-06-01

Regarding the estimation of the energy concentration or digestibility of herb-dominated forage and plant samples from winter pastures, it could be expected that the estimation is only reliable when in vitro methods with rumen fluid as inoculum (= gas production techniques) are used. For the verification of this thesis based on logical reflections, an in vitro-method with rumen fluid added as inoculum, as well as chemical, and enzymatic methods were applied under consideration of existing estimating functions. As a possible reason for the observed divergence of the methods, effects of fungal infections or, respectively, secondary compounds in herbs are discussed. At the present state of knowledge, it is adequate to estimate the energy concentration in vitro by gas tests, as far as fattening types like suckler cows and beef cattle are concerned, maybe in contrast to the forage evaluation for dairy cows.

The Demand for Scientific and Technical Manpower in Selected Energy-Related Industries, 1970-85: A Methodology Applied to a Selected Scenario of Energy Output. A Summary.

ERIC Educational Resources Information Center

Gutmanis, Ivars; And Others

The primary purpose of the study was to develop and apply a methodology for estimating the need for scientists and engineers by specialty in energy and energy-related industries. The projections methodology was based on the Case 1 estimates by the National Petroleum Council of the results of "maximum efforts" to develop domestic fuel sources by…

Quantitative Hydrocarbon Energies from the PMO Method.

ERIC Educational Resources Information Center

Cooper, Charles F.

1979-01-01

Details a procedure for accurately calculating the quantum mechanical energies of hydrocarbons using the perturbational molecular orbital (PMO) method, which does not require the use of a computer. (BT)

40 CFR Table 7 to Subpart Dddd of... - Model Rule-Emission Limitations That Apply to Energy Recovery Units After May 20, 2011

Code of Federal Regulations, 2014 CFR

2014-07-01

... Apply to Energy Recovery Units After May 20, 2011 7 Table 7 to Subpart DDDD of Part 60 Protection of... Waste Incineration Units Pt. 60, Subpt. DDDD, Table 7 Table 7 to Subpart DDDD of Part 60—Model Rule—Emission Limitations That Apply to Energy Recovery Units After May 20, 2011 [Date to be specified in state...

40 CFR Table 7 to Subpart Dddd of... - Model Rule-Emission Limitations That Apply to Energy Recovery Units After May 20, 2011

Code of Federal Regulations, 2013 CFR

2013-07-01

... Apply to Energy Recovery Units After May 20, 2011 7 Table 7 to Subpart DDDD of Part 60 Protection of... Waste Incineration Units Pt. 60, Subpt. DDDD, Table 7 Table 7 to Subpart DDDD of Part 60—Model Rule—Emission Limitations That Apply to Energy Recovery Units After May 20, 2011 [Date to be specified in state...

Alternative prediction methods of protein and energy evaluation of pig feeds.

PubMed

Święch, Ewa

2017-01-01

Precise knowledge of the actual nutritional value of individual feedstuffs and complete diets for pigs is important for efficient livestock production. Methods of assessment of protein and energy values in pig feeds have been briefly described. In vivo determination of protein and energy values of feeds in pigs are time-consuming, expensive and very often require the use of surgically-modified animals. There is a need for more simple, rapid, inexpensive and reproducible methods for routine feed evaluation. Protein and energy values of pig feeds can be estimated using the following alternative methods: 1) prediction equations based on chemical composition; 2) animal models as rats, cockerels and growing pigs for adult animals; 3) rapid methods, such as the mobile nylon bag technique and in vitro methods. Alternative methods developed for predicting the total tract and ileal digestibility of nutrients including amino acids in feedstuffs and diets for pigs have been reviewed. This article focuses on two in vitro methods that can be used for the routine evaluation of amino acid ileal digestibility and energy value of pig feeds and on factors affecting digestibility determined in vivo in pigs and by alternative methods. Validation of alternative methods has been carried out by comparing the results obtained using these methods with those acquired in vivo in pigs. In conclusion, energy and protein values of pig feeds may be estimated with satisfactory precision in rats and by the two- or three-step in vitro methods providing equations for the calculation of standardized ileal digestibility of amino acids and metabolizable energy content. The use of alternative methods of feed evaluation is an important way for reduction of stressful animal experiments.

The Fractional Step Method Applied to Simulations of Natural Convective Flows

NASA Technical Reports Server (NTRS)

Westra, Douglas G.; Heinrich, Juan C.; Saxon, Jeff (Technical Monitor)

2002-01-01

This paper describes research done to apply the Fractional Step Method to finite-element simulations of natural convective flows in pure liquids, permeable media, and in a directionally solidified metal alloy casting. The Fractional Step Method has been applied commonly to high Reynold's number flow simulations, but is less common for low Reynold's number flows, such as natural convection in liquids and in permeable media. The Fractional Step Method offers increased speed and reduced memory requirements by allowing non-coupled solution of the pressure and the velocity components. The Fractional Step Method has particular benefits for predicting flows in a directionally solidified alloy, since other methods presently employed are not very efficient. Previously, the most suitable method for predicting flows in a directionally solidified binary alloy was the penalty method. The penalty method requires direct matrix solvers, due to the penalty term. The Fractional Step Method allows iterative solution of the finite element stiffness matrices, thereby allowing more efficient solution of the matrices. The Fractional Step Method also lends itself to parallel processing, since the velocity component stiffness matrices can be built and solved independently of each other. The finite-element simulations of a directionally solidified casting are used to predict macrosegregation in directionally solidified castings. In particular, the finite-element simulations predict the existence of 'channels' within the processing mushy zone and subsequently 'freckles' within the fully processed solid, which are known to result from macrosegregation, or what is often referred to as thermo-solutal convection. These freckles cause material property non-uniformities in directionally solidified castings; therefore many of these castings are scrapped. The phenomenon of natural convection in an alloy under-going directional solidification, or thermo-solutal convection, will be explained. The

Free energy of conformational transition paths in biomolecules: The string method and its application to myosin VI

PubMed Central

Ovchinnikov, Victor; Karplus, Martin; Vanden-Eijnden, Eric

2011-01-01

A set of techniques developed under the umbrella of the string method is used in combination with all-atom molecular dynamics simulations to analyze the conformation change between the prepowerstroke (PPS) and rigor (R) structures of the converter domain of myosin VI. The challenges specific to the application of these techniques to such a large and complex biomolecule are addressed in detail. These challenges include (i) identifying a proper set of collective variables to apply the string method, (ii) finding a suitable initial string, (iii) obtaining converged profiles of the free energy along the transition path, (iv) validating and interpreting the free energy profiles, and (v) computing the mean first passage time of the transition. A detailed description of the PPS↔R transition in the converter domain of myosin VI is obtained, including the transition path, the free energy along the path, and the rates of interconversion. The methodology developed here is expected to be useful more generally in studies of conformational transitions in complex biomolecules. PMID:21361558

Solution of Thermoelectricity Problems Energy Method

NASA Astrophysics Data System (ADS)

Niyazbek, Muheyat; Nogaybaeva, M. O.; Talp, Kuenssaule; Kudaikulov, A. A.

2018-06-01

On the basis of the fundamental laws of conservation of energy in conjunction with local quadratic spline functions was developed a universal computing algorithm, a method and associated software, which allows to investigate the Thermophysical insulated rod, with limited length, influenced by local heat flow, heat transfer and temperature

Study on energy saving of subway station based on orthogonal experimental method

NASA Astrophysics Data System (ADS)

Guo, Lei

2017-05-01

With the characteristics of quick, efficient and large amount transport, the subway has become an important way to solve urban traffic congestion. As the subway environment will follow the change of external environment factors such as temperature and load of personnel changes, three-dimensional numerical simulations study is conducted by using CFD software for air distribution of subway platform. The influence of different loads (the supply air temperature and velocity of air condition, personnel load, heat flux of the wall) on the subway platform flow field are also analysed. The orthogonal experiment method is applied to the numerical simulation analysis for human comfort under different parameters. Based on those results, the functional relationship between human comfort and the boundary conditions of the platform is produced by multiple linear regression fitting method, the order of major boundary conditions which affect human comfort is obtained. The above study provides a theoretical basis for the final energy-saving strategies.

Applying the Mixed Methods Instrument Development and Construct Validation Process: the Transformative Experience Questionnaire

ERIC Educational Resources Information Center

Koskey, Kristin L. K.; Sondergeld, Toni A.; Stewart, Victoria C.; Pugh, Kevin J.

2018-01-01

Onwuegbuzie and colleagues proposed the Instrument Development and Construct Validation (IDCV) process as a mixed methods framework for creating and validating measures. Examples applying IDCV are lacking. We provide an illustrative case integrating the Rasch model and cognitive interviews applied to the development of the Transformative…

10 CFR 451.3 - Who may apply.

Code of Federal Regulations, 2011 CFR

2011-01-01

... ENERGY ENERGY CONSERVATION RENEWABLE ENERGY PRODUCTION INCENTIVES § 451.3 Who may apply. Any owner, or operator with the written consent of the owner, but not both, of a qualified renewable energy facility, may apply for incentive payments for net electric energy generated from a renewable energy source and sold. ...

10 CFR 451.3 - Who may apply.

Code of Federal Regulations, 2010 CFR

2010-01-01

... ENERGY ENERGY CONSERVATION RENEWABLE ENERGY PRODUCTION INCENTIVES § 451.3 Who may apply. Any owner, or operator with the written consent of the owner, but not both, of a qualified renewable energy facility, may apply for incentive payments for net electric energy generated from a renewable energy source and sold. ...

10 CFR 451.3 - Who may apply.

Code of Federal Regulations, 2012 CFR

2012-01-01

... ENERGY ENERGY CONSERVATION RENEWABLE ENERGY PRODUCTION INCENTIVES § 451.3 Who may apply. Any owner, or operator with the written consent of the owner, but not both, of a qualified renewable energy facility, may apply for incentive payments for net electric energy generated from a renewable energy source and sold. ...

10 CFR 451.3 - Who may apply.

Code of Federal Regulations, 2013 CFR

2013-01-01

... ENERGY ENERGY CONSERVATION RENEWABLE ENERGY PRODUCTION INCENTIVES § 451.3 Who may apply. Any owner, or operator with the written consent of the owner, but not both, of a qualified renewable energy facility, may apply for incentive payments for net electric energy generated from a renewable energy source and sold. ...

10 CFR 451.3 - Who may apply.

Code of Federal Regulations, 2014 CFR

2014-01-01

... ENERGY ENERGY CONSERVATION RENEWABLE ENERGY PRODUCTION INCENTIVES § 451.3 Who may apply. Any owner, or operator with the written consent of the owner, but not both, of a qualified renewable energy facility, may apply for incentive payments for net electric energy generated from a renewable energy source and sold. ...

A Method of Measuring the Costs and Benefits of Applied Research.

ERIC Educational Resources Information Center

Sprague, John W.

The Bureau of Mines studied the application of the concepts and methods of cost-benefit analysis to the problem of ranking alternative applied research projects. Procedures for measuring the different classes of project costs and benefits, both private and public, are outlined, and cost-benefit calculations are presented, based on the criteria of…

An Advanced Actuator Line Method for Wind Energy Applications and Beyond: Preprint

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

Churchfield, Matthew; Schreck, Scott; Martinez-Tossas, Luis A.

The actuator line method to represent rotor aerodynamics within computational fluid dynamics has been in use for over a decade. This method applies a body force to the flow field along rotating lines corresponding to the individual rotor blades and employs tabular airfoil data to compute the force distribution. The actuator line method is attractive because compared to blade-resolved simulations, the required mesh is much simpler and the computational cost is lower. This work proposes a higher fidelity variant of the actuator line method meant to fill the space between current actuator line and blade-resolved simulations. It contains modifications inmore » two key areas. The first is that of freestream velocity vector estimation along the line, which is necessary to compute the lift and drag along the line using tabular airfoil data. Most current methods rely on point sampling in which the location of sampling is ambiguous. Here we test a velocity sampling method that uses a properly weighted integral over space, removing this ambiguity. The second area of improvement is the function used to project the one-dimensional actuator line force onto the three-dimensional fluid mesh as a body force. We propose and test a projection function that spreads the force over a region that looks something like a real blade with the hope that it will produce the blade local and near wake flow features with more accuracy and higher fidelity. Our goal is that between these two improvements, not only will the flow field predictions be enhanced, but also the spanwise loading will be made more accurate. We refer to this combination of improvements as the advanced actuator line method. We apply these improvements to two different wind turbine cases. Although there is a strong wind energy motivation in our work, there is no reason these advanced actuator line ideas cannot be used in other applications, such as helicopter rotors.« less

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…

Funnel metadynamics as accurate binding free-energy method

PubMed Central

Limongelli, Vittorio; Bonomi, Massimiliano; Parrinello, Michele

2013-01-01

A detailed description of the events ruling ligand/protein interaction and an accurate estimation of the drug affinity to its target is of great help in speeding drug discovery strategies. We have developed a metadynamics-based approach, named funnel metadynamics, that allows the ligand to enhance the sampling of the target binding sites and its solvated states. This method leads to an efficient characterization of the binding free-energy surface and an accurate calculation of the absolute protein–ligand binding free energy. We illustrate our protocol in two systems, benzamidine/trypsin and SC-558/cyclooxygenase 2. In both cases, the X-ray conformation has been found as the lowest free-energy pose, and the computed protein–ligand binding free energy in good agreement with experiments. Furthermore, funnel metadynamics unveils important information about the binding process, such as the presence of alternative binding modes and the role of waters. The results achieved at an affordable computational cost make funnel metadynamics a valuable method for drug discovery and for dealing with a variety of problems in chemistry, physics, and material science. PMID:23553839

Local Energies and Energy Fluctuations — Applied to the High Entropy Alloy CrFeCoNi

NASA Astrophysics Data System (ADS)

Fukushima, Tetsuya; Katayama-Yoshida, Hiroshi; Sato, Kazunori; Ogura, Masako; Zeller, Rudolf; Dederichs, Peter H.

2017-11-01

High entropy alloys show a variety of fascinating properties like high hardness, wear resistance, corrosion resistance, etc. They are random solid solutions of many components with rather high concentrations. We perform ab-initio calculations for the high entropy alloy CrFeCoNi, which equal concentration of 25% for each element. By the KKRnano program package, which is based on an order-N screened Korringa-Kohn-Rostoker Green's function method, we consider a face-centered cubic (FCC) supercell with 1372 randomly distributed elements, and in addition also smaller supercells with 500 and 256 atoms. It is found from our calculations that the local moments of the Cr atoms show a large environmental variation, ranging from -1.70 μB to +1.01 μB with an average of about -0.51 μB. We present a new method to calculate "local energies" of all atoms. This is based on the partitioning of the whole space into Voronoi cells and allows to calculate the energetic contribution of each atomic cell to the total energy of the supercell. The supercell calculations show very large variations of the local energies, analogous to the variations of the local moments. This shows that the random solid solution is not stable and has a tendency to form an L12-structure with the Cr-atoms ordered at the corner of the cube and the elements Fe, Co, and Ni randomly distributed on the three other FCC sublattices. For this structure the variation of the local moments are much smaller.

Battery Energy Storage Sizing When Time of Use Pricing Is Applied

PubMed Central

Khormali, Shahab

2014-01-01

Battery energy storage systems (BESSs) are considered a key device to be introduced to actuate the smart grid paradigm. However, the most critical aspect related to the use of such device is its economic feasibility as it is a still developing technology characterized by high costs and limited life duration. Particularly, the sizing of BESSs must be performed in an optimized way in order to maximize the benefits related to their use. This paper presents a simple and quick closed form procedure for the sizing of BESSs in residential and industrial applications when time-of-use tariff schemes are applied. A sensitivity analysis is also performed to consider different perspectives in terms of life span and future costs. PMID:25295309

Trends in Research Methods in Applied Linguistics: China and the West.

ERIC Educational Resources Information Center

Yihong, Gao; Lichun, Li; Jun, Lu

2001-01-01

Examines and compares current trends in applied linguistics (AL) research methods in China and the West. Reviews AL articles in four Chinese journals, from 1978-1997, and four English journals from 1985 to 1997. Articles are categorized and subcategorized. Results show that in China, AL research is heading from non-empirical toward empirical, with…

TU-FG-BRB-03: Basis Vector Model Based Method for Proton Stopping Power Estimation From Experimental Dual Energy CT Data

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

Zhang, S; Politte, D; O’Sullivan, J

2016-06-15

Purpose: This work aims at reducing the uncertainty in proton stopping power (SP) estimation by a novel combination of a linear, separable basis vector model (BVM) for stopping power calculation (Med Phys 43:600) and a statistical, model-based dual-energy CT (DECT) image reconstruction algorithm (TMI 35:685). The method was applied to experimental data. Methods: BVM assumes the photon attenuation coefficients, electron densities, and mean excitation energies (I-values) of unknown materials can be approximated by a combination of the corresponding quantities of two reference materials. The DECT projection data for a phantom with 5 different known materials was collected on a Philipsmore » Brilliance scanner using two scans at 90 kVp and 140 kVp. The line integral alternating minimization (LIAM) algorithm was used to recover the two BVM coefficient images using the measured source spectra. The proton stopping powers are then estimated from the Bethe-Bloch equation using electron densities and I-values derived from the BVM coefficients. The proton stopping powers and proton ranges for the phantom materials estimated via our BVM based DECT method are compared to ICRU reference values and a post-processing DECT analysis (Yang PMB 55:1343) applied to vendorreconstructed images using the Torikoshi parametric fit model (tPFM). Results: For the phantom materials, the average stopping power estimations for 175 MeV protons derived from our method are within 1% of the ICRU reference values (except for Teflon with a 1.48% error), with an average standard deviation of 0.46% over pixels. The resultant proton ranges agree with the reference values within 2 mm. Conclusion: Our principled DECT iterative reconstruction algorithm, incorporating optimal beam hardening and scatter corrections, in conjunction with a simple linear BVM model, achieves more accurate and robust proton stopping power maps than the post-processing, nonlinear tPFM based DECT analysis applied to conventional

An image-domain, contrast material extraction method for Dual-Energy CT

PubMed Central

Lambert, Jack W.; Sun, Yuxin; Gould, Robert G.; Ohliger, Michael A.; Li, Zhixi; Yeh, Benjamin M.

2016-01-01

Objectives Conventional material decomposition techniques for dual-energy CT (DECT) assume mass or volume conservation, where the CT number of each voxel is fully assigned to predefined materials. We present an image-domain contrast material extraction process (CMEP) method that preferentially extracts contrast-producing materials while leaving the remaining image intact. Materials and Methods Image processing freeware (Fiji) is used to perform consecutive arithmetic operations on a dual-energy ratio map to generate masks, which are then applied to the original images to generate material-specific images. First, a low-energy image is divided by a high-energy image to generate a ratio map. The ratio map is then split into material-specific masks. Ratio intervals known to correspond to particular materials (e.g. iodine, calcium) are assigned a multiplier of 1, while ratio values in between these intervals are assigned linear gradients from 0 to 1. The masks are then multiplied by an original CT image to produce material-specific images. The method was tested quantitatively at Dual-Source (DSCT) and Rapid kVp-Switching CT (RSCT) with phantoms using pure and mixed formulations of tungsten, calcium and iodine. Errors were evaluated by comparing the known material concentrations with those derived from the CMEP material-specific images. Further qualitative evaluation was performed in vivo at RSCT with a rabbit model using identical CMEP parameters to the phantom. Orally administered tungsten, vascularly administered iodine, and skeletal calcium were used as the three contrast materials. Results All five material combinations; tungsten, iodine and calcium, and mixtures of tungsten-calcium and iodine-calcium, showed distinct dual-energy ratios, largely independent of material concentration at both DSCT and RSCT. The CMEP was successful in both phantoms and in vivo. For pure contrast materials in the phantom, the maximum error between the known and CMEP-derived material

A novel method for energy harvesting simulation based on scenario generation

NASA Astrophysics Data System (ADS)

Wang, Zhe; Li, Taoshen; Xiao, Nan; Ye, Jin; Wu, Min

2018-06-01

Energy harvesting network (EHN) is a new form of computer networks. It converts ambient energy into usable electric energy and supply the electrical energy as a primary or secondary power source to the communication devices. However, most of the EHN uses the analytical probability distribution function to describe the energy harvesting process, which cannot accurately identify the actual situation for the lack of authenticity. We propose an EHN simulation method based on scenario generation in this paper. Firstly, instead of setting a probability distribution in advance, it uses optimal scenario reduction technology to generate representative scenarios in single period based on the historical data of the harvested energy. Secondly, it uses homogeneous simulated annealing algorithm to generate optimal daily energy harvesting scenario sequences to get a more accurate simulation of the random characteristics of the energy harvesting network. Then taking the actual wind power data as an example, the accuracy and stability of the method are verified by comparing with the real data. Finally, we cite an instance to optimize the network throughput, which indicate the feasibility and effectiveness of the method we proposed from the optimal solution and data analysis in energy harvesting simulation.

