Generation of high-value products by photosynthetic microorganisms: From sunlight to biofuels

DOE PAGES

Dubini, Alexandra; Antal, Taras K.

2015-08-12

In this paper, oxygenic photosynthesis is the singular important chemical process providing the energy source for almost all life on earth. It harnesses and stores sun energy in forms of high-energy intermediates, such as low potential electrons and ATP, used as energy sources primarily for the fixation of carbon from atmosphere into carbohydrates. The latter compounds supply carbon and energy to multiple anabolic processes associated with cell growth and division.

Generation of high-value products by photosynthetic microorganisms: From sunlight to biofuels

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

Dubini, Alexandra; Antal, Taras K.

In this paper, oxygenic photosynthesis is the singular important chemical process providing the energy source for almost all life on earth. It harnesses and stores sun energy in forms of high-energy intermediates, such as low potential electrons and ATP, used as energy sources primarily for the fixation of carbon from atmosphere into carbohydrates. The latter compounds supply carbon and energy to multiple anabolic processes associated with cell growth and division.

Self-Paced Physics, Segment 18.

ERIC Educational Resources Information Center

New York Inst. of Tech., Old Westbury.

Eighty-seven problems are included in this volume which is arranged to match study segments 2 through 14. The subject matter is related to projectiles, simple harmonic motion, kinetic friction, multiple pulley arrangements, motion on inclined planes, circular motion, potential energy, kinetic energy, center of mass, Newton's laws, elastic and…

Task 2 Report - A GIS-Based Technical Potential Assessment of Domestic Energy Resources for Electricity Generation.

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

Lee, Nathan; Grue, Nicholas W; Rosenlieb, Evan

The purpose of this report is to support the Lao Ministry of Energy and Mines in assessing the technical potential of domestic energy resources for utility scale electricity generation in the Lao PDR. Specifically, this work provides assessments of technical potential, and associated maps of developable areas, for energy technologies of interest. This report details the methodology, assumptions, and datasets employed in this analysis to provide a transparent, replicable process for future analyses. The methodology and results presented are intended to be a fundamental input to subsequent decision making and energy planning-related analyses. This work concentrates on domestic energy resourcesmore » for utility-scale electricity generation and considers solar photovoltaic, wind, biomass, and coal resources. This work does not consider potentially imported energy resources (e.g., natural gas) or domestic energy resources that are not present in sufficient quantity for utility-scale generation (e.g., geothermal resources). A technical potential assessment of hydropower resources is currently not feasible due to the absence of required data including site-level assessments of multiple characteristics (e.g., geology environment and access) as well as spatial data on estimated non-exploited hydropower resources. This report is the second output of the Energy Alternatives Study for the Lao PDR, a collaboration led by the Lao Ministry of Energy and Mines and the United States Agency for International Development under the auspices of the Smart Infrastructure for the Mekong program. The Energy Alternatives Study is composed of five successive tasks that collectively support the project's goals. This work is focused on Task 2 - Assess technical potential of domestic energy resources for electricity generation. The work was carried out by a team from the U.S. Department of Energy's National Renewable Energy Laboratory (NREL) in collaboration with the Lao Ministry of Energy and Mines and other Lao power sector stakeholders. and datasets employed in this analysis to provide a transparent, replicable process for future analyses. The methodology and results presented are intended to be a fundamental input to subsequent decision making and energy planning-related analyses. This work concentrates on domestic energy resources for utility-scale electricity generation and considers solar photovoltaic, wind, biomass, and coal resources. This work does not consider potentially imported energy resources (e.g., natural gas) or domestic energy resources that are not present in sufficient quantity for utility-scale generation (e.g., geothermal resources). A technical potential assessment of hydropower resources is currently not feasible due to the absence of required data including site-level assessments of multiple characteristics (e.g., geology environment and access) as well as spatial data on estimated non-exploited hydropower resources.« less

Infrastructure-Based Sensors Augmenting Efficient Autonomous Vehicle Operations: Preprint

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

Jun, Myungsoo; Markel, Anthony J

Autonomous vehicle technology development relies on an on-board network of fused sensor inputs for safe and efficient operation. The fused sensors offer multiple perspectives of similar information aiding in system decision robustness. The high cost of full systems on individual vehicles is seen as a potential barrier to broad adoption and achieving system energy efficiency gains. Since traffic in autonomous vehicle technology development relies on an on-board network of fused sensor inputs for safe and efficient operation. The fused sensors offer multiple perspectives of similar information aiding in system decision robustness. The high cost of full systems on individual vehiclesmore » is seen as a potential barrier to broad adoption and achieving system energy efficiency gains.« less

Energy Efficiency in Public Buildings through Context-Aware Social Computing

PubMed Central

García, Óscar; Alonso, Ricardo S.; Prieto, Javier; Corchado, Juan M.