An Integrated Optimization Design Method Based on Surrogate Modeling Applied to Diverging Duct Design

NASA Astrophysics Data System (ADS)

Hanan, Lu; Qiushi, Li; Shaobin, Li

2016-12-01

This paper presents an integrated optimization design method in which uniform design, response surface methodology and genetic algorithm are used in combination. In detail, uniform design is used to select the experimental sampling points in the experimental domain and the system performance is evaluated by means of computational fluid dynamics to construct a database. After that, response surface methodology is employed to generate a surrogate mathematical model relating the optimization objective and the design variables. Subsequently, genetic algorithm is adopted and applied to the surrogate model to acquire the optimal solution in the case of satisfying some constraints. The method has been applied to the optimization design of an axisymmetric diverging duct, dealing with three design variables including one qualitative variable and two quantitative variables. The method of modeling and optimization design performs well in improving the duct aerodynamic performance and can be also applied to wider fields of mechanical design and seen as a useful tool for engineering designers, by reducing the design time and computation consumption.

New Method for Measuring the Anchoring Energy of Strongly-Bound Membrane-Associated Proteins [Method for measuring the anchoring energy of strongly-bound membrane-associated proteins].

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

Kent, Michael S.; La Bauve, Elisa; Vernon, Briana C.

Here, we describe a new method to measure the activation energy required to remove a strongly-bound membrane-associated protein from a lipid membrane (anchoring energy). It is based on measuring the rate of release of a liposome-bound protein during centrifugation on a sucrose gradient as a function of time and temperature. The method was used to determine anchoring energy for the soluble dengue virus envelope protein (sE) strongly bound to 80:20 POPC:POPG liposomes at pH 5.5. We also measured the binding energy of sE at the same pH for the initial, predominantly reversible, phase of binding to a 70:30 PC:PG lipidmore » bilayer. The anchoring energy (37 +/- 1.7 kcal/mol, 20% PG) was found to be much larger than the binding energy (7.8 +/- 0.3 kcal/mol for 30% PG, or est. 7.0 kcal/mol for 20% PG). This is consistent with data showing that free sE is a monomer at pH 5.5, but assembles into trimers after associating with membranes. But, trimerization alone is insufficient to account for the observed difference in energies, and we conclude that some energy dissipation occurs during the release process. This new method to determine anchoring energy should be useful to understand the complex interactions of integral monotopic proteins and strongly-bound peripheral membrane proteins with lipid membranes.« less

New Method for Measuring the Anchoring Energy of Strongly-Bound Membrane-Associated Proteins [Method for measuring the anchoring energy of strongly-bound membrane-associated proteins].

DOE PAGES

Kent, Michael S.; La Bauve, Elisa; Vernon, Briana C.; ...

2016-02-01

Here, we describe a new method to measure the activation energy required to remove a strongly-bound membrane-associated protein from a lipid membrane (anchoring energy). It is based on measuring the rate of release of a liposome-bound protein during centrifugation on a sucrose gradient as a function of time and temperature. The method was used to determine anchoring energy for the soluble dengue virus envelope protein (sE) strongly bound to 80:20 POPC:POPG liposomes at pH 5.5. We also measured the binding energy of sE at the same pH for the initial, predominantly reversible, phase of binding to a 70:30 PC:PG lipidmore » bilayer. The anchoring energy (37 +/- 1.7 kcal/mol, 20% PG) was found to be much larger than the binding energy (7.8 +/- 0.3 kcal/mol for 30% PG, or est. 7.0 kcal/mol for 20% PG). This is consistent with data showing that free sE is a monomer at pH 5.5, but assembles into trimers after associating with membranes. But, trimerization alone is insufficient to account for the observed difference in energies, and we conclude that some energy dissipation occurs during the release process. This new method to determine anchoring energy should be useful to understand the complex interactions of integral monotopic proteins and strongly-bound peripheral membrane proteins with lipid membranes.« less

A study of two statistical methods as applied to shuttle solid rocket booster expenditures

NASA Technical Reports Server (NTRS)

Perlmutter, M.; Huang, Y.; Graves, M.

1974-01-01

The state probability technique and the Monte Carlo technique are applied to finding shuttle solid rocket booster expenditure statistics. For a given attrition rate per launch, the probable number of boosters needed for a given mission of 440 launches is calculated. Several cases are considered, including the elimination of the booster after a maximum of 20 consecutive launches. Also considered is the case where the booster is composed of replaceable components with independent attrition rates. A simple cost analysis is carried out to indicate the number of boosters to build initially, depending on booster costs. Two statistical methods were applied in the analysis: (1) state probability method which consists of defining an appropriate state space for the outcome of the random trials, and (2) model simulation method or the Monte Carlo technique. It was found that the model simulation method was easier to formulate while the state probability method required less computing time and was more accurate.

18 CFR 11.11 - Energy gains method of determining headwater benefits charges.

Code of Federal Regulations, 2014 CFR

2014-04-01

... 18 Conservation of Power and Water Resources 1 2014-04-01 2014-04-01 false Energy gains method of... UNDER PART I OF THE FEDERAL POWER ACT Charges for Headwater Benefits § 11.11 Energy gains method of...) cost by the ratio of the energy gains received by the downstream project to the sum of total energy...

18 CFR 11.11 - Energy gains method of determining headwater benefits charges.

Code of Federal Regulations, 2012 CFR

2012-04-01

... 18 Conservation of Power and Water Resources 1 2012-04-01 2012-04-01 false Energy gains method of... UNDER PART I OF THE FEDERAL POWER ACT Charges for Headwater Benefits § 11.11 Energy gains method of...) cost by the ratio of the energy gains received by the downstream project to the sum of total energy...

18 CFR 11.11 - Energy gains method of determining headwater benefits charges.

Code of Federal Regulations, 2011 CFR

2011-04-01

... 18 Conservation of Power and Water Resources 1 2011-04-01 2011-04-01 false Energy gains method of... UNDER PART I OF THE FEDERAL POWER ACT Charges for Headwater Benefits § 11.11 Energy gains method of...) cost by the ratio of the energy gains received by the downstream project to the sum of total energy...

18 CFR 11.11 - Energy gains method of determining headwater benefits charges.

Code of Federal Regulations, 2013 CFR

2013-04-01

... 18 Conservation of Power and Water Resources 1 2013-04-01 2013-04-01 false Energy gains method of... UNDER PART I OF THE FEDERAL POWER ACT Charges for Headwater Benefits § 11.11 Energy gains method of...) cost by the ratio of the energy gains received by the downstream project to the sum of total energy...

18 CFR 11.11 - Energy gains method of determining headwater benefits charges.

Code of Federal Regulations, 2010 CFR

2010-04-01

... 18 Conservation of Power and Water Resources 1 2010-04-01 2010-04-01 false Energy gains method of... UNDER PART I OF THE FEDERAL POWER ACT Charges for Headwater Benefits § 11.11 Energy gains method of...) cost by the ratio of the energy gains received by the downstream project to the sum of total energy...

Applying Nyquist's method for stability determination to solar wind observations

NASA Astrophysics Data System (ADS)

Klein, Kristopher G.; Kasper, Justin C.; Korreck, K. E.; Stevens, Michael L.

2017-10-01

The role instabilities play in governing the evolution of solar and astrophysical plasmas is a matter of considerable scientific interest. The large number of sources of free energy accessible to such nearly collisionless plasmas makes general modeling of unstable behavior, accounting for the temperatures, densities, anisotropies, and relative drifts of a large number of populations, analytically difficult. We therefore seek a general method of stability determination that may be automated for future analysis of solar wind observations. This work describes an efficient application of the Nyquist instability method to the Vlasov dispersion relation appropriate for hot, collisionless, magnetized plasmas, including the solar wind. The algorithm recovers the familiar proton temperature anisotropy instabilities, as well as instabilities that had been previously identified using fits extracted from in situ observations in Gary et al. (2016). Future proposed applications of this method are discussed.

Hybrid radical energy storage device and method of making

DOEpatents

Gennett, Thomas; Ginley, David S.; Braunecker, Wade; Ban, Chunmei; Owczarczyk, Zbyslaw

2016-04-26

Hybrid radical energy storage devices, such as batteries or electrochemical devices, and methods of use and making are disclosed. Also described herein are electrodes and electrolytes useful in energy storage devices, for example, radical polymer cathode materials and electrolytes for use in organic radical batteries.

Hybrid radical energy storage device and method of making

DOEpatents

Gennett, Thomas; Ginley, David S; Braunecker, Wade; Ban, Chunmei; Owczarczyk, Zbyslaw

2015-01-27

Hybrid radical energy storage devices, such as batteries or electrochemical devices, and methods of use and making are disclosed. Also described herein are electrodes and electrolytes useful in energy storage devices, for example, radical polymer cathode materials and electrolytes for use in organic radical batteries.

Acoustic agglomeration methods and apparatus

NASA Technical Reports Server (NTRS)

Barmatz, M. B. (Inventor)

1984-01-01

Methods are described for using acoustic energy to agglomerate fine particles on the order of one micron diameter that are suspended in gas, to provide agglomerates large enough for efficient removal by other techniques. The gas with suspended particles, is passed through the length of a chamber while acoustic energy at a resonant chamber mode is applied to set up one or more acoustic standing wave patterns that vibrate the suspended particles to bring them together so they agglomerate. Several widely different frequencies can be applied to efficiently vibrate particles of widely differing sizes. The standing wave pattern can be applied along directions transversed to the flow of the gas. The particles can be made to move in circles by applying acoustic energy in perpendicular directions with the energy in both directions being of the same wavelength but 90 deg out of phase.

Generalized ensemble method applied to study systems with strong first order transitions

NASA Astrophysics Data System (ADS)

Małolepsza, E.; Kim, J.; Keyes, T.

2015-09-01

At strong first-order phase transitions, the entropy versus energy or, at constant pressure, enthalpy, exhibits convex behavior, and the statistical temperature curve correspondingly exhibits an S-loop or back-bending. In the canonical and isothermal-isobaric ensembles, with temperature as the control variable, the probability density functions become bimodal with peaks localized outside of the S-loop region. Inside, states are unstable, and as a result simulation of equilibrium phase coexistence becomes impossible. To overcome this problem, a method was proposed by Kim, Keyes and Straub [1], where optimally designed generalized ensemble sampling was combined with replica exchange, and denoted generalized replica exchange method (gREM). This new technique uses parametrized effective sampling weights that lead to a unimodal energy distribution, transforming unstable states into stable ones. In the present study, the gREM, originally developed as a Monte Carlo algorithm, was implemented to work with molecular dynamics in an isobaric ensemble and coded into LAMMPS, a highly optimized open source molecular simulation package. The method is illustrated in a study of the very strong solid/liquid transition in water.

Space power technology applied to the energy problem

NASA Technical Reports Server (NTRS)

Miller, J. L.; Morgan, J. R.

1977-01-01

A solution to the energy problem is suggested through the technology of photovoltaic electrolysis of water to generate hydrogen. Efficient solar devices are discussed in relation to available solar energy, and photovoltaic energy cost. It is concluded that photovoltaic electrolytic generation of hydrogen will be economically feasible in 1985.

Methods of applied dynamics

NASA Technical Reports Server (NTRS)

Rheinfurth, M. H.; Wilson, H. B.

1991-01-01

The monograph was prepared to give the practicing engineer a clear understanding of dynamics with special consideration given to the dynamic analysis of aerospace systems. It is conceived to be both a desk-top reference and a refresher for aerospace engineers in government and industry. It could also be used as a supplement to standard texts for in-house training courses on the subject. Beginning with the basic concepts of kinematics and dynamics, the discussion proceeds to treat the dynamics of a system of particles. Both classical and modern formulations of the Lagrange equations, including constraints, are discussed and applied to the dynamic modeling of aerospace structures using the modal synthesis technique.

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.

Cost-Effective Method for Free-Energy Minimization in Complex Systems with Elaborated Ab Initio Potentials.

PubMed

Bistafa, Carlos; Kitamura, Yukichi; Martins-Costa, Marilia T C; Nagaoka, Masataka; Ruiz-López, Manuel F

2018-06-12

We describe a method to locate stationary points in the free-energy hypersurface of complex molecular systems using high-level correlated ab initio potentials. In this work, we assume a combined QM/MM description of the system although generalization to full ab initio potentials or other theoretical schemes is straightforward. The free-energy gradient (FEG) is obtained as the mean force acting on relevant nuclei using a dual level strategy. First, a statistical simulation is carried out using an appropriate, low-level quantum mechanical force-field. Free-energy perturbation (FEP) theory is then used to obtain the free-energy derivatives for the target, high-level quantum mechanical force-field. We show that this composite FEG-FEP approach is able to reproduce the results of a standard free-energy minimization procedure with high accuracy, while simultaneously allowing for a drastic reduction of both computational and wall-clock time. The method has been applied to study the structure of the water molecule in liquid water at the QCISD/aug-cc-pVTZ level of theory, using the sampling from QM/MM molecular dynamics simulations at the B3LYP/6-311+G(d,p) level. The obtained values for the geometrical parameters and for the dipole moment of the water molecule are within the experimental error, and they also display an excellent agreement when compared to other theoretical estimations. The developed methodology represents therefore an important step toward the accurate determination of the mechanism, kinetics, and thermodynamic properties of processes in solution, in enzymes, and in other disordered chemical systems using state-of-the-art ab initio potentials.

Study of five-dimensional potential-energy surfaces for actinide isotopes by the macroscopic-microscopic method

NASA Astrophysics Data System (ADS)

Fan, T. S.; Wang, Z. M.; Zhu, X.; Zhu, W. J.; Zhong, C. L.

2017-09-01

In this work, the nuclear potential-energy of the deformed nuclei as a function of shape coordinates is calculated in a five-dimensional (5D) parameter space of the axially symmetric generalized Lawrence shapes, on the basis of the macroscopic-microscopic method. The liquid-drop part of the nuclear energy is calculated according to the Myers-Swiatecki model and the Lublin-Strasbourg-drop (LSD) formula. The Woods-Saxon and the folded-Yukawa potentials for deformed nuclei are used for the shell and pairing corrections of the Strutinsky-type. The pairing corrections are calculated at zero temperature, T, related to the excitation energy. The eigenvalues of Hamiltonians for protons and neutrons are found by expanding the eigen-functions in terms of harmonic-oscillator wave functions of a spheroid. Then the BCS pair is applied on the smeared-out single-particle spectrum. By comparing the results obtained by different models, the most favorable combination of the macroscopic-microscopic model is known as the LSD formula with the folded-Yukawa potential. Potential-energy landscapes for actinide isotopes are investigated based on a grid of more than 4,000,000 deformation points and the heights of static fission barriers are obtained in terms of a double-humped structure on the full 5D parameter space. In order to locate the ground state shapes, saddle points, scission points and optimal fission path on the calculated 5D potential-energy surface, the falling rain algorithm and immersion method are designed and implemented. The comparison of our results with available experimental data and others' theoretical results confirms the reliability of our calculations.

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.

Applying Mathematical Optimization Methods to an ACT-R Instance-Based Learning Model.

PubMed

Said, Nadia; Engelhart, Michael; Kirches, Christian; Körkel, Stefan; Holt, Daniel V

2016-01-01

Computational models of cognition provide an interface to connect advanced mathematical tools and methods to empirically supported theories of behavior in psychology, cognitive science, and neuroscience. In this article, we consider a computational model of instance-based learning, implemented in the ACT-R cognitive architecture. We propose an approach for obtaining mathematical reformulations of such cognitive models that improve their computational tractability. For the well-established Sugar Factory dynamic decision making task, we conduct a simulation study to analyze central model parameters. We show how mathematical optimization techniques can be applied to efficiently identify optimal parameter values with respect to different optimization goals. Beyond these methodological contributions, our analysis reveals the sensitivity of this particular task with respect to initial settings and yields new insights into how average human performance deviates from potential optimal performance. We conclude by discussing possible extensions of our approach as well as future steps towards applying more powerful derivative-based optimization methods.

Data Mining Methods Applied to Flight Operations Quality Assurance Data: A Comparison to Standard Statistical Methods

NASA Technical Reports Server (NTRS)

Stolzer, Alan J.; Halford, Carl

2007-01-01

In a previous study, multiple regression techniques were applied to Flight Operations Quality Assurance-derived data to develop parsimonious model(s) for fuel consumption on the Boeing 757 airplane. The present study examined several data mining algorithms, including neural networks, on the fuel consumption problem and compared them to the multiple regression results obtained earlier. Using regression methods, parsimonious models were obtained that explained approximately 85% of the variation in fuel flow. In general data mining methods were more effective in predicting fuel consumption. Classification and Regression Tree methods reported correlation coefficients of .91 to .92, and General Linear Models and Multilayer Perceptron neural networks reported correlation coefficients of about .99. These data mining models show great promise for use in further examining large FOQA databases for operational and safety improvements.

Local regression type methods applied to the study of geophysics and high frequency financial data

NASA Astrophysics Data System (ADS)

Mariani, M. C.; Basu, K.

2014-09-01

In this work we applied locally weighted scatterplot smoothing techniques (Lowess/Loess) to Geophysical and high frequency financial data. We first analyze and apply this technique to the California earthquake geological data. A spatial analysis was performed to show that the estimation of the earthquake magnitude at a fixed location is very accurate up to the relative error of 0.01%. We also applied the same method to a high frequency data set arising in the financial sector and obtained similar satisfactory results. The application of this approach to the two different data sets demonstrates that the overall method is accurate and efficient, and the Lowess approach is much more desirable than the Loess method. The previous works studied the time series analysis; in this paper our local regression models perform a spatial analysis for the geophysics data providing different information. For the high frequency data, our models estimate the curve of best fit where data are dependent on time.

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.

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.

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and tests of the optimization method with single training proteins

PubMed Central

Liwo, Adam; Khalili, Mey; Czaplewski, Cezary; Kalinowski, Sebastian; Ołdziej, Stanisław; Wachucik, Katarzyna; Scheraga, Harold A.

2011-01-01

We report the modification and parameterization of the united-residue (UNRES) force field for energy-based protein-structure prediction and protein-folding simulations. We tested the approach on three training proteins separately: 1E0L (β), 1GAB (α), and 1E0G (α + β). Heretofore, the UNRES force field had been designed and parameterized to locate native-like structures of proteins as global minima of their effective potential-energy surfaces, which largely neglected the conformational entropy because decoys composed of only lowest-energy conformations were used to optimize the force field. Recently, we developed a mesoscopic dynamics procedure for UNRES, and applied it with success to simulate protein folding pathways. How ever, the force field turned out to be largely biased towards α-helical structures in canonical simulations because the conformational entropy had been neglected in the parameterization. We applied the hierarchical optimization method developed in our earlier work to optimize the force field, in which the conformational space of a training protein is divided into levels each corresponding to a certain degree of native-likeness. The levels are ordered according to increasing native-likeness; level 0 corresponds to structures with no native-like elements and the highest level corresponds to the fully native-like structures. The aim of optimization is to achieve the order of the free energies of levels, decreasing as their native-likeness increases. The procedure is iterative, and decoys of the training protein(s) generated with the energy-function parameters of the preceding iteration are used to optimize the force field in a current iteration. We applied the multiplexing replica exchange molecular dynamics (MREMD) method, recently implemented in UNRES, to generate decoys; with this modification, conformational entropy is taken into account. Moreover, we optimized the free-energy gaps between levels at temperatures corresponding to a

Resonance strength measurement at astrophysical energies: The {sup 17}O(p,α){sup 14}N reaction studied via Trojan Horse Method

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

Sergi, M. L., E-mail: sergi@lns.infn.it; La Cognata, M.; Pizzone, R. G.

2015-10-15

In recent years, the Trojan Horse Method (THM) has been used to investigate the low-energy cross sections of proton-induced reactions on {sup 17}O nuclei, overcoming extrapolation procedures and enhancement effects due to electron screening. We will report on the indirect study of the {sup 17}O(p,α){sup 14}N reaction via the THM by applying the approach developed for extracting the resonance strength of narrow resonance in the ultralow energy region. Two measurements will be described and the experimental THM cross sections will be shown for both experiments.

Applying simulation model to uniform field space charge distribution measurements by the PEA method

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

Liu, Y.; Salama, M.M.A.

1996-12-31

Signals measured under uniform fields by the Pulsed Electroacoustic (PEA) method have been processed by the deconvolution procedure to obtain space charge distributions since 1988. To simplify data processing, a direct method has been proposed recently in which the deconvolution is eliminated. However, the surface charge cannot be represented well by the method because the surface charge has a bandwidth being from zero to infinity. The bandwidth of the charge distribution must be much narrower than the bandwidths of the PEA system transfer function in order to apply the direct method properly. When surface charges can not be distinguished frommore » space charge distributions, the accuracy and the resolution of the obtained space charge distributions decrease. To overcome this difficulty a simulation model is therefore proposed. This paper shows their attempts to apply the simulation model to obtain space charge distributions under plane-plane electrode configurations. Due to the page limitation for the paper, the charge distribution originated by the simulation model is compared to that obtained by the direct method with a set of simulated signals.« less

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.

Prediction of hot spot residues at protein-protein interfaces by combining machine learning and energy-based methods.

PubMed

Lise, Stefano; Archambeau, Cedric; Pontil, Massimiliano; Jones, David T

2009-10-30

Alanine scanning mutagenesis is a powerful experimental methodology for investigating the structural and energetic characteristics of protein complexes. Individual amino-acids are systematically mutated to alanine and changes in free energy of binding (DeltaDeltaG) measured. Several experiments have shown that protein-protein interactions are critically dependent on just a few residues ("hot spots") at the interface. Hot spots make a dominant contribution to the free energy of binding and if mutated they can disrupt the interaction. As mutagenesis studies require significant experimental efforts, there is a need for accurate and reliable computational methods. Such methods would also add to our understanding of the determinants of affinity and specificity in protein-protein recognition. We present a novel computational strategy to identify hot spot residues, given the structure of a complex. We consider the basic energetic terms that contribute to hot spot interactions, i.e. van der Waals potentials, solvation energy, hydrogen bonds and Coulomb electrostatics. We treat them as input features and use machine learning algorithms such as Support Vector Machines and Gaussian Processes to optimally combine and integrate them, based on a set of training examples of alanine mutations. We show that our approach is effective in predicting hot spots and it compares favourably to other available methods. In particular we find the best performances using Transductive Support Vector Machines, a semi-supervised learning scheme. When hot spots are defined as those residues for which DeltaDeltaG >or= 2 kcal/mol, our method achieves a precision and a recall respectively of 56% and 65%. We have developed an hybrid scheme in which energy terms are used as input features of machine learning models. This strategy combines the strengths of machine learning and energy-based methods. Although so far these two types of approaches have mainly been applied separately to biomolecular problems

Developing the Effective Method of Spectral Harmonic Energy Ratio to Analyze the Arterial Pulse Spectrum

PubMed Central

Huang, Chin-Ming; Wei, Ching-Chuan; Liao, Yin-Tzu; Chang, Hsien-Cheh; Kao, Shung-Te; Li, Tsai-Chung

2011-01-01

In this article, we analyze the arterial pulse in the spectral domain. A parameter, the spectral harmonic energy ratio (SHER), is developed to assess the features of the overly decreased spectral energy in the fourth to sixth harmonic for palpitation patients. Compared with normal subjects, the statistical results reveal that the mean value of SHER in the patient group (57.7 ± 27.9) is significantly higher than that of the normal group (39.7 ± 20.9) (P-value = .0066 < .01). This means that the total energy in the fourth to sixth harmonic of palpitation patients is significantly less than it is in normal subjects. In other words, the spectral distribution of the arterial pulse gradually decreases for normal subjects while it decreases abruptly in higher-order harmonics (the fourth, fifth and sixth harmonics) for palpitation patients. Hence, SHER is an effective method to distinguish the two groups in the spectral domain. Also, we can thus know that a “gradual decrease” might mean a “balanced” state, whereas an “abrupt decrease” might mean an “unbalanced” state in blood circulation and pulse diagnosis. By SHER, we can determine the ratio of energy distribution in different harmonic bands, and this method gives us a novel viewpoint from which to comprehend and quantify the spectral harmonic distribution of circulation information conveyed by the arterial pulse. These concepts can be further applied to improve the clinical diagnosis not only in Western medicine but also in traditional Chinese medicine (TCM). PMID:21845200

Resonance treatment using pin-based pointwise energy slowing-down method

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

Choi, Sooyoung, E-mail: csy0321@unist.ac.kr; Lee, Changho, E-mail: clee@anl.gov; Lee, Deokjung, E-mail: deokjung@unist.ac.kr

A new resonance self-shielding method using a pointwise energy solution has been developed to overcome the drawbacks of the equivalence theory. The equivalence theory uses a crude resonance scattering source approximation, and assumes a spatially constant scattering source distribution inside a fuel pellet. These two assumptions cause a significant error, in that they overestimate the multi-group effective cross sections, especially for {sup 238}U. The new resonance self-shielding method solves pointwise energy slowing-down equations with a sub-divided fuel rod. The method adopts a shadowing effect correction factor and fictitious moderator material to model a realistic pointwise energy solution. The slowing-down solutionmore » is used to generate the multi-group cross section. With various light water reactor problems, it was demonstrated that the new resonance self-shielding method significantly improved accuracy in the reactor parameter calculation with no compromise in computation time, compared to the equivalence theory.« less

Efficient Iterative Methods Applied to the Solution of Transonic Flows

NASA Astrophysics Data System (ADS)

Wissink, Andrew M.; Lyrintzis, Anastasios S.; Chronopoulos, Anthony T.

1996-02-01

We investigate the use of an inexact Newton's method to solve the potential equations in the transonic regime. As a test case, we solve the two-dimensional steady transonic small disturbance equation. Approximate factorization/ADI techniques have traditionally been employed for implicit solutions of this nonlinear equation. Instead, we apply Newton's method using an exact analytical determination of the Jacobian with preconditioned conjugate gradient-like iterative solvers for solution of the linear systems in each Newton iteration. Two iterative solvers are tested; a block s-step version of the classical Orthomin(k) algorithm called orthogonal s-step Orthomin (OSOmin) and the well-known GMRES method. The preconditioner is a vectorizable and parallelizable version of incomplete LU (ILU) factorization. Efficiency of the Newton-Iterative method on vector and parallel computer architectures is the main issue addressed. In vectorized tests on a single processor of the Cray C-90, the performance of Newton-OSOmin is superior to Newton-GMRES and a more traditional monotone AF/ADI method (MAF) for a variety of transonic Mach numbers and mesh sizes. Newton-GMRES is superior to MAF for some cases. The parallel performance of the Newton method is also found to be very good on multiple processors of the Cray C-90 and on the massively parallel thinking machine CM-5, where very fast execution rates (up to 9 Gflops) are found for large problems.

A comparative analysis of environmental impacts of non-fossil energy production methods

NASA Astrophysics Data System (ADS)

Kiss, Adam

2014-12-01

The widespread proliferation of other then fossil based energy production methods is a development, which inevitable comes in the next future. It is proven that the photovoltaic conversion or the use of heat of Sun radiation, the water energy, the utilization of the wind, the biomass production, the use of geothermal energy can all produce big amounts of energy for human use. In addition, the nuclear energy from fission is a technology, which has already long history and is widely used. However, these all, like the fossil energy sources, have great impacts on the environment. Nevertheless, the comparison of the environmental effects of these alternative energy sources is not easy. The effects are of considerable different natures and their spatial and the time distributions vary on large scales. The present work overviews the principles and the methodological prerequisites of performing a comparative analysis of the environmental effects for the non-fossil energy production methods. After establishing the basic principles for comparison, we shall go through all the non-fossil energy sources and analyze the most important environmental impacts of each energy production method. In conclusion, the comparison of the environmental effects will be discussed.

Methods for assessing the energy-saving efficiency of industrial symbiosis in industrial parks.

PubMed

Li, Wenfeng; Cui, Zhaojie; Han, Feng

2015-01-01

The available energy resources are being depleted worldwide. Industrial symbiosis (IS) provides a promising approach for increasing the efficiency of energy utilization, with numerous studies reporting the superiority of this technology. However, studies quantifying the energy-saving efficiency of IS remain insufficient. This paper proposes an index system for the quantitative evaluation of the energy-saving efficiency of IS. Both energy-saving and financial indexes were selected, the former include the IS energy-saving index, the contribution rate of energy saved through IS, fractional energy savings, and cut rate of energy consumption per total output value; and the latter include the IS investment payback period, IS input-output ratio, net present value (NPV), and internal rate of return (IRR) of IS. The proposed methods were applied to a case study on the XF Industrial Park (XF IP), in the city of Liaocheng in Shandong Province of China. Three energy-saving channels using IS were found in the XF IP: (a) utilizing the energy of high-temperature materials among industrial processes, (b) recovering waste heat and steam between different processes, and (c) saving energy by sharing infrastructures. The results showed that the energy efficiency index of IS was 0.326, accounting for 34.6% of the comprehensive energy-saving index in 2011, and the fractional energy-savings were 12.42%. The index of energy consumption per total industrial output value varied from 90.9 tce/MRMB to 51.6 tce/MRMB. Thus, the cut rate of energy consumption per total industrial output value was 43.42%. The average values of the IS input-output ratio was 406.2 RMB/tce, 57.2% lower than the price of standard coal. Static investment payback period in the XF IP was 8.5 months, indicating that the XF IP began to earn profit 8.5 months after the construction of all IS modes. The NVP and IRR of each IS mode in the XF IP were greater than zero, with average values equal to 1,789.96 MRMB and 140

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

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

D'Elia, M.; Edwards, H. C.; Hu, J.

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Ensemble Grouping Strategies for Embedded Stochastic Collocation Methods Applied to Anisotropic Diffusion Problems

DOE PAGES

D'Elia, M.; Edwards, H. C.; Hu, J.; ...

2018-01-18

Previous work has demonstrated that propagating groups of samples, called ensembles, together through forward simulations can dramatically reduce the aggregate cost of sampling-based uncertainty propagation methods [E. Phipps, M. D'Elia, H. C. Edwards, M. Hoemmen, J. Hu, and S. Rajamanickam, SIAM J. Sci. Comput., 39 (2017), pp. C162--C193]. However, critical to the success of this approach when applied to challenging problems of scientific interest is the grouping of samples into ensembles to minimize the total computational work. For example, the total number of linear solver iterations for ensemble systems may be strongly influenced by which samples form the ensemble whenmore » applying iterative linear solvers to parameterized and stochastic linear systems. In this paper we explore sample grouping strategies for local adaptive stochastic collocation methods applied to PDEs with uncertain input data, in particular canonical anisotropic diffusion problems where the diffusion coefficient is modeled by truncated Karhunen--Loève expansions. Finally, we demonstrate that a measure of the total anisotropy of the diffusion coefficient is a good surrogate for the number of linear solver iterations for each sample and therefore provides a simple and effective metric for grouping samples.« less

Constrained energy minimization applied to apparent reflectance and single-scattering albedo spectra: a comparison

NASA Astrophysics Data System (ADS)

Resmini, Ronald G.; Graver, William R.; Kappus, Mary E.; Anderson, Mark E.

1996-11-01

Constrained energy minimization (CEM) has been applied to the mapping of the quantitative areal distribution of the mineral alunite in an approximately 1.8 km2 area of the Cuprite mining district, Nevada. CEM is a powerful technique for rapid quantitative mineral mapping which requires only the spectrum of the mineral to be mapped. A priori knowledge of background spectral signatures is not required. Our investigation applies CEM to calibrated radiance data converted to apparent reflectance (AR) and to single scattering albedo (SSA) spectra. The radiance data were acquired by the 210 channel, 0.4 micrometers to 2.5 micrometers airborne Hyperspectral Digital Imagery Collection Experiment sensor. CEM applied to AR spectra assumes linear mixing of the spectra of the materials exposed at the surface. This assumption is likely invalid as surface materials, which are often mixtures of particulates of different substances, are more properly modeled as intimate mixtures and thus spectral mixing analyses must take account of nonlinear effects. One technique for approximating nonlinear mixing requires the conversion of AR spectra to SSA spectra. The results of CEM applied to SSA spectra are compared to those of CEM applied to AR spectra. The occurrence of alunite is similar though not identical to mineral maps produced with both the SSA and AR spectra. Alunite is slightly more widespread based on processing with the SSA spectra. Further, fractional abundances derived from the SSA spectra are, in general, higher than those derived from AR spectra. Implications for the interpretation of quantitative mineral mapping with hyperspectral remote sensing data are discussed.

Generalized ensemble method applied to study systems with strong first order transitions

DOE PAGES

Malolepsza, E.; Kim, J.; Keyes, T.

2015-09-28

At strong first-order phase transitions, the entropy versus energy or, at constant pressure, enthalpy, exhibits convex behavior, and the statistical temperature curve correspondingly exhibits an S-loop or back-bending. In the canonical and isothermal-isobaric ensembles, with temperature as the control variable, the probability density functions become bimodal with peaks localized outside of the S-loop region. Inside, states are unstable, and as a result simulation of equilibrium phase coexistence becomes impossible. To overcome this problem, a method was proposed by Kim, Keyes and Straub, where optimally designed generalized ensemble sampling was combined with replica exchange, and denoted generalized replica exchange method (gREM).more » This new technique uses parametrized effective sampling weights that lead to a unimodal energy distribution, transforming unstable states into stable ones. In the present study, the gREM, originally developed as a Monte Carlo algorithm, was implemented to work with molecular dynamics in an isobaric ensemble and coded into LAMMPS, a highly optimized open source molecular simulation package. Lastly, the method is illustrated in a study of the very strong solid/liquid transition in water.« less

Applying the Multiple Signal Classification Method to Silent Object Detection Using Ambient Noise

NASA Astrophysics Data System (ADS)

Mori, Kazuyoshi; Yokoyama, Tomoki; Hasegawa, Akio; Matsuda, Minoru

2004-05-01

The revolutionary concept of using ocean ambient noise positively to detect objects, called acoustic daylight imaging, has attracted much attention. The authors attempted the detection of a silent target object using ambient noise and a wide-band beam former consisting of an array of receivers. In experimental results obtained in air, using the wide-band beam former, we successfully applied the delay-sum array (DSA) method to detect a silent target object in an acoustic noise field generated by a large number of transducers. This paper reports some experimental results obtained by applying the multiple signal classification (MUSIC) method to a wide-band beam former to detect silent targets. The ocean ambient noise was simulated by transducers decentralized to many points in air. Both MUSIC and DSA detected a spherical target object in the noise field. The relative power levels near the target obtained with MUSIC were compared with those obtained by DSA. Then the effectiveness of the MUSIC method was evaluated according to the rate of increase in the maximum and minimum relative power levels.

Methods for evaluating the biological impact of potentially toxic waste applied to soils

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

Neuhauser, E.F.; Loehr, R.C.; Malecki, M.R.

1985-12-01

The study was designed to evaluate two methods that can be used to estimate the biological impact of organics and inorganics that may be in wastes applied to land for treatment and disposal. The two methods were the contact test and the artificial soil test. The contact test is a 48 hr test using an adult worm, a small glass vial, and filter paper to which the test chemical or waste is applied. The test is designed to provide close contact between the worm and a chemical similar to the situation in soils. The method provides a rapid estimate ofmore » the relative toxicity of chemicals and industrial wastes. The artificial soil test uses a mixture of sand, kaolin, peat, and calcium carbonate as a representative soil. Different concentrations of the test material are added to the artificial soil, adult worms are added and worm survival is evaluated after two weeks. These studies have shown that: earthworms can distinguish between a wide variety of chemicals with a high degree of accuracy.« less

Chapter 10: Peak Demand and Time-Differentiated Energy Savings Cross-Cutting 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; Stern, Frank; Spencer, Justin

Savings from electric energy efficiency measures and programs are often expressed in terms of annual energy and presented as kilowatt-hours per year (kWh/year). However, for a full assessment of the value of these savings, it is usually necessary to consider the measure or program's impact on peak demand as well as time-differentiated energy savings. This cross-cutting protocol describes methods for estimating the peak demand and time-differentiated energy impacts of measures implemented through energy efficiency programs.

Dietary energy density: Applying behavioural science to weight management.

PubMed

Rolls, B J

2017-09-01

Studies conducted by behavioural scientists show that energy density (kcal/g) provides effective guidance for healthy food choices to control intake and promote satiety. Energy density depends upon a number of dietary components, especially water (0 kcal/g) and fat (9 kcal/g). Increasing the proportion of water or water-rich ingredients, such as vegetables or fruit, lowers a food's energy density. A number of studies show that when the energy density of the diet is reduced, both adults and children spontaneously decrease their ad libitum energy intake. Other studies show that consuming a large volume of a low-energy-dense food such as soup, salad, or fruit as a first course preload can enhance satiety and reduce overall energy intake at a meal. Current evidence suggests that energy density influences intake through a complex interplay of cognitive, sensory, gastrointestinal, hormonal and neural influences. Other studies that focus on practical applications show how the strategic incorporation of foods lower in energy density into the diet allows people to eat satisfying portions while improving dietary patterns. This review discusses studies that have led to greater understanding of the importance of energy density for food intake regulation and weight management.

R and D Evaluation Workshop report, U.S. Department of Energy, Office of Energy Research, September 7--8, 1995

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

Jordan, G.

1995-10-30

The objective of the workshop was to promote discussions between experts and research managers on developing approaches for assessing the impact of DOE`s basic energy research upon the energy mission, applied research, technology transfer, the economy, and society. The purpose of this impact assessment is to demonstrate results and improve ER research programs in this era when basic research is expected to meet changing national economic and social goals. The questions addressed were: (1) By what criteria and metrics does Energy Research measure performance and evaluate its impact on the DOE mission and society while maintaining an environment that fostersmore » basic research? (2) What combination of evaluation methods best applies to assessing the performance and impact of OBES basic research? The focus will be upon the following methods: Case studies, User surveys, Citation analysis, TRACES approach, Return on DOE investment (ROI)/Econometrics, and Expert panels. (3) What combination of methods and specific rules of thumb can be applied to capture impacts along the spectrum from basic research to products and societal impacts?« less

Dual Energy Method for Breast Imaging: A Simulation Study.

PubMed

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

2015-01-01

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

Dual Energy Method for Breast Imaging: A Simulation Study

PubMed Central

2015-01-01

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

Nutrient Runoff Losses from Liquid Dairy Manure Applied with Low-Disturbance Methods.

PubMed

Jokela, William; Sherman, Jessica; Cavadini, Jason

2016-09-01

Manure applied to cropland is a source of phosphorus (P) and nitrogen (N) in surface runoff and can contribute to impairment of surface waters. Tillage immediately after application incorporates manure into the soil, which may reduce nutrient loss in runoff as well as N loss via NH volatilization. However, tillage also incorporates crop residue, which reduces surface cover and may increase erosion potential. We applied liquid dairy manure in a silage corn ( L.)-cereal rye ( L.) cover crop system in late October using methods designed to incorporate manure with minimal soil and residue disturbance. These include strip-till injection and tine aerator-band manure application, which were compared with standard broadcast application, either incorporated with a disk or left on the surface. Runoff was generated with a portable rainfall simulator (42 mm h for 30 min) three separate times: (i) 2 to 5 d after the October manure application, (ii) in early spring, and (iii) after tillage and planting. In the postmanure application runoff, the highest losses of total P and dissolved reactive P were from surface-applied manure. Dissolved P loss was reduced 98% by strip-till injection; this result was not statistically different from the no-manure control. Reductions from the aerator band method and disk incorporation were 53 and 80%, respectively. Total P losses followed a similar pattern, with 87% reduction from injected manure. Runoff losses of N had generally similar patterns to those of P. Losses of P and N were, in most cases, lower in the spring rain simulations with fewer significant treatment effects. Overall, results show that low-disturbance manure application methods can significantly reduce nutrient runoff losses compared with surface application while maintaining residue cover better than incorporation by tillage. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

Applying Acquisition Lessons Learned to Operational Energy Initiatives

DTIC Science & Technology

2013-03-01

current and future platforms to meet the demands of Energy-Informed Operations. Endnotes 1 Charles F. Wald , and Tom Captain, Energy Security America’s...2013); Wald and Captain, Energy Security America’s Best Defense, 1. 3 The Army’s agile process involves seven phases and three decision points to...https://acc.dau.mil/adl/en- US/329976/file/47235/EVM_Report_to_Congress.pdf (accessed January 14, 2013). 22 Lisa Pracchia, “The AV-8B Team Learns Synergy

Autonomous Correction of Sensor Data Applied to Building Technologies Using Filtering Methods

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

Castello, Charles C; New, Joshua Ryan; Smith, Matt K

2013-01-01

Sensor data validity is extremely important in a number of applications, particularly building technologies where collected data are used to determine performance. An example of this is Oak Ridge National Laboratory s ZEBRAlliance research project, which consists of four single-family homes located in Oak Ridge, TN. The homes are outfitted with a total of 1,218 sensors to determine the performance of a variety of different technologies integrated within each home. Issues arise with such a large amount of sensors, such as missing or corrupt data. This paper aims to eliminate these problems using: (1) Kalman filtering and (2) linear predictionmore » filtering techniques. Five types of data are the focus of this paper: (1) temperature; (2) humidity; (3) energy consumption; (4) pressure; and (5) airflow. Simulations show the Kalman filtering method performed best in predicting temperature, humidity, pressure, and airflow data, while the linear prediction filtering method performed best with energy consumption data.« less

New estimation method of neutron skyshine for a high-energy particle accelerator

NASA Astrophysics Data System (ADS)

Oh, Joo-Hee; Jung, Nam-Suk; Lee, Hee-Seock; Ko, Seung-Kook

2016-09-01

A skyshine is the dominant component of the prompt radiation at off-site. Several experimental studies have been done to estimate the neutron skyshine at a few accelerator facilities. In this work, the neutron transports from a source place to off-site location were simulated using the Monte Carlo codes, FLUKA and PHITS. The transport paths were classified as skyshine, direct (transport), groundshine and multiple-shine to understand the contribution of each path and to develop a general evaluation method. The effect of each path was estimated in the view of the dose at far locations. The neutron dose was calculated using the neutron energy spectra obtained from each detector placed up to a maximum of 1 km from the accelerator. The highest altitude of the sky region in this simulation was set as 2 km from the floor of the accelerator facility. The initial model of this study was the 10 GeV electron accelerator, PAL-XFEL. Different compositions and densities of air, soil and ordinary concrete were applied in this calculation, and their dependences were reviewed. The estimation method used in this study was compared with the well-known methods suggested by Rindi, Stevenson and Stepleton, and also with the simple code, SHINE3. The results obtained using this method agreed well with those using Rindi's formula.