2017-01-01

The challenge of promoting behavioral changes in users that leads to energy savings in public buildings has become a complex task requiring the involvement of multiple technologies. Wireless sensor networks have a great potential for the development of tools, such as serious games, that encourage acquiring good energy and healthy habits among users in the workplace. This paper presents the development of a serious game using CAFCLA, a framework that allows for integrating multiple technologies, which provide both context-awareness and social computing. Game development has shown that the data provided by sensor networks encourage users to reduce energy consumption in their workplace and that social interactions and competitiveness allow for accelerating the achievement of good results and behavioral changes that favor energy savings. PMID:28398237

Multiple e-pharmacophore modelling pooled with high-throughput virtual screening, docking and molecular dynamics simulations to discover potential inhibitors of Plasmodium falciparum lactate dehydrogenase (PfLDH).

PubMed

Saxena, Shalini; Durgam, Laxman; Guruprasad, Lalitha

2018-05-14

Development of new antimalarial drugs continues to be of huge importance because of the resistance of malarial parasite towards currently used drugs. Due to the reliance of parasite on glycolysis for energy generation, glycolytic enzymes have played important role as potential targets for the development of new drugs. Plasmodium falciparum lactate dehydrogenase (PfLDH) is a key enzyme for energy generation of malarial parasites and is considered to be a potential antimalarial target. Presently, there are nearly 15 crystal structures bound with inhibitors and substrate that are available in the protein data bank (PDB). In the present work, we attempted to consider multiple crystal structures with bound inhibitors showing affinity in the range of 1.4 × 10 2 -1.3 × 10 6  nM efficacy and optimized the pharmacophore based on the energy involved in binding termed as e-pharmacophore mapping. A high throughput virtual screening (HTVS) combined with molecular docking, ADME predictions and molecular dynamics simulation led to the identification of 20 potential compounds which could be further developed as novel inhibitors for PfLDH.

Criticality of the electron-nucleus cusp condition to local effective potential-energy theories

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

Pan Xiaoyin; Sahni, Viraht; Graduate School of the City University of New York, 360 Fifth Avenue, New York, New York 10016

2003-01-01

Local(multiplicative) effective potential energy-theories of electronic structure comprise the transformation of the Schroedinger equation for interacting Fermi systems to model noninteracting Fermi or Bose systems whereby the equivalent density and energy are obtained. By employing the integrated form of the Kato electron-nucleus cusp condition, we prove that the effective electron-interaction potential energy of these model fermions or bosons is finite at a nucleus. The proof is general and valid for arbitrary system whether it be atomic, molecular, or solid state, and for arbitrary state and symmetry. This then provides justification for all prior work in the literature based on themore » assumption of finiteness of this potential energy at a nucleus. We further demonstrate the criticality of the electron-nucleus cusp condition to such theories by an example of the hydrogen molecule. We show thereby that both model system effective electron-interaction potential energies, as determined from densities derived from accurate wave functions, will be singular at the nucleus unless the wave function satisfies the electron-nucleus cusp condition.« less

Potential Economic Impacts from Offshore Wind in the Gulf of Mexico Region (Fact Sheet)

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

Flores, F.; Keyser, D.; Tegen, S.

2014-01-01

Offshore wind is a clean, renewable source of energy and can be an economic driver in the United States. To better understand the employment opportunities and other potential regional economic impacts from offshore wind development, the U.S. Department of Energy (DOE) funded research that focuses on four regions of the country. The studies use multiple scenarios with various local job and domestic manufacturing content assumptions. Each regional study uses the new offshore wind Jobs and Economic Development Impacts (JEDI) model, developed by the National Renewable Energy Laboratory. This fact sheet summarizes the potential economic impacts for the Gulf of Mexicomore » region.« less

Alternate Energy Research and Technology Challenges in the New Millennium

DTIC Science & Technology

2010-09-01

Methyl Ester (FAME) Hydro-treating (Hydrogen) Green diesel Multiple Biomass (Municipal Waste) Biomass to Liquid (BTL Gasification ) (formation...the depletion The Coming Oil Crisis, Colin J. Campbell 10
 • Conservation / Efficiency -- not enough Renewables • Biomass ...candidates for Navy / DOD) 11
 Biomass : A Potential Renewable Energy Source 12
 • The oldest known energy source since the discovery of fire

Fission barriers from multidimensionally-constrained covariant density functional theories

NASA Astrophysics Data System (ADS)

Lu, Bing-Nan; Zhao, Jie; Zhao, En-Guang; Zhou, Shan-Gui

2017-11-01

In recent years, we have developed the multidimensionally-constrained covariant density functional theories (MDC-CDFTs) in which both axial and spatial reflection symmetries are broken and all shape degrees of freedom described by βλμ with even μ, such as β20, β22, β30, β32, β40, etc., are included self-consistently. The MDC-CDFTs have been applied to the investigation of potential energy surfaces and fission barriers of actinide nuclei, third minima in potential energy surfaces of light actinides, shapes and potential energy surfaces of superheavy nuclei, octupole correlations between multiple chiral doublet bands in 78Br, octupole correlations in Ba isotopes, the Y32 correlations in N = 150 isotones and Zr isotopes, the spontaneous fission of Fm isotopes, and shapes of hypernuclei. In this contribution we present the formalism of MDC-CDFTs and the application of these theories to the study of fission barriers and potential energy surfaces of actinide nuclei.