A Low Cost Concept for Data Acquisition Systems Applied to Decentralized Renewable Energy Plants

PubMed Central

Jucá, Sandro C. S.; Carvalho, Paulo C. M.; Brito, Fábio T.

2011-01-01

The present paper describes experiences of the use of monitoring and data acquisition systems (DAS) and proposes a new concept of a low cost DAS applied to decentralized renewable energy (RE) plants with an USB interface. The use of such systems contributes to disseminate these plants, recognizing in real time local energy resources, monitoring energy conversion efficiency and sending information concerning failures. These aspects are important, mainly for developing countries, where decentralized power plants based on renewable sources are in some cases the best option for supplying electricity to rural areas. Nevertheless, the cost of commercial DAS is still a barrier for a greater dissemination of such systems in developing countries. The proposed USB based DAS presents a new dual clock operation philosophy, in which the acquisition system contains two clock sources for parallel information processing from different communication protocols. To ensure the low cost of the DAS and to promote the dissemination of this technology in developing countries, the proposed data acquisition firmware and the software for USB microcontrollers programming is a free and open source software, executable in the Linux and Windows® operating systems. PMID:22346600

A low cost concept for data acquisition systems applied to decentralized renewable energy plants.

PubMed

Jucá, Sandro C S; Carvalho, Paulo C M; Brito, Fábio T

2011-01-01

The present paper describes experiences of the use of monitoring and data acquisition systems (DAS) and proposes a new concept of a low cost DAS applied to decentralized renewable energy (RE) plants with an USB interface. The use of such systems contributes to disseminate these plants, recognizing in real time local energy resources, monitoring energy conversion efficiency and sending information concerning failures. These aspects are important, mainly for developing countries, where decentralized power plants based on renewable sources are in some cases the best option for supplying electricity to rural areas. Nevertheless, the cost of commercial DAS is still a barrier for a greater dissemination of such systems in developing countries. The proposed USB based DAS presents a new dual clock operation philosophy, in which the acquisition system contains two clock sources for parallel information processing from different communication protocols. To ensure the low cost of the DAS and to promote the dissemination of this technology in developing countries, the proposed data acquisition firmware and the software for USB microcontrollers programming is a free and open source software, executable in the Linux and Windows® operating systems.

Applying the Scientific Method of Cybersecurity Research

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

Tardiff, Mark F.; Bonheyo, George T.; Cort, Katherine A.

The cyber environment has rapidly evolved from a curiosity to an essential component of the contemporary world. As the cyber environment has expanded and become more complex, so have the nature of adversaries and styles of attacks. Today, cyber incidents are an expected part of life. As a result, cybersecurity research emerged to address adversarial attacks interfering with or preventing normal cyber activities. Historical response to cybersecurity attacks is heavily skewed to tactical responses with an emphasis on rapid recovery. While threat mitigation is important and can be time critical, a knowledge gap exists with respect to developing the sciencemore » of cybersecurity. Such a science will enable the development and testing of theories that lead to understanding the broad sweep of cyber threats and the ability to assess trade-offs in sustaining network missions while mitigating attacks. The Asymmetric Resilient Cybersecurity Initiative at Pacific Northwest National Laboratory is a multi-year, multi-million dollar investment to develop approaches for shifting the advantage to the defender and sustaining the operability of systems under attack. The initiative established a Science Council to focus attention on the research process for cybersecurity. The Council shares science practices, critiques research plans, and aids in documenting and reporting reproducible research results. The Council members represent ecology, economics, statistics, physics, computational chemistry, microbiology and genetics, and geochemistry. This paper reports the initial work of the Science Council to implement the scientific method in cybersecurity research. The second section describes the scientific method. The third section in this paper discusses scientific practices for cybersecurity research. Section four describes initial impacts of applying the science practices to cybersecurity research.« less

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"

Teaching organization theory for healthcare management: three applied learning methods.

PubMed

Olden, Peter C

2006-01-01

Organization theory (OT) provides a way of seeing, describing, analyzing, understanding, and improving organizations based on patterns of organizational design and behavior (Daft 2004). It gives managers models, principles, and methods with which to diagnose and fix organization structure, design, and process problems. Health care organizations (HCOs) face serious problems such as fatal medical errors, harmful treatment delays, misuse of scarce nurses, costly inefficiency, and service failures. Some of health care managers' most critical work involves designing and structuring their organizations so their missions, visions, and goals can be achieved-and in some cases so their organizations can survive. Thus, it is imperative that graduate healthcare management programs develop effective approaches for teaching OT to students who will manage HCOs. Guided by principles of education, three applied teaching/learning activities/assignments were created to teach OT in a graduate healthcare management program. These educationalmethods develop students' competency with OT applied to HCOs. The teaching techniques in this article may be useful to faculty teaching graduate courses in organization theory and related subjects such as leadership, quality, and operation management.

An Ultrasonic Guided Wave Method to Estimate Applied Biaxial Loads (Preprint)

DTIC Science & Technology

2011-11-01

VALIDATION A fatigue test was performed with an array of six surface-bonded PZT transducers on a 6061 aluminum plate as shown in Figure 4. The specimen...direct paths of propagation are oriented at different angles. This method is applied to experimental sparse array data recorded during a fatigue test...and the additional complication of the resulting fatigue cracks interfering with some of the direct arrivals is addressed via proper selection of

Low-energy ion-backscattering spectroscopies applied to the determination of surface structure

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

Yarmoff, J.A.

1985-01-01

Low-Energy Ion Scattering (LEIS) was investigated as a means for determining the geometric structure at a single-crystal surface. A three-dimensional Monte-Carlo computer simulation was developed and applied to existing LEIS data. The binary collision approximation was found to yield satisfactory results in simulating Buck's time-of-flight energy spectra for 2.4 keV Ne/sup +/ scattering from Ni(001). A two-atom-layer model was used in calculations of the azimuthal anisotropy of the ion yield measured by Bernheim and Slodzian for 9.5 keV Ne/sup +/ scattering from Cu(001). The calculations were successful in reproducing most of the features that had been observed in the experiments,more » which shows that this model contained most of the physics required to interpret the data. An apparatus for performing LEIS studies was built, and Low-Energy Ion-Backscattering Angular Distributions (LEIBAD) were collected with 3-20 keV /sup 6/Li/sup +/ incident on Cu(001). For incidence along a low-index Miller axis of the crystal, shadowing effects limited the penetration depth of the elastically scattered ions. However, neutralized Li atoms, which were not filtered out of the scattered yield by the high-pass filter, provided a background characteristic of the bulk. A high-resolution electrostatic analyzer was used to collect impact Collision Ion Scattering Spectroscopy (ICISS) data for 5-keV /sup 6/Li/sup +/ ions to study the Cu(110) and Cu(110) (2 x 1)-0 surfaces.« less

Efficient iterative methods applied to the solution of transonic flows

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

Wissink, A.M.; Lyrintzis, A.S.; Chronopoulos, A.T.

1996-02-01

We investigate the use of an inexact Newton`s method to solve the potential equations in the transonic regime. As a test case, we solve the two-dimensional steady transonic small disturbance equation. Approximate factorization/ADI techniques have traditionally been employed for implicit solutions of this nonlinear equation. Instead, we apply Newton`s method using an exact analytical determination of the Jacobian with preconditioned conjugate gradient-like iterative solvers for solution of the linear systems in each Newton iteration. Two iterative solvers are tested; a block s-step version of the classical Orthomin(k) algorithm called orthogonal s-step Orthomin (OSOmin) and the well-known GIVIRES method. The preconditionermore » is a vectorizable and parallelizable version of incomplete LU (ILU) factorization. Efficiency of the Newton-Iterative method on vector and parallel computer architectures is the main issue addressed. In vectorized tests on a single processor of the Cray C-90, the performance of Newton-OSOmin is superior to Newton-GMRES and a more traditional monotone AF/ADI method (MAF) for a variety of transonic Mach numbers and mesh sizes. Newton- GIVIRES is superior to MAF for some cases. The parallel performance of the Newton method is also found to be very good on multiple processors of the Cray C-90 and on the massively parallel thinking machine CM-5, where very fast execution rates (up to 9 Gflops) are found for large problems. 38 refs., 14 figs., 7 tabs.« less

Exploring the protein folding free energy landscape: coupling replica exchange method with P3ME/RESPA algorithm.

PubMed

Zhou, Ruhong

2004-05-01

A highly parallel replica exchange method (REM) that couples with a newly developed molecular dynamics algorithm particle-particle particle-mesh Ewald (P3ME)/RESPA has been proposed for efficient sampling of protein folding free energy landscape. The algorithm is then applied to two separate protein systems, beta-hairpin and a designed protein Trp-cage. The all-atom OPLSAA force field with an explicit solvent model is used for both protein folding simulations. Up to 64 replicas of solvated protein systems are simulated in parallel over a wide range of temperatures. The combined trajectories in temperature and configurational space allow a replica to overcome free energy barriers present at low temperatures. These large scale simulations reveal detailed results on folding mechanisms, intermediate state structures, thermodynamic properties and the temperature dependences for both protein systems.

Integrating experimental and numerical methods for a scenario-based quantitative assessment of subsurface energy storage options

NASA Astrophysics Data System (ADS)

Kabuth, Alina; Dahmke, Andreas; Hagrey, Said Attia al; Berta, Márton; Dörr, Cordula; Koproch, Nicolas; Köber, Ralf; Köhn, Daniel; Nolde, Michael; Tilmann Pfeiffer, Wolf; Popp, Steffi; Schwanebeck, Malte; Bauer, Sebastian

2016-04-01

second example, the option of seasonal hydrogen storage in a deep saline aquifer is considered. The induced thermal and hydraulic multiphase flow processes were simulated. Also, an integrative approach towards geophysical monitoring of gas presence was evaluated by synthetically applying these monitoring methods to the synthetic, however realistically defined numerical storage scenarios. Laboratory experiments provided parameterisations of geochemical effects caused by storage gas leakage into shallow aquifers in cases of sealing failure. Ultimately, the analysis of realistically defined scenarios of subsurface energy storage within the ANGUS+ project allows a quantification of the subsurface space claimed by a storage operation and its induced effects. Acknowledgments: This work is part of the ANGUS+ project (www.angusplus.de) and funded by the German Federal Ministry of Education and Research (BMBF) as part of the energy storage initiative "Energiespeicher".

A range-based method to calibrate a magnetic spectrometer measuring the energy spectrum of the backward electron beam of a plasma focus.

PubMed

Ceccolini, E; Rocchi, F; Mostacci, D; Sumini, M; Tartari, A

2011-08-01

The electron beam emitted from the back of plasma focus devices is being studied as a radiation source for intraoperative radiation therapy applications. A plasma focus device is being developed for this purpose, and there is a need for characterizing its electron beam, particularly, insofar as the energy spectrum is concerned. The instrument used is a magnetic spectrometer. To calibrate this spectrometer, a procedure relying on the energy-range relation in Mylar® has been devised and applied. By measuring the transmission through increasing thicknesses of the material, electron energies could be assessed and compared to the spectrometer readings. Thus, the original calibration of the instrument has been extended to higher energies and also to better accuracy. Methods and results are presented.

77 FR 32038 - Energy Conservation Program: Alternative Efficiency Determination Methods and Alternative Rating...

Federal Register 2010, 2011, 2012, 2013, 2014

2012-05-31

... Determination Methods and Alternative Rating Methods AGENCY: Office of Energy Efficiency and Renewable Energy... proposing to revise and expand its existing regulations governing the use of particular methods as...- TP-0024, by any of the following methods: Email: to AED/[email protected] . Include EERE...

Flood Hazard Mapping by Applying Fuzzy TOPSIS Method

NASA Astrophysics Data System (ADS)

Han, K. Y.; Lee, J. Y.; Keum, H.; Kim, B. J.; Kim, T. H.

2017-12-01

There are lots of technical methods to integrate various factors for flood hazard mapping. The purpose of this study is to suggest the methodology of integrated flood hazard mapping using MCDM(Multi Criteria Decision Making). MCDM problems involve a set of alternatives that are evaluated on the basis of conflicting and incommensurate criteria. In this study, to apply MCDM to assessing flood risk, maximum flood depth, maximum velocity, and maximum travel time are considered as criterion, and each applied elements are considered as alternatives. The scheme to find the efficient alternative closest to a ideal value is appropriate way to assess flood risk of a lot of element units(alternatives) based on various flood indices. Therefore, TOPSIS which is most commonly used MCDM scheme is adopted to create flood hazard map. The indices for flood hazard mapping(maximum flood depth, maximum velocity, and maximum travel time) have uncertainty concerning simulation results due to various values according to flood scenario and topographical condition. These kind of ambiguity of indices can cause uncertainty of flood hazard map. To consider ambiguity and uncertainty of criterion, fuzzy logic is introduced which is able to handle ambiguous expression. In this paper, we made Flood Hazard Map according to levee breach overflow using the Fuzzy TOPSIS Technique. We confirmed the areas where the highest grade of hazard was recorded through the drawn-up integrated flood hazard map, and then produced flood hazard map can be compared them with those indicated in the existing flood risk maps. Also, we expect that if we can apply the flood hazard map methodology suggested in this paper even to manufacturing the current flood risk maps, we will be able to make a new flood hazard map to even consider the priorities for hazard areas, including more varied and important information than ever before. Keywords : Flood hazard map; levee break analysis; 2D analysis; MCDM; Fuzzy TOPSIS

Developing Sustainable Urban Water-Energy Infrastructures: Applying a Multi-Sectoral Social-Ecological-Infrastructural Systems (SEIS) Framework

NASA Astrophysics Data System (ADS)

Ramaswami, A.

2016-12-01

Urban infrastructure - broadly defined to include the systems that provide water, energy, food, shelter, transportation-communication, sanitation and green/public spaces in cities - have tremendous impact on the environment and on human well-being (Ramaswami et al., 2016; Ramaswami et al., 2012). Aggregated globally, these sectors contribute 90% of global greenhouse gas (GHG) emissions and 96% of global water withdrawals. Urban infrastructure contributions to such impacts are beginning to dominate. Cities are therefore becoming the action arena for infrastructure transformations that can achieve high levels of service delivery while reducing environmental impacts and enhancing human well-being. Achieving sustainable urban infrastructure transitions requires: information about the engineered infrastructure, and its interaction with the natural (ecological-environmental) and the social sub-systems In this paper, we apply a multi-sector, multi-scalar Social-Ecological-Infrastructural Systems framework that describes the interactions among biophysical engineered infrastructures, the natural environment and the social system in a systems-approach to inform urban infrastructure transformations. We apply the SEIS framework to inform water and energy sector transformations in cities to achieve environmental and human health benefits realized at multiple scales - local, regional and global. Local scales address pollution, health, wellbeing and inequity within the city; regional scales address regional pollution, scarcity, as well as supply risks in the water-energy sectors; global impacts include greenhouse gas emissions and climate impacts. Different actors shape infrastructure transitions including households, businesses, and policy actors. We describe the development of novel cross-sectoral strategies at the water-energy nexus in cities, focusing on water, waste and energy sectors, in a case study of Delhi, India. Ramaswami, A.; Russell, A.G.; Culligan, P.J.; Sharma, K

Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

NASA Astrophysics Data System (ADS)

Krishtal, A.; Van Alsenoy, C.; Geerlings, P.

2014-05-01

We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping function for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.

Evaluating interaction energies of weakly bonded systems using the Buckingham-Hirshfeld method

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

Krishtal, A.; Van Alsenoy, C.; Geerlings, P.

2014-05-14

We present the finalized Buckingham-Hirshfeld method (BHD-DFT) for the evaluation of interaction energies of non-bonded dimers with Density Functional Theory (DFT). In the method, dispersion energies are evaluated from static multipole polarizabilities, obtained on-the-fly from Coupled Perturbed Kohn-Sham calculations and partitioned into diatomic contributions using the iterative Hirshfeld partitioning method. The dispersion energy expression is distributed over four atoms and has therefore a higher delocalized character compared to the standard pairwise expressions. Additionally, full multipolar polarizability tensors are used as opposed to effective polarizabilities, allowing to retain the anisotropic character at no additional computational cost. A density dependent damping functionmore » for the BLYP, PBE, BP86, B3LYP, and PBE0 functionals has been implemented, containing two global parameters which were fitted to interaction energies and geometries of a selected number of dimers using a bi-variate RMS fit. The method is benchmarked against the S22 and S66 data sets for equilibrium geometries and the S22x5 and S66x8 data sets for interaction energies around the equilibrium geometry. Best results are achieved using the B3LYP functional with mean average deviation values of 0.30 and 0.24 kcal/mol for the S22 and S66 data sets, respectively. This situates the BHD-DFT method among the best performing dispersion inclusive DFT methods. Effect of counterpoise correction on DFT energies is discussed.« less

Applying Activity Based Costing (ABC) Method to Calculate Cost Price in Hospital and Remedy Services

PubMed Central

Rajabi, A; Dabiri, A

2012-01-01

Background Activity Based Costing (ABC) is one of the new methods began appearing as a costing methodology in the 1990’s. It calculates cost price by determining the usage of resources. In this study, ABC method was used for calculating cost price of remedial services in hospitals. Methods: To apply ABC method, Shahid Faghihi Hospital was selected. First, hospital units were divided into three main departments: administrative, diagnostic, and hospitalized. Second, activity centers were defined by the activity analysis method. Third, costs of administrative activity centers were allocated into diagnostic and operational departments based on the cost driver. Finally, with regard to the usage of cost objectives from services of activity centers, the cost price of medical services was calculated. Results: The cost price from ABC method significantly differs from tariff method. In addition, high amount of indirect costs in the hospital indicates that capacities of resources are not used properly. Conclusion: Cost price of remedial services with tariff method is not properly calculated when compared with ABC method. ABC calculates cost price by applying suitable mechanisms but tariff method is based on the fixed price. In addition, ABC represents useful information about the amount and combination of cost price services. PMID:23113171

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.

Proposal and Evaluation of Management Method for College Mechatronics Education Applying the Project Management

NASA Astrophysics Data System (ADS)

Ando, Yoshinobu; Eguchi, Yuya; Mizukawa, Makoto

In this research, we proposed and evaluated a management method of college mechatronics education. We applied the project management to college mechatronics education. We practiced our management method to the seminar “Microcomputer Seminar” for 3rd grade students who belong to Department of Electrical Engineering, Shibaura Institute of Technology. We succeeded in management of Microcomputer Seminar in 2006. We obtained the good evaluation for our management method by means of questionnaire.

Real-Time Parameter Estimation Method Applied to a MIMO Process and its Comparison with an Offline Identification Method

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

Kaplanoglu, Erkan; Safak, Koray K.; Varol, H. Selcuk

2009-01-12

An experiment based method is proposed for parameter estimation of a class of linear multivariable systems. The method was applied to a pressure-level control process. Experimental time domain input/output data was utilized in a gray-box modeling approach. Prior knowledge of the form of the system transfer function matrix elements is assumed to be known. Continuous-time system transfer function matrix parameters were estimated in real-time by the least-squares method. Simulation results of experimentally determined system transfer function matrix compare very well with the experimental results. For comparison and as an alternative to the proposed real-time estimation method, we also implemented anmore » offline identification method using artificial neural networks and obtained fairly good results. The proposed methods can be implemented conveniently on a desktop PC equipped with a data acquisition board for parameter estimation of moderately complex linear multivariable systems.« less

The complex phase gradient method applied to leaky Lamb waves.