Multiple-exciton generation in lead selenide nanorod solar cells with external quantum efficiencies exceeding 120%

PubMed Central

Davis, Nathaniel J. L. K.; Böhm, Marcus L.; Tabachnyk, Maxim; Wisnivesky-Rocca-Rivarola, Florencia; Jellicoe, Tom C.; Ducati, Caterina; Ehrler, Bruno; Greenham, Neil C.

2015-01-01

Multiple-exciton generation—a process in which multiple charge-carrier pairs are generated from a single optical excitation—is a promising way to improve the photocurrent in photovoltaic devices and offers the potential to break the Shockley–Queisser limit. One-dimensional nanostructures, for example nanorods, have been shown spectroscopically to display increased multiple exciton generation efficiencies compared with their zero-dimensional analogues. Here we present solar cells fabricated from PbSe nanorods of three different bandgaps. All three devices showed external quantum efficiencies exceeding 100% and we report a maximum external quantum efficiency of 122% for cells consisting of the smallest bandgap nanorods. We estimate internal quantum efficiencies to exceed 150% at relatively low energies compared with other multiple exciton generation systems, and this demonstrates the potential for substantial improvements in device performance due to multiple exciton generation. PMID:26411283

Energy requirement for the production of silicon solar arrays

NASA Technical Reports Server (NTRS)

Lindmayer, J.; Wihl, M.; Scheinine, A.; Morrison, A.

1977-01-01

An assessment of potential changes and alternative technologies which could impact the photovoltaic manufacturing process is presented. Topics discussed include: a multiple wire saw, ribbon growth techniques, silicon casting, and a computer model for a large-scale solar power plant. Emphasis is placed on reducing the energy demands of the manufacturing process.

Protein structure modeling for CASP10 by multiple layers of global optimization.

PubMed

Joo, Keehyoung; Lee, Juyong; Sim, Sangjin; Lee, Sun Young; Lee, Kiho; Heo, Seungryong; Lee, In-Ho; Lee, Sung Jong; Lee, Jooyoung

2014-02-01

In the template-based modeling (TBM) category of CASP10 experiment, we introduced a new protocol called protein modeling system (PMS) to generate accurate protein structures in terms of side-chains as well as backbone trace. In the new protocol, a global optimization algorithm, called conformational space annealing (CSA), is applied to the three layers of TBM procedure: multiple sequence-structure alignment, 3D chain building, and side-chain re-modeling. For 3D chain building, we developed a new energy function which includes new distance restraint terms of Lorentzian type (derived from multiple templates), and new energy terms that combine (physical) energy terms such as dynamic fragment assembly (DFA) energy, DFIRE statistical potential energy, hydrogen bonding term, etc. These physical energy terms are expected to guide the structure modeling especially for loop regions where no template structures are available. In addition, we developed a new quality assessment method based on random forest machine learning algorithm to screen templates, multiple alignments, and final models. For TBM targets of CASP10, we find that, due to the combination of three stages of CSA global optimizations and quality assessment, the modeling accuracy of PMS improves at each additional stage of the protocol. It is especially noteworthy that the side-chains of the final PMS models are far more accurate than the models in the intermediate steps. Copyright © 2013 Wiley Periodicals, Inc.

Influence of Al³⁺ addition on the flocculation and sedimentation of activated sludge: comparison of single and multiple dosing patterns.

PubMed

Wen, Yue; Zheng, Wanlin; Yang, Yundi; Cao, Asheng; Zhou, Qi

2015-05-15

In this study, the flocculation and sedimentation performance of activated sludge (AS) with single and multiple dosing of trivalent aluminum (Al(3+)) were studied. The AS samples were cultivated in sequencing batch reactors at 22 °C. The dosages of Al(3+) were 0.00, 0.125, 0.5, 1.0, and 1.5 meq/L for single dosing, and 0.1 meq/L for multiple dosing. Under single dosing conditions, as Al(3+) dosage increased, the zeta potential, total interaction energy, and effluent turbidity decreased, whereas the sludge volume index (SVI) increased, indicating that single Al(3+) dosing could enhance sludge flocculation, but deteriorate sedimentation. By comparison, adding an equal amount of Al(3+) through multiple dosing achieved a similar reduction in turbidity, but the zeta potential was higher, while the loosely bound extracellular polymeric substances (LB-EPS) content and SVI remarkably declined. Although the difference in the flocculation performances between the two dosing patterns was not significant, the underlying mechanisms were quite distinct: the interaction energy played a more important role under single dosing conditions, whereas multiple dosing was more effective in reducing the EPS content. Multiple dosing, which allows sufficient time for sludge restructuring and floc aggregation, could simultaneously optimize sludge flocculation and sedimentation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Time for a revolution: smart energy and microgrid use in disaster response.

PubMed

Callaway, David Wayne; Noste, Erin; McCahill, Peter Woods; Rossman, A J; Lempereur, Dominique; Kaney, Kathleen; Swanson, Doug

2014-06-01

Modern health care and disaster response are inextricably linked to high volume, reliable, quality power. Disasters place major strain on energy infrastructure in affected communities. Advances in renewable energy and microgrid technology offer the potential to improve mobile disaster medical response capabilities. However, very little is known about the energy requirements of and alternative power sources in disaster response. A gap analysis of the energy components of modern disaster response reveals multiple deficiencies. The MED-1 Green Project has been executed as a multiphase project designed to identify energy utilization inefficiencies, decrease demands on diesel generators, and employ modern energy management strategies to expand operational independence. This approach, in turn, allows for longer deployments in potentially more austere environments and minimizes the unit's environmental footprint. The ultimate goal is to serve as a proof of concept for other mobile medical units to create strategies for energy independence.

Neural Network and Nearest Neighbor Algorithms for Enhancing Sampling of Molecular Dynamics.

PubMed

Galvelis, Raimondas; Sugita, Yuji

2017-06-13

The free energy calculations of complex chemical and biological systems with molecular dynamics (MD) are inefficient due to multiple local minima separated by high-energy barriers. The minima can be escaped using an enhanced sampling method such as metadynamics, which apply bias (i.e., importance sampling) along a set of collective variables (CV), but the maximum number of CVs (or dimensions) is severely limited. We propose a high-dimensional bias potential method (NN2B) based on two machine learning algorithms: the nearest neighbor density estimator (NNDE) and the artificial neural network (ANN) for the bias potential approximation. The bias potential is constructed iteratively from short biased MD simulations accounting for correlation among CVs. Our method is capable of achieving ergodic sampling and calculating free energy of polypeptides with up to 8-dimensional bias potential.

Quantitative operando visualization of the energy band depth profile in solar cells.

PubMed

Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei

2015-07-13

The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference.

Quantitative operando visualization of the energy band depth profile in solar cells

PubMed Central

Chen, Qi; Mao, Lin; Li, Yaowen; Kong, Tao; Wu, Na; Ma, Changqi; Bai, Sai; Jin, Yizheng; Wu, Dan; Lu, Wei; Wang, Bing; Chen, Liwei

2015-01-01

The energy band alignment in solar cell devices is critically important because it largely governs elementary photovoltaic processes, such as the generation, separation, transport, recombination and collection of charge carriers. Despite the expenditure of considerable effort, the measurement of energy band depth profiles across multiple layers has been extremely challenging, especially for operando devices. Here we present direct visualization of the surface potential depth profile over the cross-sections of operando organic photovoltaic devices using scanning Kelvin probe microscopy. The convolution effect due to finite tip size and cantilever beam crosstalk has previously prohibited quantitative interpretation of scanning Kelvin probe microscopy-measured surface potential depth profiles. We develop a bias voltage-compensation method to address this critical problem and obtain quantitatively accurate measurements of the open-circuit voltage, built-in potential and electrode potential difference. PMID:26166580

WindWaveFloat (WWF): Final Scientific Report

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

Alla Weinstein; Roddier, Dominique; Banister, Kevin

2012-03-30

Principle Power Inc. and National Renewable Energy Lab (NREL) have completed a contract to assess the technical and economic feasibility of integrating wave energy converters into the WindFloat, resulting in a new concept called the WindWaveFloat (WWF). The concentration of several devices on one platform could offer a potential for both economic and operational advantages. Wind and wave energy converters can share the electrical cable and power transfer equipment to transport the electricity to shore. Access to multiple generation devices could be simplified, resulting in cost saving at the operational level. Overall capital costs may also be reduced, provided thatmore » the design of the foundation can be adapted to multiple devices with minimum modifications. Finally, the WindWaveFloat confers the ability to increase energy production from individual floating support structures, potentially leading to a reduction in levelized energy costs, an increase in the overall capacity factor, and greater stability of the electrical power delivered to the grid. The research conducted under this grant investigated the integration of several wave energy device types into the WindFloat platform. Several of the resulting system designs demonstrated technical feasibility, but the size and design constraints of the wave energy converters (technical and economic) make the WindWaveFloat concept economically unfeasible at this time. Not enough additional generation could be produced to make the additional expense associated with wave energy conversion integration into the WindFloat worthwhile.« less

Upcrowding energy co-operatives - Evaluating the potential of crowdfunding for business model innovation of energy co-operatives.

PubMed

Dilger, Mathias Georg; Jovanović, Tanja; Voigt, Kai-Ingo

2017-08-01

Practice and theory have proven the relevance of energy co-operatives for civic participation in the energy turnaround. However, due to a still low awareness and changing regulation, there seems an unexploited potential of utilizing the legal form 'co-operative' in this context. The aim of this study is therefore to investigate the crowdfunding implementation in the business model of energy co-operatives in order to cope with the mentioned challenges. Based on a theoretical framework, we derive a Business Model Innovation (BMI) through crowdfunding including synergies and differences. A qualitative study design, particularly a multiple-case study of energy co-operatives, was chosen to prove the BMI and to reveal barriers. The results show that although most co-operatives are not familiar with crowdfunding, there is strong potential in opening up predominantly local structures to a broader group of members. Building on this, equity-based crowdfunding is revealed to be suitable for energy co-operatives as BMI and to accompany other challenges in the same way. Copyright © 2017 Elsevier Ltd. All rights reserved.