PubMed

Lenoir, O; Conoir, J M; Izbicki, J L

2002-10-01

The classical phase gradient method applied to the characterization of the angular resonances of an immersed elastic plate, i.e., the angular poles of its reflection coefficient R, was proved to be efficient when their real parts are close to the real zeros of R and their imaginary parts are not too large compared to their real parts. This method consists of plotting the partial reflection coefficient phase derivative with respect to the sine of the incidence angle, considered as real, versus incidence angle. In the vicinity of a resonance, this curve exhibits a Breit-Wigner shape, whose minimum is located at the pole real part and whose amplitude is the inverse of its imaginary part. However, when the imaginary part is large, this method is not sufficiently accurate compared to the exact calculation of the complex angular root. An improvement of this method consists of plotting, in 3D, in the complex angle plane and at a given frequency, the angular phase derivative with respect to the real part of the sine of the incidence angle, considered as complex. When the angular pole is reached, the 3D curve shows a clear-cut transition whose position is easily obtained.

Analytical methods applied to diverse types of Brazilian propolis

PubMed Central

2011-01-01

Propolis is a bee product, composed mainly of plant resins and beeswax, therefore its chemical composition varies due to the geographic and plant origins of these resins, as well as the species of bee. Brazil is an important supplier of propolis on the world market and, although green colored propolis from the southeast is the most known and studied, several other types of propolis from Apis mellifera and native stingless bees (also called cerumen) can be found. Propolis is usually consumed as an extract, so the type of solvent and extractive procedures employed further affect its composition. Methods used for the extraction; analysis the percentage of resins, wax and insoluble material in crude propolis; determination of phenolic, flavonoid, amino acid and heavy metal contents are reviewed herein. Different chromatographic methods applied to the separation, identification and quantification of Brazilian propolis components and their relative strengths are discussed; as well as direct insertion mass spectrometry fingerprinting. Propolis has been used as a popular remedy for several centuries for a wide array of ailments. Its antimicrobial properties, present in propolis from different origins, have been extensively studied. But, more recently, anti-parasitic, anti-viral/immune stimulating, healing, anti-tumor, anti-inflammatory, antioxidant and analgesic activities of diverse types of Brazilian propolis have been evaluated. The most common methods employed and overviews of their relative results are presented. PMID:21631940

Methods for locating ground faults and insulation degradation condition in energy conversion systems

DOEpatents

Agamy, Mohamed; Elasser, Ahmed; Galbraith, Anthony William; Harfman Todorovic, Maja

2015-08-11

Methods for determining a ground fault or insulation degradation condition within energy conversion systems are described. A method for determining a ground fault within an energy conversion system may include, in part, a comparison of baseline waveform of differential current to a waveform of differential current during operation for a plurality of DC current carrying conductors in an energy conversion system. A method for determining insulation degradation within an energy conversion system may include, in part, a comparison of baseline frequency spectra of differential current to a frequency spectra of differential current transient at start-up for a plurality of DC current carrying conductors in an energy conversion system. In one embodiment, the energy conversion system may be a photovoltaic system.

Where do Students Go Wrong in Applying the Scientific Method?

NASA Astrophysics Data System (ADS)

Rubbo, Louis; Moore, Christopher

2015-04-01

Non-science majors completing a liberal arts degree are frequently required to take a science course. Ideally with the completion of a required science course, liberal arts students should demonstrate an improved capability in the application of the scientific method. In previous work we have demonstrated that this is possible if explicit instruction is spent on the development of scientific reasoning skills. However, even with explicit instruction, students still struggle to apply the scientific process. Counter to our expectations, the difficulty is not isolated to a single issue such as stating a testable hypothesis, designing an experiment, or arriving at a supported conclusion. Instead students appear to struggle with every step in the process. This talk summarizes our work looking at and identifying where students struggle in the application of the scientific method. This material is based upon work supported by the National Science Foundation under Grant No. 1244801.

Extrapolation techniques applied to matrix methods in neutron diffusion problems

NASA Technical Reports Server (NTRS)

Mccready, Robert R

1956-01-01

A general matrix method is developed for the solution of characteristic-value problems of the type arising in many physical applications. The scheme employed is essentially that of Gauss and Seidel with appropriate modifications needed to make it applicable to characteristic-value problems. An iterative procedure produces a sequence of estimates to the answer; and extrapolation techniques, based upon previous behavior of iterants, are utilized in speeding convergence. Theoretically sound limits are placed on the magnitude of the extrapolation that may be tolerated. This matrix method is applied to the problem of finding criticality and neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron-diffusion equations is treated. Results for this example are indicated.

Prediction of free turbulent mixing using a turbulent kinetic energy method

NASA Technical Reports Server (NTRS)

Harsha, P. T.

1973-01-01

Free turbulent mixing of two-dimensional and axisymmetric one- and two-stream flows is analyzed by a relatively simple turbulent kinetic energy method. This method incorporates a linear relationship between the turbulent shear and the turbulent kinetic energy and an algebraic relationship for the length scale appearing in the turbulent kinetic energy equation. Good results are obtained for a wide variety of flows. The technique is shown to be especially applicable to flows with heat and mass transfer, for which nonunity Prandtl and Schmidt numbers may be assumed.

A Hamiltonian replica exchange method for building protein-protein interfaces applied to a leucine zipper

NASA Astrophysics Data System (ADS)

Cukier, Robert I.

2011-01-01

Leucine zippers consist of alpha helical monomers dimerized (or oligomerized) into alpha superhelical structures known as coiled coils. Forming the correct interface of a dimer from its monomers requires an exploration of configuration space focused on the side chains of one monomer that must interdigitate with sites on the other monomer. The aim of this work is to generate good interfaces in short simulations starting from separated monomers. Methods are developed to accomplish this goal based on an extension of a previously introduced [Su and Cukier, J. Phys. Chem. B 113, 9595, (2009)] Hamiltonian temperature replica exchange method (HTREM), which scales the Hamiltonian in both potential and kinetic energies that was used for the simulation of dimer melting curves. The new method, HTREM_MS (MS designates mean square), focused on interface formation, adds restraints to the Hamiltonians for all but the physical system, which is characterized by the normal molecular dynamics force field at the desired temperature. The restraints in the nonphysical systems serve to prevent the monomers from separating too far, and have the dual aims of enhancing the sampling of close in configurations and breaking unwanted correlations in the restrained systems. The method is applied to a 31-residue truncation of the 33-residue leucine zipper (GCN4-p1) of the yeast transcriptional activator GCN4. The monomers are initially separated by a distance that is beyond their capture length. HTREM simulations show that the monomers oscillate between dimerlike and monomerlike configurations, but do not form a stable interface. HTREM_MS simulations result in the dimer interface being faithfully reconstructed on a 2 ns time scale. A small number of systems (one physical and two restrained with modified potentials and higher effective temperatures) are sufficient. An in silico mutant that should not dimerize because it lacks charged residues that provide electrostatic stabilization of the dimer

Absolute x-ray energy calibration and monitoring using a diffraction-based method

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

Hong, Xinguo, E-mail: xhong@bnl.gov; Weidner, Donald J.; Duffy, Thomas S.

2016-07-27

In this paper, we report some recent developments of the diffraction-based absolute X-ray energy calibration method. In this calibration method, high spatial resolution of the measured detector offset is essential. To this end, a remotely controlled long-translation motorized stage was employed instead of the less convenient gauge blocks. It is found that the precision of absolute X-ray energy calibration (ΔE/E) is readily achieved down to the level of 10{sup −4} for high-energy monochromatic X-rays (e.g. 80 keV). Examples of applications to pair distribution function (PDF) measurements and energy monitoring for high-energy X-rays are presented.

A Technique of Two-Stage Clustering Applied to Environmental and Civil Engineering and Related Methods of Citation Analysis.

ERIC Educational Resources Information Center

Miyamoto, S.; Nakayama, K.

1983-01-01

A method of two-stage clustering of literature based on citation frequency is applied to 5,065 articles from 57 journals in environmental and civil engineering. Results of related methods of citation analysis (hierarchical graph, clustering of journals, multidimensional scaling) applied to same set of articles are compared. Ten references are…

Applied Mathematics at the U.S. Department of Energy: Past, Present and a View to the Future

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

Brown, D L; Bell, J; Estep, D

2008-02-15

Over the past half-century, the Applied Mathematics program in the U.S. Department of Energy's Office of Advanced Scientific Computing Research has made significant, enduring advances in applied mathematics that have been essential enablers of modern computational science. Motivated by the scientific needs of the Department of Energy and its predecessors, advances have been made in mathematical modeling, numerical analysis of differential equations, optimization theory, mesh generation for complex geometries, adaptive algorithms and other important mathematical areas. High-performance mathematical software libraries developed through this program have contributed as much or more to the performance of modern scientific computer codes as themore » high-performance computers on which these codes run. The combination of these mathematical advances and the resulting software has enabled high-performance computers to be used for scientific discovery in ways that could only be imagined at the program's inception. Our nation, and indeed our world, face great challenges that must be addressed in coming years, and many of these will be addressed through the development of scientific understanding and engineering advances yet to be discovered. The U.S. Department of Energy (DOE) will play an essential role in providing science-based solutions to many of these problems, particularly those that involve the energy, environmental and national security needs of the country. As the capability of high-performance computers continues to increase, the types of questions that can be answered by applying this huge computational power become more varied and more complex. It will be essential that we find new ways to develop and apply the mathematics necessary to enable the new scientific and engineering discoveries that are needed. In August 2007, a panel of experts in applied, computational and statistical mathematics met for a day and a half in Berkeley, California to understand the

Value of focal applied energy quotient in treatment of ureteral lithiasis with shock waves.

PubMed

Arrabal-Polo, Miguel Angel; Arrabal-Martin, Miguel; Palao-Yago, Francisco; Mijan-Ortiz, Jose Luis; Zuluaga-Gomez, Armando

2012-08-01

The treatment of ureteral lithiasis by extracorporeal shock wave lithotripsy (ESWL) is progressively being abandoned owing to advances in endoscopic lithotripsy. The purpose of this paper is to analyze the causes as to why ESWL is less effective-with a measurable parameter: focal applied energy quotient (FAEQ) that allows us to apply an improvement project in ESWL results for ureteral lithiasis. A prospective observational cohort study with 3-year follow-up and enrollment period was done with three groups of cases. In Group A, 83 cases of ureteral lithiasis were treated by endoscopic lithotripsy using Holmiun:YAG laser. In Group B, 81 cases of ureteral lithiasis were treated by ESWL using Doli-S device (EMSE 220F-XXP). In Group C, 65 cases of ureteral lithiasis were treated by ESWL using Doli-S device (EMSE 220F-XXP) (FAEQ >10). Statistical study and calculation of RR, NNT, Chi-square test, Fisher's exact test, and Student's t test were done. Efficiency quotient (EQ) and focal applied energy quotient [FAEQ = (radioscopy seconds/number of shock waves) × ESWL session J] were analyzed. From the results, the success rate of the treatment using Holmium:YAG laser lithotripsy and ESWL is found to be 94 and 48%, respectively, with a statistically significant difference (p < 0.001). Success rate of endoscopic laser lithotripsy for lumbar ureteral stones was 82% versus 57% of ESWL (p = 0.611). In Group B, FAEQ was 8.12. In Group C, success rate was 93.84% with FAEQ of 10.64%. When we compare results from endoscopic lithotripsy with Holmium:YAG laser in Group B with results from ESWL with FAEQ >10, we do not observe absolute benefit choosing one or the other. In conclusion, the application of ESWL with FAEQ >10, that is, improving radiologic focalization of the calculus and increasing the number of Joules/SW, makes possible a treatment as safe and equally efficient as Holmium:YAG laser lithotripsy in ureteral lithiasis less than 13 mm.

An IMU-to-Body Alignment Method Applied to Human Gait Analysis

PubMed Central

Vargas-Valencia, Laura Susana; Elias, Arlindo; Rocon, Eduardo; Bastos-Filho, Teodiano; Frizera, Anselmo

2016-01-01

This paper presents a novel calibration procedure as a simple, yet powerful, method to place and align inertial sensors with body segments. The calibration can be easily replicated without the need of any additional tools. The proposed method is validated in three different applications: a computer mathematical simulation; a simplified joint composed of two semi-spheres interconnected by a universal goniometer; and a real gait test with five able-bodied subjects. Simulation results demonstrate that, after the calibration method is applied, the joint angles are correctly measured independently of previous sensor placement on the joint, thus validating the proposed procedure. In the cases of a simplified joint and a real gait test with human volunteers, the method also performs correctly, although secondary plane errors appear when compared with the simulation results. We believe that such errors are caused by limitations of the current inertial measurement unit (IMU) technology and fusion algorithms. In conclusion, the presented calibration procedure is an interesting option to solve the alignment problem when using IMUs for gait analysis. PMID:27973406

An IMU-to-Body Alignment Method Applied to Human Gait Analysis.

PubMed

Vargas-Valencia, Laura Susana; Elias, Arlindo; Rocon, Eduardo; Bastos-Filho, Teodiano; Frizera, Anselmo

2016-12-10

This paper presents a novel calibration procedure as a simple, yet powerful, method to place and align inertial sensors with body segments. The calibration can be easily replicated without the need of any additional tools. The proposed method is validated in three different applications: a computer mathematical simulation; a simplified joint composed of two semi-spheres interconnected by a universal goniometer; and a real gait test with five able-bodied subjects. Simulation results demonstrate that, after the calibration method is applied, the joint angles are correctly measured independently of previous sensor placement on the joint, thus validating the proposed procedure. In the cases of a simplified joint and a real gait test with human volunteers, the method also performs correctly, although secondary plane errors appear when compared with the simulation results. We believe that such errors are caused by limitations of the current inertial measurement unit (IMU) technology and fusion algorithms. In conclusion, the presented calibration procedure is an interesting option to solve the alignment problem when using IMUs for gait analysis.

Analysis of Preconditioning and Relaxation Operators for the Discontinuous Galerkin Method Applied to Diffusion

NASA Technical Reports Server (NTRS)

Atkins, H. L.; Shu, Chi-Wang

2001-01-01

The explicit stability constraint of the discontinuous Galerkin method applied to the diffusion operator decreases dramatically as the order of the method is increased. Block Jacobi and block Gauss-Seidel preconditioner operators are examined for their effectiveness at accelerating convergence. A Fourier analysis for methods of order 2 through 6 reveals that both preconditioner operators bound the eigenvalues of the discrete spatial operator. Additionally, in one dimension, the eigenvalues are grouped into two or three regions that are invariant with order of the method. Local relaxation methods are constructed that rapidly damp high frequencies for arbitrarily large time step.

Applying multi-resolution numerical methods to geodynamics

NASA Astrophysics Data System (ADS)

Davies, David Rhodri

Computational models yield inaccurate results if the underlying numerical grid fails to provide the necessary resolution to capture a simulation's important features. For the large-scale problems regularly encountered in geodynamics, inadequate grid resolution is a major concern. The majority of models involve multi-scale dynamics, being characterized by fine-scale upwelling and downwelling activity in a more passive, large-scale background flow. Such configurations, when coupled to the complex geometries involved, present a serious challenge for computational methods. Current techniques are unable to resolve localized features and, hence, such models cannot be solved efficiently. This thesis demonstrates, through a series of papers and closely-coupled appendices, how multi-resolution finite-element methods from the forefront of computational engineering can provide a means to address these issues. The problems examined achieve multi-resolution through one of two methods. In two-dimensions (2-D), automatic, unstructured mesh refinement procedures are utilized. Such methods improve the solution quality of convection dominated problems by adapting the grid automatically around regions of high solution gradient, yielding enhanced resolution of the associated flow features. Thermal and thermo-chemical validation tests illustrate that the technique is robust and highly successful, improving solution accuracy whilst increasing computational efficiency. These points are reinforced when the technique is applied to geophysical simulations of mid-ocean ridge and subduction zone magmatism. To date, successful goal-orientated/error-guided grid adaptation techniques have not been utilized within the field of geodynamics. The work included herein is therefore the first geodynamical application of such methods. In view of the existing three-dimensional (3-D) spherical mantle dynamics codes, which are built upon a quasi-uniform discretization of the sphere and closely coupled

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.

Multi-fluid renewable geo-energy systems and methods

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

Buscheck, Thomas A.

A geo-energy production method for extracting thermal energy from a reservoir formation. A production well extracts brine from the reservoir formation. A plurality of working fluid injection ("WFI") wells may be arranged proximate to the production well to at least partially circumscribe the production well. A plurality of brine production ("BP") wells may be arranged in a vicinity of the WFI wells to at least partially circumscribe the WFI wells. A working fluid is injected into the WFI wells to help drive a flow of the brine up through the production and BP wells, together with at least a portionmore » of the injected working fluid. Parasitic-load time-shifting and to storing of excess solar thermal energy may also be performed.« less

Subplane collision probabilities method applied to control rod cusping in 2D/1D

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

Graham, Aaron M.; Collins, Benjamin S.; Stimpson, Shane G.

The MPACT code is being jointly developed by the University of Michigan and Oak Ridge National Laboratory. It uses the 2D/1D method to solve neutron transport problems for reactors. The 2D/1D method decomposes the problem into a stack of 2D planes, and uses a high fidelity transport method to resolve all heterogeneity in each plane. These planes are then coupled axially using a lower order solver. Using this scheme, 3D solutions to the transport equation can be obtained at a much lower cost.One assumption made by the 2D/1D method is that the materials are axially homogeneous for each 2D plane.more » Violation of this assumption requires homogenization, which can significantly reduce the accuracy of the calculation. This paper presents two new subgrid methods to address this issue. The first method is polynomial decusping, a simple correction used to address control rods partially inserted into a 2D plane. The second is the subplane collision probabilities method, which is a more accurate, more robust subgrid method that can be applied to other axial heterogeneities.Each method was applied to a variety of problems. Results were compared to fine mesh solutions which had no axial heterogeneity and to Monte Carlo reference solutions generated using KENO-VI. It was shown that the polynomial decusping method was effective in many cases, but it had some limitations, with 3D pin power errors as high as 25% compared to KENO-VI. In conclusion, the subplane collision probabilities method performed much better, lowering the maximum pin power error to less than 5% in every calculation.« less

Subplane collision probabilities method applied to control rod cusping in 2D/1D

DOE PAGES

Graham, Aaron M.; Collins, Benjamin S.; Stimpson, Shane G.; ...

2018-04-06

The MPACT code is being jointly developed by the University of Michigan and Oak Ridge National Laboratory. It uses the 2D/1D method to solve neutron transport problems for reactors. The 2D/1D method decomposes the problem into a stack of 2D planes, and uses a high fidelity transport method to resolve all heterogeneity in each plane. These planes are then coupled axially using a lower order solver. Using this scheme, 3D solutions to the transport equation can be obtained at a much lower cost.One assumption made by the 2D/1D method is that the materials are axially homogeneous for each 2D plane.more » Violation of this assumption requires homogenization, which can significantly reduce the accuracy of the calculation. This paper presents two new subgrid methods to address this issue. The first method is polynomial decusping, a simple correction used to address control rods partially inserted into a 2D plane. The second is the subplane collision probabilities method, which is a more accurate, more robust subgrid method that can be applied to other axial heterogeneities.Each method was applied to a variety of problems. Results were compared to fine mesh solutions which had no axial heterogeneity and to Monte Carlo reference solutions generated using KENO-VI. It was shown that the polynomial decusping method was effective in many cases, but it had some limitations, with 3D pin power errors as high as 25% compared to KENO-VI. In conclusion, the subplane collision probabilities method performed much better, lowering the maximum pin power error to less than 5% in every calculation.« less

Different spectrophotometric methods applied for the analysis of binary mixture of flucloxacillin and amoxicillin: A comparative study.

PubMed

Attia, Khalid A M; Nassar, Mohammed W I; El-Zeiny, Mohamed B; Serag, Ahmed

2016-05-15

Three different spectrophotometric methods were applied for the quantitative analysis of flucloxacillin and amoxicillin in their binary mixture, namely, ratio subtraction, absorbance subtraction and amplitude modulation. A comparative study was done listing the advantages and the disadvantages of each method. All the methods were validated according to the ICH guidelines and the obtained accuracy, precision and repeatability were found to be within the acceptable limits. The selectivity of the proposed methods was tested using laboratory prepared mixtures and assessed by applying the standard addition technique. So, they can be used for the routine analysis of flucloxacillin and amoxicillin in their binary mixtures. Copyright © 2016 Elsevier B.V. All rights reserved.