Stacking Multiple Ion Captures in The High Performance Antiproton Trap (HiPAT)

NASA Technical Reports Server (NTRS)

Martin, James J.; Lewis, Raymond A.; Sims, William H.; Chakrabarti, Suman; Pearson, Boise; Fant, Wallace E.

2004-01-01

The High performance Antiproton Trap (HiPAT) research project was initiated by the Marshall Space Flight Center's propulsion Research Center to examining the fundamental behavior of low energy antiprotons. Stored antiproton would ultimately be used for experimental demonstration of basic propulsive concepts. Matter-antimatter annihilation produces approximately 10(exp 8) MJ/g nearly 10 orders of magnitude more energy per unit mass than chemical based combustion, hence NASA's interest. To achieve containment, HiPAT utilizes a type of electromagnetic bottle know as a Penning trap positioned within an ultrahigh vacuum test section. Recently, the HiPAT hardware configuration has been enhanced to facilitate the capture of multiple normal matter ion burst. This endeavor is often referred to as "stacking" and used to increasing the number of captured particles. A prior normal matter experimental effort, successfully demonstrated the effectiveness of single burst capture. The stacking process is accomplished by manipulating the electric field generated by the confinement electrodes i.e. adjusting the well potential depth. These potential well values are initially configured to maximize the quantity of captured ions per burst; shallow wells with a depth of 100 volt or less (referenced to the incoming ion beam energy) are typically selected. Once captured, a cooling interval is required to reduce the energy of trapped particles below the lower extent of the "trap door" (or leading electrode) ion emitting potential. This is necessary such that a new burst of hot ions can be introduced while preventing those already inside from escaping. The cooling time is driven by a combination of mechanisms such as synchrotron radiation, background gas scattering, and resistive damping in a time scale on the order of minutes. A potential for reducing this hold period is to actively manipulate the electric field shape, using the power supply control system, to produce a deeper potential well. The trapped ions ride down the morphing well to a lower potential energy, leaving margin to once again cycle the "trap door" capturing a new burst while limiting the number of escaping ions. By adjusting the magnitude and timing of the potential well shaping, subsequent shots from the ion beam can be captured on a time scale shorter then that dictated by the standard inject, capture and cool technique. Currently, experimental tests are under way examining the functionally of this system for stacking multiple ions bursts within the HiPAT system.

Approximation of super-ions for single-file diffusion of multiple ions through narrow pores.

PubMed

Kharkyanen, Valery N; Yesylevskyy, Semen O; Berezetskaya, Natalia M

2010-11-01

The general theory of the single-file multiparticle diffusion in the narrow pores could be greatly simplified in the case of inverted bell-like shape of the single-particle energy profile, which is often observed in biological ion channels. There is a narrow and deep groove in the energy landscape of multiple interacting ions in such profiles, which corresponds to the pre-defined optimal conduction pathway in the configurational space. If such groove exists, the motion of multiple ions can be reduced to the motion of single quasiparticle, called the superion, which moves in one-dimensional effective potential. The concept of the superions dramatically reduces the computational complexity of the problem and provides very clear physical interpretation of conduction phenomena in the narrow pores.

Warm Body Temperature Facilitates Energy Efficient Cortical Action Potentials

PubMed Central

Yu, Yuguo; Hill, Adam P.; McCormick, David A.

2012-01-01

The energy efficiency of neural signal transmission is important not only as a limiting factor in brain architecture, but it also influences the interpretation of functional brain imaging signals. Action potential generation in mammalian, versus invertebrate, axons is remarkably energy efficient. Here we demonstrate that this increase in energy efficiency is due largely to a warmer body temperature. Increases in temperature result in an exponential increase in energy efficiency for single action potentials by increasing the rate of Na+ channel inactivation, resulting in a marked reduction in overlap of the inward Na+, and outward K+, currents and a shortening of action potential duration. This increase in single spike efficiency is, however, counterbalanced by a temperature-dependent decrease in the amplitude and duration of the spike afterhyperpolarization, resulting in a nonlinear increase in the spike firing rate, particularly at temperatures above approximately 35°C. Interestingly, the total energy cost, as measured by the multiplication of total Na+ entry per spike and average firing rate in response to a constant input, reaches a global minimum between 37–42°C. Our results indicate that increases in temperature result in an unexpected increase in energy efficiency, especially near normal body temperature, thus allowing the brain to utilize an energy efficient neural code. PMID:22511855

Terawatt-scale photovoltaics: Trajectories and challenges

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

Haegel, Nancy M.; Margolis, Robert; Buonassisi, Tonio

The annual potential of solar energy far exceeds the world's total energy consumption. However, the vision of photovoltaics (PVs) providing a substantial fraction of global electricity generation and total energy demand is far from being realized. What technical, infrastructure, economic, and policy barriers need to be overcome for PVs to grow to the multiple terawatt (TW) scale? Here, we assess realistic future scenarios and make suggestions for a global agenda to move toward PVs at a multi-TW scale.

Terawatt-scale photovoltaics: Trajectories and challenges

DOE PAGES

Haegel, Nancy M.; Margolis, Robert; Buonassisi, Tonio; ...

2017-04-13

The annual potential of solar energy far exceeds the world's total energy consumption. However, the vision of photovoltaics (PVs) providing a substantial fraction of global electricity generation and total energy demand is far from being realized. What technical, infrastructure, economic, and policy barriers need to be overcome for PVs to grow to the multiple terawatt (TW) scale? Here, we assess realistic future scenarios and make suggestions for a global agenda to move toward PVs at a multi-TW scale.

Energy efficiency to reduce residential electricity and natural gas use under climate change.

PubMed

Reyna, Janet L; Chester, Mikhail V

2017-05-15

Climate change could significantly affect consumer demand for energy in buildings, as changing temperatures may alter heating and cooling loads. Warming climates could also lead to the increased adoption and use of cooling technologies in buildings. We assess residential electricity and natural gas demand in Los Angeles, California under multiple climate change projections and investigate the potential for energy efficiency to offset increased demand. We calibrate residential energy use against metered data, accounting for differences in building materials and appliances. Under temperature increases, we find that without policy intervention, residential electricity demand could increase by as much as 41-87% between 2020 and 2060. However, aggressive policies aimed at upgrading heating/cooling systems and appliances could result in electricity use increases as low as 28%, potentially avoiding the installation of new generation capacity. We therefore recommend aggressive energy efficiency, in combination with low-carbon generation sources, to offset projected increases in residential energy demand.

Energy efficiency to reduce residential electricity and natural gas use under climate change

NASA Astrophysics Data System (ADS)

Reyna, Janet L.; Chester, Mikhail V.

2017-05-01

Climate change could significantly affect consumer demand for energy in buildings, as changing temperatures may alter heating and cooling loads. Warming climates could also lead to the increased adoption and use of cooling technologies in buildings. We assess residential electricity and natural gas demand in Los Angeles, California under multiple climate change projections and investigate the potential for energy efficiency to offset increased demand. We calibrate residential energy use against metered data, accounting for differences in building materials and appliances. Under temperature increases, we find that without policy intervention, residential electricity demand could increase by as much as 41-87% between 2020 and 2060. However, aggressive policies aimed at upgrading heating/cooling systems and appliances could result in electricity use increases as low as 28%, potentially avoiding the installation of new generation capacity. We therefore recommend aggressive energy efficiency, in combination with low-carbon generation sources, to offset projected increases in residential energy demand.

Core-softened potentials, multiple liquid-liquid critical points, and density anomaly regions: An exact solution

NASA Astrophysics Data System (ADS)

Rizzatti, Eduardo O.; Barbosa, Marco Aurélio A.; Barbosa, Marcia C.

2018-02-01

The pressure versus temperature phase diagram of a system of particles interacting through a multiscale shoulder-like potential is exactly computed in one dimension. The N-shoulder potential exhibits N density anomaly regions in the phase diagram if the length scales can be connected by a convex curve. The result is analyzed in terms of the convexity of the Gibbs free energy.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

NASA Astrophysics Data System (ADS)

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; Stocks, G. Malcolm

2018-03-01

The Green function plays an essential role in the Korringa-Kohn-Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). The pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. By using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

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

Liu, Xianglin; Wang, Yang; Eisenbach, Markus

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

Fully-relativistic full-potential multiple scattering theory: A pathology-free scheme

DOE PAGES

Liu, Xianglin; Wang, Yang; Eisenbach, Markus; ...

2017-10-28

The Green function plays an essential role in the Korringa–Kohn–Rostoker(KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn–Sham equation and robust methods exist for spherical potentials. However, when applied to a non-spherical potential, numerical errors from the irregular solutions give rise to pathological behaviors of the charge density at small radius. Here we present a full-potential implementation of the fully-relativistic KKR method to perform ab initio self-consistent calculation by directly solving the Dirac differential equations using the generalized variable phase (sine and cosine matrices) formalism Liu et al. (2016). Themore » pathology around the origin is completely eliminated by carrying out the energy integration of the single-site Green function along the real axis. Here, by using an efficient pole-searching technique to identify the zeros of the well-behaved Jost matrices, we demonstrated that this scheme is numerically stable and computationally efficient, with speed comparable to the conventional contour energy integration method, while free of the pathology problem of the charge density. As an application, this method is utilized to investigate the crystal structures of polonium and their bulk properties, which is challenging for a conventional real-energy scheme. The noble metals are also calculated, both as a test of our method and to study the relativistic effects.« less

An Inner Membrane Cytochrome Required Only for Reduction of High Redox Potential Extracellular Electron Acceptors

PubMed Central

Levar, Caleb E.; Chan, Chi Ho; Mehta-Kolte, Misha G.