Acoustic bubble removal method

NASA Technical Reports Server (NTRS)

Trinh, E. H.; Elleman, D. D.; Wang, T. G. (Inventor)

1983-01-01

A method is described for removing bubbles from a liquid bath such as a bath of molten glass to be used for optical elements. Larger bubbles are first removed by applying acoustic energy resonant to a bath dimension to drive the larger bubbles toward a pressure well where the bubbles can coalesce and then be more easily removed. Thereafter, submillimeter bubbles are removed by applying acoustic energy of frequencies resonant to the small bubbles to oscillate them and thereby stir liquid immediately about the bubbles to facilitate their breakup and absorption into the liquid.

Measuring information-based energy and temperature of literary texts

NASA Astrophysics Data System (ADS)

Chang, Mei-Chu; Yang, Albert C.-C.; Eugene Stanley, H.; Peng, C.-K.

2017-02-01

We apply a statistical method, information-based energy, to quantify informative symbolic sequences. To apply this method to literary texts, it is assumed that different words with different occurrence frequencies are at different energy levels, and that the energy-occurrence frequency distribution obeys a Boltzmann distribution. The temperature within the Boltzmann distribution can be an indicator for the author's writing capacity as the repertory of thoughts. The relative temperature of a text is obtained by comparing the energy-occurrence frequency distributions of words collected from one text versus from all texts of the same author. Combining the relative temperature with the Shannon entropy as the text complexity, the information-based energy of the text is defined and can be viewed as a quantitative evaluation of an author's writing performance. We demonstrate the method by analyzing two authors, Shakespeare in English and Jin Yong in Chinese, and find that their well-known works are associated with higher information-based energies. This method can be used to measure the creativity level of a writer's work in linguistics, and can also quantify symbolic sequences in different systems.

Energy Smart Schools--Applied Research, Field Testing, and Technology Integration

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

Nebiat Solomon; Robin Vieira; William L. Manz

2004-12-01

The National Association of State Energy Officials (NASEO) in conjunction with the California Energy Commission, the Energy Center of Wisconsin, the Florida Solar Energy Center, the New York State Energy Research and Development Authority, and the Ohio Department of Development's Office of Energy Efficiency conducted a four-year, cost-share project with the U.S. Department of Energy (USDOE), Office of Energy Efficiency and Renewable Energy to focus on energy efficiency and high-performance technologies in our nation's schools. NASEO was the program lead for the MOU-State Schools Working group, established in conjunction with the USDOE Memorandum of Understanding process for collaboration among statemore » and federal energy research and demonstration offices and organizations. The MOU-State Schools Working Group included State Energy Offices and other state energy research organizations from all regions of the country. Through surveys and analyses, the Working Group determined the school-related energy priorities of the states and established a set of tasks to be accomplished, including the installation and evaluation of microturbines, advanced daylighting research, testing of schools and classrooms, and integrated school building technologies. The Energy Smart Schools project resulted in the adoption of advanced energy efficiency technologies in both the renovation of existing schools and building of new ones; the education of school administrators, architects, engineers, and manufacturers nationwide about the energy-saving, economic, and environmental benefits of energy efficiency technologies; and improved the learning environment for the nation's students through use of better temperature controls, improvements in air quality, and increased daylighting in classrooms. It also provided an opportunity for states to share and replicate successful projects to increase their energy efficiency while at the same time driving down their energy costs.« less

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-06-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ( E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ( E, q) as found in optical spectra and ab initio calculations of aluminum.

Photoelectron Energy Loss in Al(002) Revisited: Retrieval of the Single Plasmon Loss Energy Distribution by a Fourier Transform Method

NASA Astrophysics Data System (ADS)

Santana, Victor Mancir da Silva; David, Denis; de Almeida, Jailton Souza; Godet, Christian

2018-04-01

A Fourier transform (FT) algorithm is proposed to retrieve the energy loss function (ELF) of solid surfaces from experimental X-ray photoelectron spectra. The intensity measured over a broad energy range towards lower kinetic energies results from convolution of four spectral distributions: photoemission line shape, multiple plasmon loss probability, X-ray source line structure and Gaussian broadening of the photoelectron analyzer. The FT of the measured XPS spectrum, including the zero-loss peak and all inelastic scattering mechanisms, being a mathematical function of the respective FT of X-ray source, photoemission line shape, multiple plasmon loss function, and Gaussian broadening of the photoelectron analyzer, the proposed algorithm gives straightforward access to the bulk ELF and effective dielectric function of the solid, assuming identical ELF for intrinsic and extrinsic plasmon excitations. This method is applied to aluminum single crystal Al(002) where the photoemission line shape has been computed accurately beyond the Doniach-Sunjic approximation using the Mahan-Wertheim-Citrin approach which takes into account the density of states near the Fermi level; the only adjustable parameters are the singularity index and the broadening energy D (inverse hole lifetime). After correction for surface plasmon excitations, the q-averaged bulk loss function, q , of Al(002) differs from the optical value Im[- 1 / ɛ(E, q = 0)] and is well described by the Lindhard-Mermin dispersion relation. A quality criterion of the inversion algorithm is given by the capability of observing weak interband transitions close to the zero-loss peak, namely at 0.65 and 1.65 eV in ɛ(E, q) as found in optical spectra and ab initio calculations of aluminum.

Method for applying photographic resists to otherwise incompatible substrates

NASA Technical Reports Server (NTRS)

Fuhr, W. (Inventor)

1981-01-01

A method for applying photographic resists to otherwise incompatible substrates, such as a baking enamel paint surface, is described wherein the uncured enamel paint surface is coated with a non-curing lacquer which is, in turn, coated with a partially cured lacquer. The non-curing lacquer adheres to the enamel and a photo resist material satisfactorily adheres to the partially cured lacquer. Once normal photo etching techniques are employed the lacquer coats can be easily removed from the enamel leaving the photo etched image. In the case of edge lighted instrument panels, a coat of uncured enamel is placed over the cured enamel followed by the lacquer coats and the photo resists which is exposed and developed. Once the etched uncured enamel is cured, the lacquer coats are removed leaving an etched panel.

Risk Management in Complex Construction Projects that Apply Renewable Energy Sources: A Case Study of the Realization Phase of the Energis Educational and Research Intelligent Building

NASA Astrophysics Data System (ADS)

Krechowicz, Maria

2017-10-01

Nowadays, one of the characteristic features of construction industry is an increased complexity of a growing number of projects. Almost each construction project is unique, has its project-specific purpose, its own project structural complexity, owner’s expectations, ground conditions unique to a certain location, and its own dynamics. Failure costs and costs resulting from unforeseen problems in complex construction projects are very high. Project complexity drivers pose many vulnerabilities to a successful completion of a number of projects. This paper discusses the process of effective risk management in complex construction projects in which renewable energy sources were used, on the example of the realization phase of the ENERGIS teaching-laboratory building, from the point of view of DORBUD S.A., its general contractor. This paper suggests a new approach to risk management for complex construction projects in which renewable energy sources were applied. The risk management process was divided into six stages: gathering information, identification of the top, critical project risks resulting from the project complexity, construction of the fault tree for each top, critical risks, logical analysis of the fault tree, quantitative risk assessment applying fuzzy logic and development of risk response strategy. A new methodology for the qualitative and quantitative risk assessment for top, critical risks in complex construction projects was developed. Risk assessment was carried out applying Fuzzy Fault Tree analysis on the example of one top critical risk. Application of the Fuzzy sets theory to the proposed model allowed to decrease uncertainty and eliminate problems with gaining the crisp values of the basic events probability, common during expert risk assessment with the objective to give the exact risk score of each unwanted event probability.

A GPU-Accelerated Parameter Interpolation Thermodynamic Integration Free Energy Method.

PubMed

Giese, Timothy J; York, Darrin M

2018-03-13

There has been a resurgence of interest in free energy methods motivated by the performance enhancements offered by molecular dynamics (MD) software written for specialized hardware, such as graphics processing units (GPUs). In this work, we exploit the properties of a parameter-interpolated thermodynamic integration (PI-TI) method to connect states by their molecular mechanical (MM) parameter values. This pathway is shown to be better behaved for Mg 2+ → Ca 2+ transformations than traditional linear alchemical pathways (with and without soft-core potentials). The PI-TI method has the practical advantage that no modification of the MD code is required to propagate the dynamics, and unlike with linear alchemical mixing, only one electrostatic evaluation is needed (e.g., single call to particle-mesh Ewald) leading to better performance. In the case of AMBER, this enables all the performance benefits of GPU-acceleration to be realized, in addition to unlocking the full spectrum of features available within the MD software, such as Hamiltonian replica exchange (HREM). The TI derivative evaluation can be accomplished efficiently in a post-processing step by reanalyzing the statistically independent trajectory frames in parallel for high throughput. We also show how one can evaluate the particle mesh Ewald contribution to the TI derivative evaluation without needing to perform two reciprocal space calculations. We apply the PI-TI method with HREM on GPUs in AMBER to predict p K a values in double stranded RNA molecules and make comparison with experiments. Convergence to under 0.25 units for these systems required 100 ns or more of sampling per window and coupling of windows with HREM. We find that MM charges derived from ab initio QM/MM fragment calculations improve the agreement between calculation and experimental results.

Complexity methods applied to turbulence in plasma astrophysics

NASA Astrophysics Data System (ADS)

Vlahos, L.; Isliker, H.

2016-09-01

In this review many of the well known tools for the analysis of Complex systems are used in order to study the global coupling of the turbulent convection zone with the solar atmosphere where the magnetic energy is dissipated explosively. Several well documented observations are not easy to interpret with the use of Magnetohydrodynamic (MHD) and/or Kinetic numerical codes. Such observations are: (1) The size distribution of the Active Regions (AR) on the solar surface, (2) The fractal and multi fractal characteristics of the observed magnetograms, (3) The Self-Organised characteristics of the explosive magnetic energy release and (4) the very efficient acceleration of particles during the flaring periods in the solar corona. We review briefly the work published the last twenty five years on the above issues and propose solutions by using methods borrowed from the analysis of complex systems. The scenario which emerged is as follows: (a) The fully developed turbulence in the convection zone generates and transports magnetic flux tubes to the solar surface. Using probabilistic percolation models we were able to reproduce the size distribution and the fractal properties of the emerged and randomly moving magnetic flux tubes. (b) Using a Non Linear Force Free (NLFF) magnetic extrapolation numerical code we can explore how the emerged magnetic flux tubes interact nonlinearly and form thin and Unstable Current Sheets (UCS) inside the coronal part of the AR. (c) The fragmentation of the UCS and the redistribution of the magnetic field locally, when the local current exceeds a Critical threshold, is a key process which drives avalanches and forms coherent structures. This local reorganization of the magnetic field enhances the energy dissipation and influences the global evolution of the complex magnetic topology. Using a Cellular Automaton and following the simple rules of Self Organized Criticality (SOC), we were able to reproduce the statistical characteristics of the

Methods for calculating the absolute entropy and free energy of biological systems based on ideas from polymer physics.

PubMed

Meirovitch, Hagai

2010-01-01

The commonly used simulation techniques, Metropolis Monte Carlo (MC) and molecular dynamics (MD) are of a dynamical type which enables one to sample system configurations i correctly with the Boltzmann probability, P(i)(B), while the value of P(i)(B) is not provided directly; therefore, it is difficult to obtain the absolute entropy, S approximately -ln P(i)(B), and the Helmholtz free energy, F. With a different simulation approach developed in polymer physics, a chain is grown step-by-step with transition probabilities (TPs), and thus their product is the value of the construction probability; therefore, the entropy is known. Because all exact simulation methods are equivalent, i.e. they lead to the same averages and fluctuations of physical properties, one can treat an MC or MD sample as if its members have rather been generated step-by-step. Thus, each configuration i of the sample can be reconstructed (from nothing) by calculating the TPs with which it could have been constructed. This idea applies also to bulk systems such as fluids or magnets. This approach has led earlier to the "local states" (LS) and the "hypothetical scanning" (HS) methods, which are approximate in nature. A recent development is the hypothetical scanning Monte Carlo (HSMC) (or molecular dynamics, HSMD) method which is based on stochastic TPs where all interactions are taken into account. In this respect, HSMC(D) can be viewed as exact and the only approximation involved is due to insufficient MC(MD) sampling for calculating the TPs. The validity of HSMC has been established by applying it first to liquid argon, TIP3P water, self-avoiding walks (SAW), and polyglycine models, where the results for F were found to agree with those obtained by other methods. Subsequently, HSMD was applied to mobile loops of the enzymes porcine pancreatic alpha-amylase and acetylcholinesterase in explicit water, where the difference in F between the bound and free states of the loop was calculated. Currently

Concepts, tools/methods, and practices of water-energy-food NEXUS

NASA Astrophysics Data System (ADS)

Endo, A.; Tsurita, I.; Orencio, P. M.; Taniguchi, M.

2014-12-01

The needs to consider the NEXUS on food and water were emphasized in international dialogues and publications around the end of the 20th century. In fact, in 1983, the United Nations University already launched a Food-Energy Nexus Programme to fill the gaps between the issues of food and energy. The term "NEXUS" to link water, food, and trade was also used in the World Bank during 1990s. The idea of NEXUS is likely to have further developed under the discussion of "virtual water" and "water footprints". With experiencing several international discussions such as Kyoto World Water Forum 2003, scholars and practitioners around the globe acknowledged the need to include energy for the pillars of NEXUS. Finally, the importance of three NEXUS pillars, "water, energy, and food" was officially announced in the BONN 2011 NEXUS Conference, which is a turning point of NEXUS idea in the international community , in order to contribute to the United Nations Conference on Sustainable Development (Rio+20) in 2012 that highlighted the concept of "green economy". The concept of NEXUS is becoming a requisite to achieve sustainable development due to the global concerns embedded in society, economy, and environment. The concept stresses to promote the cooperation with the sectors such as water, energy, food, and climate change since these complex global issues are dependent and inter-connected, which can no longer be solved by the sectorial approaches. The NEXUS practices are currently shared among different stakeholders through various modes including literatures, conferences, workshops, and research projects. However, since the NEXUS practices are not led by a particular organization, its concept, theory, policy, tools, methods, and applications are diverse and incoherent. In terms of tools/methods, the potential of integrated modeling approach is introduced to avoid pressures and to promote interactions among water, energy and food. This paper explores the concepts, tools/methods

Parallel Implicit Runge-Kutta Methods Applied to Coupled Orbit/Attitude Propagation

NASA Astrophysics Data System (ADS)

Hatten, Noble; Russell, Ryan P.

2017-12-01

A variable-step Gauss-Legendre implicit Runge-Kutta (GLIRK) propagator is applied to coupled orbit/attitude propagation. Concepts previously shown to improve efficiency in 3DOF propagation are modified and extended to the 6DOF problem, including the use of variable-fidelity dynamics models. The impact of computing the stage dynamics of a single step in parallel is examined using up to 23 threads and 22 associated GLIRK stages; one thread is reserved for an extra dynamics function evaluation used in the estimation of the local truncation error. Efficiency is found to peak for typical examples when using approximately 8 to 12 stages for both serial and parallel implementations. Accuracy and efficiency compare favorably to explicit Runge-Kutta and linear-multistep solvers for representative scenarios. However, linear-multistep methods are found to be more efficient for some applications, particularly in a serial computing environment, or when parallelism can be applied across multiple trajectories.

A standards-based method for compositional analysis by energy dispersive X-ray spectrometry using multivariate statistical analysis: application to multicomponent alloys.

PubMed

Rathi, Monika; Ahrenkiel, S P; Carapella, J J; Wanlass, M W

2013-02-01

Given an unknown multicomponent alloy, and a set of standard compounds or alloys of known composition, can one improve upon popular standards-based methods for energy dispersive X-ray (EDX) spectrometry to quantify the elemental composition of the unknown specimen? A method is presented here for determining elemental composition of alloys using transmission electron microscopy-based EDX with appropriate standards. The method begins with a discrete set of related reference standards of known composition, applies multivariate statistical analysis to those spectra, and evaluates the compositions with a linear matrix algebra method to relate the spectra to elemental composition. By using associated standards, only limited assumptions about the physical origins of the EDX spectra are needed. Spectral absorption corrections can be performed by providing an estimate of the foil thickness of one or more reference standards. The technique was applied to III-V multicomponent alloy thin films: composition and foil thickness were determined for various III-V alloys. The results were then validated by comparing with X-ray diffraction and photoluminescence analysis, demonstrating accuracy of approximately 1% in atomic fraction.

A note on the accuracy of spectral method applied to nonlinear conservation laws

NASA Technical Reports Server (NTRS)

Shu, Chi-Wang; Wong, Peter S.

1994-01-01

Fourier spectral method can achieve exponential accuracy both on the approximation level and for solving partial differential equations if the solutions are analytic. For a linear partial differential equation with a discontinuous solution, Fourier spectral method produces poor point-wise accuracy without post-processing, but still maintains exponential accuracy for all moments against analytic functions. In this note we assess the accuracy of Fourier spectral method applied to nonlinear conservation laws through a numerical case study. We find that the moments with respect to analytic functions are no longer very accurate. However the numerical solution does contain accurate information which can be extracted by a post-processing based on Gegenbauer polynomials.

Energy correction factors of LiF powder TLDs irradiated in high-energy electron beams and applied to mailed dosimetry for quality assurance networks.

PubMed

Marre, D; Ferreira, I H; Bridier, A; Björeland, A; Svensson, H; Dutreix, A; Chavaudra, J

2000-12-01

Absorbed dose determination with thermoluminescent dosimeters (TLDs) generally relies on calibration in 60Co gamma-ray reference beams. The energy correction factor fCo(E) for electron beams takes into account the difference between the response of the TLD in the beam of energy E and in the 60Co gamma-ray beam. In this work, fCo(E) was evaluated for an LiF powder irradiated in electron beams of 6 to 20 MeV (Varian 2300C/D) and 10 to 50 MeV (Racetrack MM50), and its variation with electron energy, TLD size and nature of the surrounding medium was also studied for LiF powder. The results have been applied to the ESTRO-EQUAL mailed dosimetry quality assurance network. Monte Carlo calculations (EGS4, PENELOPE) and experiments have been performed for the LiF powder (rho = 1.4 g cm3) (DTL937, Philitech, France), read on a home made reader and a PCL3 automatic reader (Fimel, France). The TLDs were calibrated using Fricke dosimetry and compared with three ionization chambers (NE2571, NACP02, ROOS). The combined uncertainties in the experimental fCo(E) factors determined in this work are less than about 0.4% (1 SD), which is appreciably smaller than the uncertainties up to 1.4% (1 SD) reported for other calculated values in the literature. Concerning the Varian 2300C/D beams, the measured fCo(E) values decrease from 1.065 to 1.049 +/- 0.004 (1 SD) when the energy at depth in water increases from 2.6 to 14.1 MeV; the agreement with Monte Carlo calculations is better than 0.5%. For the Racetrack MM50 pulsed-scanned beams, the average experimental value of fCo(E) is 1.071 +/- 0.005 (1 SD) for a mean electron energy at depth Ez ranging from 4.3 to 36.3 MeV: fCo(E) is up to 2% higher for the MM50 beams than for the 2300C/D beams in the range of the tested energies. The energy correction factor for LiF powder (3 mm diameter and 15 mm length) varies with beam quality and type (pulsed or pulsed-scanning), cavity size and nature of the surrounding medium. The fCo(E) values obtained

A simple and selective resonance Rayleigh scattering-energy transfer spectral method for determination of trace neomycin sulfate using Cu2O particle as probe

NASA Astrophysics Data System (ADS)

Ouyang, Huixiang; Liang, Aihui; Jiang, Zhiliang

2018-02-01

The stable Cu2O nanocubic (Cu2ONC) sol was prepared, based on graphene oxide (GO) catalysis of glucose-Fehling's reagent reaction, and its absorption and resonance Rayleigh scattering (RRS) spectra, transmission electron microscopy (TEM) and energy dispersive spectroscopy (EDS) were examined. Using the as-prepared Cu2ONC as RRS probe, and coupling with the neomycin sulfate (NEO) complex reaction, a new, simple, sensitive and selective RRS-energy transfer (RRS-ET) method was established for detection of neomycin sulfate, with a linear range of 1.4-112 μM and a detection limit of 0.4 μM. The method has been applied to the detection of neomycin sulfate in samples with satisfactory results.

Applied Mathematical Methods in Theoretical Physics

NASA Astrophysics Data System (ADS)

Masujima, Michio

2005-04-01

All there is to know about functional analysis, integral equations and calculus of variations in a single volume. This advanced textbook is divided into two parts: The first on integral equations and the second on the calculus of variations. It begins with a short introduction to functional analysis, including a short review of complex analysis, before continuing a systematic discussion of different types of equations, such as Volterra integral equations, singular integral equations of Cauchy type, integral equations of the Fredholm type, with a special emphasis on Wiener-Hopf integral equations and Wiener-Hopf sum equations. After a few remarks on the historical development, the second part starts with an introduction to the calculus of variations and the relationship between integral equations and applications of the calculus of variations. It further covers applications of the calculus of variations developed in the second half of the 20th century in the fields of quantum mechanics, quantum statistical mechanics and quantum field theory. Throughout the book, the author presents over 150 problems and exercises -- many from such branches of physics as quantum mechanics, quantum statistical mechanics, and quantum field theory -- together with outlines of the solutions in each case. Detailed solutions are given, supplementing the materials discussed in the main text, allowing problems to be solved making direct use of the method illustrated. The original references are given for difficult problems. The result is complete coverage of the mathematical tools and techniques used by physicists and applied mathematicians Intended for senior undergraduates and first-year graduates in science and engineering, this is equally useful as a reference and self-study guide.

Six Sigma methods applied to cryogenic coolers assembly line

NASA Astrophysics Data System (ADS)

Ventre, Jean-Marc; Germain-Lacour, Michel; Martin, Jean-Yves; Cauquil, Jean-Marc; Benschop, Tonny; Griot, René

2009-05-01

Six Sigma method have been applied to manufacturing process of a rotary Stirling cooler: RM2. Name of the project is NoVa as main goal of the Six Sigma approach is to reduce variability (No Variability). Project has been based on the DMAIC guideline following five stages: Define, Measure, Analyse, Improve, Control. Objective has been set on the rate of coolers succeeding performance at first attempt with a goal value of 95%. A team has been gathered involving people and skills acting on the RM2 manufacturing line. Measurement System Analysis (MSA) has been applied to test bench and results after R&R gage show that measurement is one of the root cause for variability in RM2 process. Two more root causes have been identified by the team after process mapping analysis: regenerator filling factor and cleaning procedure. Causes for measurement variability have been identified and eradicated as shown by new results from R&R gage. Experimental results show that regenerator filling factor impacts process variability and affects yield. Improved process haven been set after new calibration process for test bench, new filling procedure for regenerator and an additional cleaning stage have been implemented. The objective for 95% coolers succeeding performance test at first attempt has been reached and kept for a significant period. RM2 manufacturing process is now managed according to Statistical Process Control based on control charts. Improvement in process capability have enabled introduction of sample testing procedure before delivery.

The transfer function method for gear system dynamics applied to conventional and minimum excitation gearing designs

NASA Technical Reports Server (NTRS)

Mark, W. D.

1982-01-01

A transfer function method for predicting the dynamic responses of gear systems with more than one gear mesh is developed and applied to the NASA Lewis four-square gear fatigue test apparatus. Methods for computing bearing-support force spectra and temporal histories of the total force transmitted by a gear mesh, the force transmitted by a single pair of teeth, and the maximum root stress in a single tooth are developed. Dynamic effects arising from other gear meshes in the system are included. A profile modification design method to minimize the vibration excitation arising from a pair of meshing gears is reviewed and extended. Families of tooth loading functions required for such designs are developed and examined for potential excitation of individual tooth vibrations. The profile modification design method is applied to a pair of test gears.

The Constant Intensity Cut Method applied to the KASCADE-Grande muon data

NASA Astrophysics Data System (ADS)

Arteaga-Velázquez, J. C.; Apel, W. D.; Badea, F.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Brüggemann, M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Kolotaev, Y.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F.; Sima, O.; Stümpert, M.; Toma, G.; Trinchero, G.; Ulrich, H.; Walkowiak, W.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2009-12-01

The constant intensity cut method is a very useful tool to reconstruct the cosmic ray energy spectrum in order to combine or compare extensive air shower data measured for different attenuation depths independently of the MC model. In this contribution the method is used to explore the muon data of the KASCADE-Grande experiment. In particular, with this technique, the measured muon number spectra for different zenith angle ranges are compared and summed up to obtain a single muon spectrum for the measured showers. Preliminary results are presented, along with estimations of the systematic uncertainties associated with the analysis technique.

An estimation method for echo signal energy of pipe inner surface longitudinal crack detection by 2-D energy coefficients integration

NASA Astrophysics Data System (ADS)

Zhou, Shiyuan; Sun, Haoyu; Xu, Chunguang; Cao, Xiandong; Cui, Liming; Xiao, Dingguo

2015-03-01

The echo signal energy is directly affected by the incident sound beam eccentricity or angle for thick-walled pipes inner longitudinal cracks detection. A method for analyzing the relationship between echo signal energy between the values of incident eccentricity is brought forward, which can be used to estimate echo signal energy when testing inside wall longitudinal crack of pipe, using mode-transformed compression wave adaptation of shear wave with water-immersion method, by making a two-dimension integration of "energy coefficient" in both circumferential and axial directions. The calculation model is founded for cylinder sound beam case, in which the refraction and reflection energy coefficients of different rays in the whole sound beam are considered different. The echo signal energy is calculated for a particular cylinder sound beam testing different pipes: a beam with a diameter of 0.5 inch (12.7mm) testing a φ279.4mm pipe and a φ79.4mm one. As a comparison, both the results of two-dimension integration and one-dimension (circumferential direction) integration are listed, and only the former agrees well with experimental results. The estimation method proves to be valid and shows that the usual method of simplifying the sound beam as a single ray for estimating echo signal energy and choosing optimal incident eccentricity is not so appropriate.

10 CFR 12.102 - When the EAJA applies.

Code of Federal Regulations, 2010 CFR

2010-01-01

... 10 Energy 1 2010-01-01 2010-01-01 false When the EAJA applies. 12.102 Section 12.102 Energy NUCLEAR REGULATORY COMMISSION IMPLEMENTATION OF THE EQUAL ACCESS TO JUSTICE ACT IN AGENCY PROCEEDINGS General Provisions § 12.102 When the EAJA applies. The EAJA applies to any covered adversary adjudication...

Low energy electron-molecule scattering using the R-matrix method

NASA Astrophysics Data System (ADS)

Gorfinkiel, Jimena

2014-10-01

The study of electron-molecule collisions continues to attract significant interest stimulated, in no small part, by the need for collisional data to model a number of physical environments and applied processes (e.g. the modelling of focused electron beam induced deposition and the description of the interaction of radiation with biological matter). This need for electron scattering data (cross sections but also information on the temporary negative ions, TNI, that can be formed) has motivated the renewed development of theoretical methodology and their computational implementation. I will present the latest developments in the study of low energy electron scattering from molecules and molecular clusters using the R-matrix method. Recent calculations on electron collisions with biologically relevant molecules have shed light on the formation of core-excited TNI these larger targets. The picture that emerges is much more complex than previously thought. I will discuss some examples as well as current and future developments of the methodology and software in order to provide more accurate collisional data (in particular cross sections) for bigger targets. In collaboration with Zdenek Masin, The Open University. This work was partially supported by EPSRC.

Self-interaction corrections applied to Mg-porphyrin, C60, and pentacene molecules

NASA Astrophysics Data System (ADS)

Pederson, Mark R.; Baruah, Tunna; Kao, Der-you; Basurto, Luis

2016-04-01

We have applied a recently developed method to incorporate the self-interaction correction through Fermi orbitals to Mg-porphyrin, C60, and pentacene molecules. The Fermi-Löwdin orbitals are localized and unitarily invariant to the Kohn-Sham orbitals from which they are constructed. The self-interaction-corrected energy is obtained variationally leading to an optimum set of Fermi-Löwdin orbitals (orthonormalized Fermi orbitals) that gives the minimum energy. A Fermi orbital, by definition, is dependent on a certain point which is referred to as the descriptor position. The degree to which the initial choice of descriptor positions influences the variational approach to the minimum and the complexity of the energy landscape as a function of Fermi-orbital descriptors is examined in detail for Mg-porphyrin. The applications presented here also demonstrate that the method can be applied to larger molecular systems containing a few hundred electrons. The atomization energy of the C60 molecule within the Fermi-Löwdin-orbital self-interaction-correction approach is significantly improved compared to local density approximation in the Perdew-Wang 92 functional and generalized gradient approximation of Perdew-Burke-Ernzerhof functionals. The eigenvalues of the highest occupied molecular orbitals show qualitative improvement.

Resting energy expenditure; assessment methods and applications.

PubMed

Blasco Redondo, Raquel

2015-02-26

The energetic expense daily total of an individual (EEDT) represents the energy that the organism consumes. It is constituted by the sum of: metabolic basal rate (MBR), termogenesis endogenous (TE) and energetic expense linked to the physical activity (EEPA). The determination of the EEDT considering the physical activity and the state of health of a person, it is very important to fit the calculation of the nutritional need for every individual. The MBR is the minimal quantity of energy that an organism needs to be alive. It constitutes a from 60 to 70 % of the EEPA in the majority of the sedentary adults, while, in the physically very active individuals it is of approximately 50 %. It changes depending on the corporal composition, specially on the corporal lean mass. The basal metabolism expressed as MRB, it is different from the metabolic rate in rest (MRR) or Resting energy expenditure (REE); the latter is obtained when the determination is done in rest and in the conditions described for the MRB but not in fasting, including therefore the energy used for the biological utilization of the food. Habitually, the REE decides by means of different technologies as the indirect calorimetry, the electrical bioimpedancy, the doubly marked water, the predictive equations, between others. These methods are used in the clinical practice and in scientific studies. Nevertheless, due to the inconsistency of the results of these researches, still there is no a consensus with regard to his applicability though the evidence indicates that the measurement of the consumption of oxygen, it is the method of major precision. This review has as aim expose the components of the energetic expense in rest, as well as the technologies for its determination and estimation, indicating its advantages, limitations and practical applications. Part of the technologies of evaluation of the energetic expense described in this review, they remain relegated, for its complexity and cost to the area

A method to evaluate performance reliability of individual subjects in laboratory research applied to work settings.

DOT National Transportation Integrated Search

1978-10-01

This report presents a method that may be used to evaluate the reliability of performance of individual subjects, particularly in applied laboratory research. The method is based on analysis of variance of a tasks-by-subjects data matrix, with all sc...

Comparison among methods of effective energy evaluation of corn silage for beef cattle.

PubMed

Wei, Ming; Chen, Zhiqiang; Wei, Shengjuan; Geng, Guangduo; Yan, Peishi

2018-06-01

This study was conducted to compare different methods on effective energy evaluation of corn silage for beef cattle. Twenty Wandong bulls (Chinese indigenous yellow cattle) with initial body weight of 281±15.6 kg, were assigned to 1 of 5 dietary treatments with 4 animals per treatment in a randomized complete block design. Five dietary treatments included group 1 with corn silage only diet, group 2 with corn silage-concentrate basal diet (BD) and 3 groups with 3 test diets, which were the BD partly substituted by corn silage at 10%, 30%, and 60%. The total collection digestion trial was conducted for 5 d for each block after a 10-d adaptation period, and then an open-circuit respiratory cage was used to measure the gas exchange of each animal in a consecutive 4-d period. The direct method-derived metabolizable energy and net energy of corn silage were 8.86 and 5.15 MJ/kg dry matter (DM), expressed as net energy requirement for maintenance and gain were 5.28 and 2.90 MJ/kg DM, respectively; the corresponding regression method-derived estimates were 8.96, 5.34, 5.37, and 2.98 MJ/kg DM, respectively. The direct method-derived estimates were not different (p>0.05) from those obtained using the regression method. Using substitution method, the nutrient apparent digestibility and effective energy values of corn silage varied with the increased corn silage substitution ratio (p<0.05). In addition, the corn silage estimates at the substitution ratio of 30% were similar to those estimated by direct and regression methods. In determining the energy value of corn silage using substitution method, there was a discrepancy between different substitution ratios, and the substitution ratio of 30% was more appropriate than 10% or 60% in the current study. The regression method based on multiple point substitution was more appropriate than single point substitution on energy evaluation of feedstuffs for beef cattle.

Applying systems ergonomics methods in sport: A systematic review.

PubMed

Hulme, Adam; Thompson, Jason; Plant, Katherine L; Read, Gemma J M; Mclean, Scott; Clacy, Amanda; Salmon, Paul M

2018-04-16

As sports systems become increasingly more complex, competitive, and technology-centric, there is a greater need for systems ergonomics methods to consider the performance, health, and safety of athletes in context with the wider settings in which they operate. Therefore, the purpose of this systematic review was to identify and critically evaluate studies which have applied a systems ergonomics research approach in the context of sports performance and injury management. Five databases (PubMed, Scopus, ScienceDirect, Web of Science, and SPORTDiscus) were searched for the dates 01 January 1990 to 01 August 2017, inclusive, for original peer-reviewed journal articles and conference papers. Reported analyses were underpinned by a recognised systems ergonomics method, and study aims were related to the optimisation of sports performance (e.g. communication, playing style, technique, tactics, or equipment), and/or the management of sports injury (i.e. identification, prevention, or treatment). A total of seven articles were identified. Two articles were focussed on understanding and optimising sports performance, whereas five examined sports injury management. The methods used were the Event Analysis of Systemic Teamwork, Cognitive Work Analysis (the Work Domain Analysis Abstraction Hierarchy), Rasmussen's Risk Management Framework, and the Systems Theoretic Accident Model and Processes method. The individual sport application was distance running, whereas the team sports contexts examined were cycling, football, Australian Football League, and rugby union. The included systems ergonomics applications were highly flexible, covering both amateur and elite sports contexts. The studies were rated as valuable, providing descriptions of injury controls and causation, the factors influencing injury management, the allocation of responsibilities for injury prevention, as well as the factors and their interactions underpinning sports performance. Implications and future

A method for mapping apparent stress and energy radiation applied to the 1994 Northridge earthquake fault zone

USGS Publications Warehouse

McGarr, A.; Fletcher, Joe B.

2000-01-01

Using the Northridge earthquake as an example, we demonstrate a new technique able to resolve apparent stress within subfaults of a larger fault plane. From the model of Wald et al. (1996), we estimated apparent stress for each subfault using τa = (G/β)/2 where G is the modulus of rigidity, β is the shear wave speed, and is the average slip rate. The image of apparent stress mapped over the Northridge fault plane supports the idea that the stresses causing fault slip are inhomogeneous, but limited by the strength of the crust. Indeed, over the depth range 5 to 17 km, maximum values of apparent stress for a given depth interval agree with τa(max)=0.06S(z), where S is the laboratory estimate of crustal strength as a function of depth z. The seismic energy from each subfault was estimated from the product τaDA, where A is subfault area and D its slip. Over the fault zone, we found that the radiated energy is quite variable spatially, with more than 50% of the total coming from just 15% of the subfaults.

Three-dimensionally patterned energy absorptive material and method of fabrication

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

Duoss, Eric; Frank, James M.; Kuntz, Joshua

A three-dimensionally patterned energy absorptive material and fabrication method having multiple layers of patterned filaments extrusion-formed from a curable pre-cursor material and stacked and cured in a three-dimensionally patterned architecture so that the energy absorptive material produced thereby has an engineered bulk property associated with the three-dimensionally patterned architecture.

Critical path method applied to research project planning: Fire Economics Evaluation System (FEES)

Treesearch

Earl B. Anderson; R. Stanton Hales

1986-01-01

The critical path method (CPM) of network analysis (a) depicts precedence among the many activities in a project by a network diagram; (b) identifies critical activities by calculating their starting, finishing, and float times; and (c) displays possible schedules by constructing time charts. CPM was applied to the development of the Forest Service's Fire...

Applying Item Response Theory Methods to Design a Learning Progression-Based Science Assessment

ERIC Educational Resources Information Center

Chen, Jing

2012-01-01

Learning progressions are used to describe how students' understanding of a topic progresses over time and to classify the progress of students into steps or levels. This study applies Item Response Theory (IRT) based methods to investigate how to design learning progression-based science assessments. The research questions of this study are: (1)…

Video Extrapolation Method Based on Time-Varying Energy Optimization and CIP.

PubMed

Sakaino, Hidetomo

2016-09-01

Video extrapolation/prediction methods are often used to synthesize new videos from images. For fluid-like images and dynamic textures as well as moving rigid objects, most state-of-the-art video extrapolation methods use non-physics-based models that learn orthogonal bases from a number of images but at high computation cost. Unfortunately, data truncation can cause image degradation, i.e., blur, artifact, and insufficient motion changes. To extrapolate videos that more strictly follow physical rules, this paper proposes a physics-based method that needs only a few images and is truncation-free. We utilize physics-based equations with image intensity and velocity: optical flow, Navier-Stokes, continuity, and advection equations. These allow us to use partial difference equations to deal with the local image feature changes. Image degradation during extrapolation is minimized by updating model parameters, where a novel time-varying energy balancer model that uses energy based image features, i.e., texture, velocity, and edge. Moreover, the advection equation is discretized by high-order constrained interpolation profile for lower quantization error than can be achieved by the previous finite difference method in long-term videos. Experiments show that the proposed energy based video extrapolation method outperforms the state-of-the-art video extrapolation methods in terms of image quality and computation cost.

Comparing two Bayes methods based on the free energy functions in Bernoulli mixtures.

PubMed

Yamazaki, Keisuke; Kaji, Daisuke

2013-08-01

Hierarchical learning models are ubiquitously employed in information science and data engineering. The structure makes the posterior distribution complicated in the Bayes method. Then, the prediction including construction of the posterior is not tractable though advantages of the method are empirically well known. The variational Bayes method is widely used as an approximation method for application; it has the tractable posterior on the basis of the variational free energy function. The asymptotic behavior has been studied in many hierarchical models and a phase transition is observed. The exact form of the asymptotic variational Bayes energy is derived in Bernoulli mixture models and the phase diagram shows that there are three types of parameter learning. However, the approximation accuracy or interpretation of the transition point has not been clarified yet. The present paper precisely analyzes the Bayes free energy function of the Bernoulli mixtures. Comparing free energy functions in these two Bayes methods, we can determine the approximation accuracy and elucidate behavior of the parameter learning. Our results claim that the Bayes free energy has the same learning types while the transition points are different. Copyright © 2013 Elsevier Ltd. All rights reserved.

A method for predicting individual residue contributions to enzyme specificity and binding-site energies, and its application to MTH1.

PubMed

Stewart, James J P

2016-11-01

A new method for predicting the energy contributions to substrate binding and to specificity has been developed. Conventional global optimization methods do not permit the subtle effects responsible for these properties to be modeled with sufficient precision to allow confidence to be placed in the results, but by making simple alterations to the model, the precisions of the various energies involved can be improved from about ±2 kcal mol -1 to ±0.1 kcal mol -1 . This technique was applied to the oxidized nucleotide pyrophosphohydrolase enzyme MTH1. MTH1 is unusual in that the binding and reaction sites are well separated-an advantage from a computational chemistry perspective, as it allows the energetics involved in docking to be modeled without the need to consider any issues relating to reaction mechanisms. In this study, two types of energy terms were investigated: the noncovalent interactions between the binding site and the substrate, and those responsible for discriminating between the oxidized nucleotide 8-oxo-dGTP and the normal dGTP. Both of these were investigated using the semiempirical method PM7 in the program MOPAC. The contributions of the individual residues to both the binding energy and the specificity of MTH1 were calculated by simulating the effect of mutations. Where comparisons were possible, all calculated results were in agreement with experimental observations. This technique provides fresh insight into the binding mechanism that enzymes use for discriminating between possible substrates.

Donor impurity binding energies of coaxial GaAs / Alx Ga1 - x As cylindrical quantum wires in a parallel applied magnetic field

NASA Astrophysics Data System (ADS)

Tshipa, M.; Winkoun, D. P.; Nijegorodov, N.; Masale, M.

2018-04-01

Theoretical investigations are carried out of binding energies of a donor charge assumed to be located exactly at the center of symmetry of two concentric cylindrical quantum wires. The intrinsic confinement potential in the region of the inner cylinder is modeled in any one of the three profiles: simple parabolic, shifted parabolic or the polynomial potential. The potential inside the shell is taken to be a potential step or potential barrier of a finite height. Additional confinement of the charge carriers is due to the vector potential of the axial applied magnetic field. It is found that the binding energies attain maxima in their variations with the radius of the inner cylinder irrespective of the particular intrinsic confinement of the inner cylinder. As the radius of the inner cylinder is increased further, the binding energies corresponding to either the parabolic or the polynomial potentials attain minima at some critical core-radius. Finally, as anticipated, the binding energies increase with the increase of the parallel applied magnetic field. This behaviour of the binding energies is irrespective of the particular electric potential of the nanostructure or its specific dimensions.

Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions.

PubMed

Olson, Mark A; Feig, Michael; Brooks, Charles L

2008-04-15

This article examines ab initio methods for the prediction of protein loops by a computational strategy of multiscale conformational sampling and physical energy scoring functions. Our approach consists of initial sampling of loop conformations from lattice-based low-resolution models followed by refinement using all-atom simulations. To allow enhanced conformational sampling, the replica exchange method was implemented. Physical energy functions based on CHARMM19 and CHARMM22 parameterizations with generalized Born (GB) solvent models were applied in scoring loop conformations extracted from the lattice simulations and, in the case of all-atom simulations, the ensemble of conformations were generated and scored with these models. Predictions are reported for 25 loop segments, each eight residues long and taken from a diverse set of 22 protein structures. We find that the simulations generally sampled conformations with low global root-mean-square-deviation (RMSD) for loop backbone coordinates from the known structures, whereas clustering conformations in RMSD space and scoring detected less favorable loop structures. Specifically, the lattice simulations sampled basins that exhibited an average global RMSD of 2.21 +/- 1.42 A, whereas clustering and scoring the loop conformations determined an RMSD of 3.72 +/- 1.91 A. Using CHARMM19/GB to refine the lattice conformations improved the sampling RMSD to 1.57 +/- 0.98 A and detection to 2.58 +/- 1.48 A. We found that further improvement could be gained from extending the upper temperature in the all-atom refinement from 400 to 800 K, where the results typically yield a reduction of approximately 1 A or greater in the RMSD of the detected loop. Overall, CHARMM19 with a simple pairwise GB solvent model is more efficient at sampling low-RMSD loop basins than CHARMM22 with a higher-resolution modified analytical GB model; however, the latter simulation method provides a more accurate description of the all-atom energy

Method of achieving the controlled release of thermonuclear energy

DOEpatents

Brueckner, Keith A.

1986-01-01

A method of achieving the controlled release of thermonuclear energy by illuminating a minute, solid density, hollow shell of a mixture of material such as deuterium and tritium with a high intensity, uniformly converging laser wave to effect an extremely rapid build-up of energy in inwardly traveling shock waves to implode the shell creating thermonuclear conditions causing a reaction of deuterons and tritons and a resultant high energy thermonuclear burn. Utilizing the resulting energy as a thermal source and to breed tritium or plutonium. The invention also contemplates a laser source wherein the flux level is increased with time to reduce the initial shock heating of fuel and provide maximum compression after implosion; and, in addition, computations and an equation are provided to enable the selection of a design having a high degree of stability and a dependable fusion performance by establishing a proper relationship between the laser energy input and the size and character of the selected material for the fusion capsule.

Applying dynamic priority scheduling scheme to static systems of pinwheel task model in power-aware scheduling.

PubMed

Seol, Ye-In; Kim, Young-Kuk

2014-01-01

Power-aware scheduling reduces CPU energy consumption in hard real-time systems through dynamic voltage scaling (DVS). In this paper, we deal with pinwheel task model which is known as static and predictable task model and could be applied to various embedded or ubiquitous systems. In pinwheel task model, each task's priority is static and its execution sequence could be predetermined. There have been many static approaches to power-aware scheduling in pinwheel task model. But, in this paper, we will show that the dynamic priority scheduling results in power-aware scheduling could be applied to pinwheel task model. This method is more effective than adopting the previous static priority scheduling methods in saving energy consumption and, for the system being still static, it is more tractable and applicable to small sized embedded or ubiquitous computing. Also, we introduce a novel power-aware scheduling algorithm which exploits all slacks under preemptive earliest-deadline first scheduling which is optimal in uniprocessor system. The dynamic priority method presented in this paper could be applied directly to static systems of pinwheel task model. The simulation results show that the proposed algorithm with the algorithmic complexity of O(n) reduces the energy consumption by 10-80% over the existing algorithms.

Applying Dynamic Priority Scheduling Scheme to Static Systems of Pinwheel Task Model in Power-Aware Scheduling

PubMed Central

2014-01-01

Power-aware scheduling reduces CPU energy consumption in hard real-time systems through dynamic voltage scaling (DVS). In this paper, we deal with pinwheel task model which is known as static and predictable task model and could be applied to various embedded or ubiquitous systems. In pinwheel task model, each task's priority is static and its execution sequence could be predetermined. There have been many static approaches to power-aware scheduling in pinwheel task model. But, in this paper, we will show that the dynamic priority scheduling results in power-aware scheduling could be applied to pinwheel task model. This method is more effective than adopting the previous static priority scheduling methods in saving energy consumption and, for the system being still static, it is more tractable and applicable to small sized embedded or ubiquitous computing. Also, we introduce a novel power-aware scheduling algorithm which exploits all slacks under preemptive earliest-deadline first scheduling which is optimal in uniprocessor system. The dynamic priority method presented in this paper could be applied directly to static systems of pinwheel task model. The simulation results show that the proposed algorithm with the algorithmic complexity of O(n) reduces the energy consumption by 10–80% over the existing algorithms. PMID:25121126

Monte Carlo method for computing density of states and quench probability of potential energy and enthalpy landscapes.

PubMed

Mauro, John C; Loucks, Roger J; Balakrishnan, Jitendra; Raghavan, Srikanth

2007-05-21

The thermodynamics and kinetics of a many-body system can be described in terms of a potential energy landscape in multidimensional configuration space. The partition function of such a landscape can be written in terms of a density of states, which can be computed using a variety of Monte Carlo techniques. In this paper, a new self-consistent Monte Carlo method for computing density of states is described that uses importance sampling and a multiplicative update factor to achieve rapid convergence. The technique is then applied to compute the equilibrium quench probability of the various inherent structures (minima) in the landscape. The quench probability depends on both the potential energy of the inherent structure and the volume of its corresponding basin in configuration space. Finally, the methodology is extended to the isothermal-isobaric ensemble in order to compute inherent structure quench probabilities in an enthalpy landscape.

Chapter 21: Estimating Net Savings - Common Practices. 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; Violette, Daniel M.; Rathbun, Pamela

This chapter focuses on the methods used to estimate net energy savings in evaluation, measurement, and verification (EM and V) studies for energy efficiency (EE) programs. The chapter provides a definition of net savings, which remains an unsettled topic both within the EE evaluation community and across the broader public policy evaluation community, particularly in the context of attribution of savings to a program. The chapter differs from the measure-specific Uniform Methods Project (UMP) chapters in both its approach and work product. Unlike other UMP resources that provide recommended protocols for determining gross energy savings, this chapter describes and comparesmore » the current industry practices for determining net energy savings but does not prescribe methods.« less

A stoichiometric calibration method for dual energy computed tomography

NASA Astrophysics Data System (ADS)

Bourque, Alexandra E.; Carrier, Jean-François; Bouchard, Hugo

2014-04-01

The accuracy of radiotherapy dose calculation relies crucially on patient composition data. The computed tomography (CT) calibration methods based on the stoichiometric calibration of Schneider et al (1996 Phys. Med. Biol. 41 111-24) are the most reliable to determine electron density (ED) with commercial single energy CT scanners. Along with the recent developments in dual energy CT (DECT) commercial scanners, several methods were published to determine ED and the effective atomic number (EAN) for polyenergetic beams without the need for CT calibration curves. This paper intends to show that with a rigorous definition of the EAN, the stoichiometric calibration method can be successfully adapted to DECT with significant accuracy improvements with respect to the literature without the need for spectrum measurements or empirical beam hardening corrections. Using a theoretical framework of ICRP human tissue compositions and the XCOM photon cross sections database, the revised stoichiometric calibration method yields Hounsfield unit (HU) predictions within less than ±1.3 HU of the theoretical HU calculated from XCOM data averaged over the spectra used (e.g., 80 kVp, 100 kVp, 140 kVp and 140/Sn kVp). A fit of mean excitation energy (I-value) data as a function of EAN is provided in order to determine the ion stopping power of human tissues from ED-EAN measurements. Analysis of the calibration phantom measurements with the Siemens SOMATOM Definition Flash dual source CT scanner shows that the present formalism yields mean absolute errors of (0.3 ± 0.4)% and (1.6 ± 2.0)% on ED and EAN, respectively. For ion therapy, the mean absolute errors for calibrated I-values and proton stopping powers (216 MeV) are (4.1 ± 2.7)% and (0.5 ± 0.4)%, respectively. In all clinical situations studied, the uncertainties in ion ranges in water for therapeutic energies are found to be less than 1.3 mm, 0.7 mm and 0.5 mm for protons, helium and carbon ions respectively, using a generic

A method of predicting the energy-absorption capability of composite subfloor beams

NASA Technical Reports Server (NTRS)

Farley, Gary L.

1987-01-01

A simple method of predicting the energy-absorption capability of composite subfloor beam structure was developed. The method is based upon the weighted sum of the energy-absorption capability of constituent elements of a subfloor beam. An empirical data base of energy absorption results from circular and square cross section tube specimens were used in the prediction capability. The procedure is applicable to a wide range of subfloor beam structure. The procedure was demonstrated on three subfloor beam concepts. Agreement between test and prediction was within seven percent for all three cases.

10 CFR 55.31 - How to apply.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 10 Energy 2 2014-01-01 2014-01-01 false How to apply. 55.31 Section 55.31 Energy NUCLEAR REGULATORY COMMISSION (CONTINUED) OPERATORS' LICENSES Applications § 55.31 How to apply. (a) The applicant... writing the Office of Information Services, U.S. Nuclear Regulatory Commission, Washington, DC 20555-0001...

Two-Stage Design Method for Enhanced Inductive Energy Transmission with Q-Constrained Planar Square Loops.

PubMed

Eteng, Akaa Agbaeze; Abdul Rahim, Sharul Kamal; Leow, Chee Yen; Chew, Beng Wah; Vandenbosch, Guy A E

2016-01-01

Q-factor constraints are usually imposed on conductor loops employed as proximity range High Frequency Radio Frequency Identification (HF-RFID) reader antennas to ensure adequate data bandwidth. However, pairing such low Q-factor loops in inductive energy transmission links restricts the link transmission performance. The contribution of this paper is to assess the improvement that is reached with a two-stage design method, concerning the transmission performance of a planar square loop relative to an initial design, without compromise to a Q-factor constraint. The first stage of the synthesis flow is analytical in approach, and determines the number and spacing of turns by which coupling between similar paired square loops can be enhanced with low deviation from the Q-factor limit presented by an initial design. The second stage applies full-wave electromagnetic simulations to determine more appropriate turn spacing and widths to match the Q-factor constraint, and achieve improved coupling relative to the initial design. Evaluating the design method in a test scenario yielded a more than 5% increase in link transmission efficiency, as well as an improvement in the link fractional bandwidth by more than 3%, without violating the loop Q-factor limit. These transmission performance enhancements are indicative of a potential for modifying proximity HF-RFID reader antennas for efficient inductive energy transfer and data telemetry links.

An estimation method for echo signal energy of pipe inner surface longitudinal crack detection by 2-D energy coefficients integration

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

Zhou, Shiyuan, E-mail: redaple@bit.edu.cn; Sun, Haoyu, E-mail: redaple@bit.edu.cn; Xu, Chunguang, E-mail: redaple@bit.edu.cn

The echo signal energy is directly affected by the incident sound beam eccentricity or angle for thick-walled pipes inner longitudinal cracks detection. A method for analyzing the relationship between echo signal energy between the values of incident eccentricity is brought forward, which can be used to estimate echo signal energy when testing inside wall longitudinal crack of pipe, using mode-transformed compression wave adaptation of shear wave with water-immersion method, by making a two-dimension integration of “energy coefficient” in both circumferential and axial directions. The calculation model is founded for cylinder sound beam case, in which the refraction and reflection energymore » coefficients of different rays in the whole sound beam are considered different. The echo signal energy is calculated for a particular cylinder sound beam testing different pipes: a beam with a diameter of 0.5 inch (12.7mm) testing a φ279.4mm pipe and a φ79.4mm one. As a comparison, both the results of two-dimension integration and one-dimension (circumferential direction) integration are listed, and only the former agrees well with experimental results. The estimation method proves to be valid and shows that the usual method of simplifying the sound beam as a single ray for estimating echo signal energy and choosing optimal incident eccentricity is not so appropriate.« less

Monitoring Ion Implantation Energy Using Non-contact Characterization Methods

NASA Astrophysics Data System (ADS)

Tallian, M.; Pap, A.; Mocsar, K.; Somogyi, A.; Nadudvari, Gy.; Kosztka, D.; Pavelka, T.

2011-01-01

State-of-the-art ultra-shallow junctions are produced using extremely low ion implant energies, down to the range of 1-3 keV. This can be achieved by a variety of production techniques; however there is a significant risk that the actual implantation energy differs from the desired value. To detect this, sensitive measurement methods need to be utilized. Experiments show that both Photomodulated Reflection measurements before anneal and Junction Photovoltage-based sheet resistance measurements after anneal are suitable for this purpose.

Summation rules for a fully nonlocal energy-based quasicontinuum method

NASA Astrophysics Data System (ADS)

Amelang, J. S.; Venturini, G. N.; Kochmann, D. M.

2015-09-01

The quasicontinuum (QC) method coarse-grains crystalline atomic ensembles in order to bridge the scales from individual atoms to the micro- and mesoscales. A crucial cornerstone of all QC techniques, summation or quadrature rules efficiently approximate the thermodynamic quantities of interest. Here, we investigate summation rules for a fully nonlocal, energy-based QC method to approximate the total Hamiltonian of a crystalline atomic ensemble by a weighted sum over a small subset of all atoms in the crystal lattice. Our formulation does not conceptually differentiate between atomistic and coarse-grained regions and thus allows for seamless bridging without domain-coupling interfaces. We review traditional summation rules and discuss their strengths and weaknesses with a focus on energy approximation errors and spurious force artifacts. Moreover, we introduce summation rules which produce no residual or spurious force artifacts in centrosymmetric crystals in the large-element limit under arbitrary affine deformations in two dimensions (and marginal force artifacts in three dimensions), while allowing us to seamlessly bridge to full atomistics. Through a comprehensive suite of examples with spatially non-uniform QC discretizations in two and three dimensions, we compare the accuracy of the new scheme to various previous ones. Our results confirm that the new summation rules exhibit significantly smaller force artifacts and energy approximation errors. Our numerical benchmark examples include the calculation of elastic constants from completely random QC meshes and the inhomogeneous deformation of aggressively coarse-grained crystals containing nano-voids. In the elastic regime, we directly compare QC results to those of full atomistics to assess global and local errors in complex QC simulations. Going beyond elasticity, we illustrate the performance of the energy-based QC method with the new second-order summation rule by the help of nanoindentation examples with

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.

Review of NASA programs in applying aerospace technology to energy

NASA Technical Reports Server (NTRS)

Schwenk, F. C.

1981-01-01

NASA's role in energy research and development, with the aid of aerospace technology, is reviewed. A brief history, which began in 1974 with studies of solar energy systems on earth, is presented, and the major energy programs, consisting of over 60 different projects, are described, and include solar terrestrial systems, conservation and fossil energy systems, and space utilization systems. Special attention is given to the Satellite Power System and the isolation of nuclear wastes in space. Emerging prospects for NASA programs in energy technology include bioenergy, and ocean thermal energy conversion, coal extraction and conversion technologies, and support to the nuclear industry in power plant systems safety.

REMARKS ON THE MAXIMUM ENTROPY METHOD APPLIED TO FINITE TEMPERATURE LATTICE QCD.

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

UMEDA, T.; MATSUFURU, H.

2005-07-25

We make remarks on the Maximum Entropy Method (MEM) for studies of the spectral function of hadronic correlators in finite temperature lattice QCD. We discuss the virtues and subtlety of MEM in the cases that one does not have enough number of data points such as at finite temperature. Taking these points into account, we suggest several tests which one should examine to keep the reliability for the results, and also apply them using mock and lattice QCD data.

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.

Impacts of building geometry modeling methods on the simulation results of urban building energy models

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

Chen, Yixing; Hong, Tianzhen

We present that urban-scale building energy modeling (UBEM)—using building modeling to understand how a group of buildings will perform together—is attracting increasing attention in the energy modeling field. Unlike modeling a single building, which will use detailed information, UBEM generally uses existing building stock data consisting of high-level building information. This study evaluated the impacts of three zoning methods and the use of floor multipliers on the simulated energy use of 940 office and retail buildings in three climate zones using City Building Energy Saver. The first zoning method, OneZone, creates one thermal zone per floor using the target building'smore » footprint. The second zoning method, AutoZone, splits the building's footprint into perimeter and core zones. A novel, pixel-based automatic zoning algorithm is developed for the AutoZone method. The third zoning method, Prototype, uses the U.S. Department of Energy's reference building prototype shapes. Results show that simulated source energy use of buildings with the floor multiplier are marginally higher by up to 2.6% than those modeling each floor explicitly, which take two to three times longer to run. Compared with the AutoZone method, the OneZone method results in decreased thermal loads and less equipment capacities: 15.2% smaller fan capacity, 11.1% smaller cooling capacity, 11.0% smaller heating capacity, 16.9% less heating loads, and 7.5% less cooling loads. Source energy use differences range from -7.6% to 5.1%. When comparing the Prototype method with the AutoZone method, source energy use differences range from -12.1% to 19.0%, and larger ranges of differences are found for the thermal loads and equipment capacities. This study demonstrated that zoning methods have a significant impact on the simulated energy use of UBEM. Finally, one recommendation resulting from this study is to use the AutoZone method with floor multiplier to obtain accurate results while

Impacts of building geometry modeling methods on the simulation results of urban building energy models

DOE PAGES

Chen, Yixing; Hong, Tianzhen

2018-02-20

We present that urban-scale building energy modeling (UBEM)—using building modeling to understand how a group of buildings will perform together—is attracting increasing attention in the energy modeling field. Unlike modeling a single building, which will use detailed information, UBEM generally uses existing building stock data consisting of high-level building information. This study evaluated the impacts of three zoning methods and the use of floor multipliers on the simulated energy use of 940 office and retail buildings in three climate zones using City Building Energy Saver. The first zoning method, OneZone, creates one thermal zone per floor using the target building'smore » footprint. The second zoning method, AutoZone, splits the building's footprint into perimeter and core zones. A novel, pixel-based automatic zoning algorithm is developed for the AutoZone method. The third zoning method, Prototype, uses the U.S. Department of Energy's reference building prototype shapes. Results show that simulated source energy use of buildings with the floor multiplier are marginally higher by up to 2.6% than those modeling each floor explicitly, which take two to three times longer to run. Compared with the AutoZone method, the OneZone method results in decreased thermal loads and less equipment capacities: 15.2% smaller fan capacity, 11.1% smaller cooling capacity, 11.0% smaller heating capacity, 16.9% less heating loads, and 7.5% less cooling loads. Source energy use differences range from -7.6% to 5.1%. When comparing the Prototype method with the AutoZone method, source energy use differences range from -12.1% to 19.0%, and larger ranges of differences are found for the thermal loads and equipment capacities. This study demonstrated that zoning methods have a significant impact on the simulated energy use of UBEM. Finally, one recommendation resulting from this study is to use the AutoZone method with floor multiplier to obtain accurate results while

Cosmic rays energy determination by radio emission registration method at frequency 30-35 MHz

NASA Astrophysics Data System (ADS)

Knurenko, S. P.; Petrov, I. S.

2017-11-01

The study of cosmic rays (CR) of ultrahigh energies first of all requires an estimate of the energy, the spectrum in terms of energies, masses, and the anisotropy of the arrival of primary particles. This can only be done by calculating the energies of all the secondary particles formed during the interaction of the primary particle with the nuclei of the air atoms [1]. First of all, this is the registration of Cherenkov and ionization radiation [2, 3]. According to model calculations, the loss of ionization of air by particles is spent up to 80% of the total energy of the primary particle [4]. The rest of the energy is spent on nuclear interactions of hadrons (nucleons) and is carried away by high-energy muons at sea level. In the hybrid registration of air showers, i.e. electron, muon, and Cherenkov components, we can empirically estimate the energy of the primary CR particle. Such a method has been developed and is being used to this day at the Yakutsk complex installation of the EAS. A detailed description of this method is given in [5, 6]. As an alternative to the energy balance method, we describe below the method of independent estimation of E0 obtained by measuring the radio emission of EAS at the frequency of 30-35 MHz at the Yakutsk array.

Accuracy of analytic energy level formulas applied to hadronic spectroscopy of heavy mesons

NASA Technical Reports Server (NTRS)

Badavi, Forooz F.; Norbury, John W.; Wilson, John W.; Townsend, Lawrence W.

1988-01-01

Linear and harmonic potential models are used in the nonrelativistic Schroedinger equation to obtain article mass spectra for mesons as bound states of quarks. The main emphasis is on the linear potential where exact solutions of the S-state eigenvalues and eigenfunctions and the asymptotic solution for the higher order partial wave are obtained. A study of the accuracy of two analytical energy level formulas as applied to heavy mesons is also included. Cornwall's formula is found to be particularly accurate and useful as a predictor of heavy quarkonium states. Exact solution for all partial waves of eigenvalues and eigenfunctions for a harmonic potential is also obtained and compared with the calculated discrete spectra of the linear potential. Detailed derivations of the eigenvalues and eigenfunctions of the linear and harmonic potentials are presented in appendixes.

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.

10 CFR 205.300 - Who shall apply.

Code of Federal Regulations, 2013 CFR