2014-01-01

ABSTRACT Dissimilatory metal-reducing bacteria, such as Geobacter sulfurreducens, transfer electrons beyond their outer membranes to Fe(III) and Mn(IV) oxides, heavy metals, and electrodes in electrochemical devices. In the environment, metal acceptors exist in multiple chelated and insoluble forms that span a range of redox potentials and offer different amounts of available energy. Despite this, metal-reducing bacteria have not been shown to alter their electron transfer strategies to take advantage of these energy differences. Disruption of imcH, encoding an inner membrane c-type cytochrome, eliminated the ability of G. sulfurreducens to reduce Fe(III) citrate, Fe(III)-EDTA, and insoluble Mn(IV) oxides, electron acceptors with potentials greater than 0.1 V versus the standard hydrogen electrode (SHE), but the imcH mutant retained the ability to reduce Fe(III) oxides with potentials of ≤−0.1 V versus SHE. The imcH mutant failed to grow on electrodes poised at +0.24 V versus SHE, but switching electrodes to −0.1 V versus SHE triggered exponential growth. At potentials of ≤−0.1 V versus SHE, both the wild type and the imcH mutant doubled 60% slower than at higher potentials. Electrodes poised even 100 mV higher (0.0 V versus SHE) could not trigger imcH mutant growth. These results demonstrate that G. sulfurreducens possesses multiple respiratory pathways, that some of these pathways are in operation only after exposure to low redox potentials, and that electron flow can be coupled to generation of different amounts of energy for growth. The redox potentials that trigger these behaviors mirror those of metal acceptors common in subsurface environments where Geobacter is found. PMID:25425235

AMPK at the Nexus of Energetics and Aging

PubMed Central

Burkewitz, Kristopher; Zhang, Yue; Mair, William B.

2014-01-01

When energy supply is low, organisms respond by slowing aging and increasing resistance to diverse age-related pathologies. Targeting the mechanisms underpinning this response may therefore treat multiple disorders through a single intervention. Here we discuss AMP-activated protein kinase (AMPK) as an integrator and mediator of several pathways and processes linking energetics to longevity. Activated by low energy, AMPK is both pro-longevity and druggable, but its role in some pathologies may not be beneficial. As such, activating AMPK may modulate multiple longevity pathways to promote healthy aging, but unlocking its full potential may require selective targeting towards substrates involved in longevity-assurance. PMID:24726383

Thermo-elasto-plastic simulations of femtosecond laser-induced multiple-cavity in fused silica

NASA Astrophysics Data System (ADS)

Beuton, R.; Chimier, B.; Breil, J.; Hébert, D.; Mishchik, K.; Lopez, J.; Maire, P. H.; Duchateau, G.

2018-04-01

The formation and the interaction of multiple cavities, induced by tightly focused femtosecond laser pulses, are studied using a developed numerical tool, including the thermo-elasto-plastic material response. Simulations are performed in fused silica in cases of one, two, and four spots of laser energy deposition. The relaxation of the heated matter, launching shock waves in the surrounding cold material, leads to cavity formation and emergence of areas where cracks may be induced. Results show that the laser-induced structure shape depends on the energy deposition configuration and demonstrate the potential of the used numerical tool to obtain the desired designed structure or technological process.

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.

Probing midrapidity source characteristics with charged particles and neutrons in the 35Cl+natTa reaction at 43 MeV/nucleon

NASA Astrophysics Data System (ADS)

Larochelle, Y.; St-Pierre, C.; Beaulieu, L.; Colonna, N.; Gingras, L.; Ball, G. C.; Bowman, D. R.; Colonna, M.; D'erasmo, G.; Fiore, E.; Fox, D.; Galindo-Uribarri, A.; Hagberg, E.; Horn, D.; Laforest, R.; Pantaleo, A.; Roy, R.; Tagliente, G.

1999-02-01

The characteristics of the midrapidity and target sources (apparent temperatures, velocities, and neutron multiplicities) extracted from the neutron energy spectra, have been measured for various quasiprojectile (QP) excitation energies, reconstructed from charged particles of well defined peripheral events in the 35Cl+natTa reaction at 43 MeV/nucleon. The reconstructed excitation energy of the QP is always smaller than the excitation energy calculated from its velocity, assuming pure dissipative binary collision. The latter observation combined with the neutron multiplicity at midrapidity and the apparent temperature suggests important preequilibrium and/or dynamical effects in the entrance channel. The midrapidity source moves at a velocity lower than the nucleon-nucleon center of mass velocity showing the importance of the attractive mean-field potential from the target even at 43 MeV/nucleon. The above picture is confirmed by comparison to Boltzman-Nordheim-Vlasov (BNV) simulations.

Passive band-gap reconfiguration born from bifurcation asymmetry.

PubMed

Bernard, Brian P; Mann, Brian P

2013-11-01

Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.

The free energy of a reaction coordinate at multiple constraints: a concise formulation

NASA Astrophysics Data System (ADS)

Schlitter, Jürgen; Klähn, Marco

The free energy as a function of the reaction coordinate (rc) is the key quantity for the computation of equilibrium and kinetic quantities. When it is considered as the potential of mean force, the problem is the calculation of the mean force for given values of the rc. We reinvestigate the PMCF (potential of mean constraint force) method which applies a constraint to the rc to compute the mean force as the mean negative constraint force and a metric tensor correction. The latter allows for the constraint imposed to the rc and possible artefacts due to multiple constraints of other variables which for practical reasons are often used in numerical simulations. Two main results are obtained that are of theoretical and practical interest. First, the correction term is given a very concise and simple shape which facilitates its interpretation and evaluation. Secondly, a theorem describes various rcs and possible combinations with constraints that can be used without introducing any correction to the constraint force. The results facilitate the computation of free energy by molecular dynamics simulations.

Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore

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

Park, Jae Woo; Rhee, Young Min, E-mail: ymrhee@postech.ac.kr; Department of Chemistry, Pohang University of Science and Technology

2014-04-28

Simulating molecular dynamics directly on quantum chemically obtained potential energy surfaces is generally time consuming. The cost becomes overwhelming especially when excited state dynamics is aimed with multiple electronic states. The interpolated potential has been suggested as a remedy for the cost issue in various simulation settings ranging from fast gas phase reactions of small molecules to relatively slow condensed phase dynamics with complex surrounding. Here, we present a scheme for interpolating multiple electronic surfaces of a relatively large molecule, with an intention of applying it to studying nonadiabatic behaviors. The scheme starts with adiabatic potential information and its diabaticmore » transformation, both of which can be readily obtained, in principle, with quantum chemical calculations. The adiabatic energies and their derivatives on each interpolation center are combined with the derivative coupling vectors to generate the corresponding diabatic Hamiltonian and its derivatives, and they are subsequently adopted in producing a globally defined diabatic Hamiltonian function. As a demonstration, we employ the scheme to build an interpolated Hamiltonian of a relatively large chromophore, para-hydroxybenzylidene imidazolinone, in reference to its all-atom analytical surface model. We show that the interpolation is indeed reliable enough to reproduce important features of the reference surface model, such as its adiabatic energies and derivative couplings. In addition, nonadiabatic surface hopping simulations with interpolation yield population transfer dynamics that is well in accord with the result generated with the reference analytic surface. With these, we conclude by suggesting that the interpolation of diabatic Hamiltonians will be applicable for studying nonadiabatic behaviors of sizeable molecules.« less

Study of flywheel energy storage for space stations

NASA Technical Reports Server (NTRS)

Gross, S.

1984-01-01

The potential of flywheel systems for space stations using the Space Operations Center (SOC) as a point of reference is discussed. Comparisons with batteries and regenerative fuel cells are made. In the flywheel energy storage concept, energy is stored in the form of rotational kinetic energy using a spinning wheel. Energy is extracted from the flywheel using an attached electrical generator; energy is provided to spin the flywheel by a motor, which operates during sunlight using solar array power. The motor and the generator may or may not be the same device. Flywheel energy storage systems have a very good potential for use in space stations. This system can be superior to alkaline secondary batteries and regenerable fuel cells in most of the areas that are important in spacecraft applications. Of special impotance relative to batteries, are high energy density (lighter weight), longer cycle and operating life, and high efficiency which minimizes the amount of orbital makeup fuel required. In addition, flywheel systems have a long shelf life, give a precise state of charge indication, have modest thermal control needs, are capable of multiple discharges per orbit, have simple ground handling needs, and have the potential for very high discharge rate. Major disadvantages are noted.

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

Zhou Juefei; Szafruga, Urszula B.; Kuzyk, Mark G.

We use numerical optimization to study the properties of (1) the class of one-dimensional potential energy functions and (2) systems of point nuclei in two dimensions that yield the largest intrinsic hyperpolarizabilities, which we find to be within 30% of the fundamental limit. In all cases, we use a one-electron model. It is found that a broad range of optimized potentials, each of very different character, yield the same intrinsic hyperpolarizability ceiling of 0.709. Furthermore, all optimized potential energy functions share common features such as (1) the value of the normalized transition dipole moment to the dominant state, which forcesmore » the hyperpolarizability to be dominated by only two excited states and (2) the energy ratio between the two dominant states. All optimized potentials are found to obey the three-level ansatz to within about 1%. Many of these potential energy functions may be implementable in multiple quantum well structures. The subset of potentials with undulations reaffirm that modulation of conjugation may be an approach for making better organic molecules, though there appear to be many others. Additionally, our results suggest that one-dimensional molecules may have larger diagonal intrinsic hyperpolarizability {beta}{sub xxx}{sup int} than higher-dimensional systems.« less

The Europa Mission: Multiple Europa Flyby Trajectory Design Trades and Challenges

NASA Technical Reports Server (NTRS)

Lam, Try; Arrieta-Camacho, Juan J.; Buffington, Brent B.

2015-01-01

With potential sources of water, energy and other chemicals essential for life, Europa is a top candidate for finding current life in our Solar System outside of Earth. This paper describes the current trajectory design concept for a multiple Europa flyby mission and discusses several trajectory design challenges. The candidate reference trajectory utilizes multiple Europa flybys while around Jupiter to enable near global coverage of Europa while balancing science requirements, radiation dose, propellant usage, and flight time. Trajectory design trades and robustness are also discussed.

An integrate-over-temperature approach for enhanced sampling.

PubMed

Gao, Yi Qin

2008-02-14

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

An inner membrane cytochrome required only for reduction of high redox potential extracellular electron acceptors

DOE PAGES

Levar, Caleb E.; Chan, Chi Ho; Mehta-Kolte, Misha G.; ...

2014-10-28

Dissimilatory metal-reducing bacteria, such as Geobacter sulfurreducens, transfer electrons beyond their outer membranes to Fe(III) and Mn(IV) oxides, heavy metals, and electrodes in electrochemical devices. In the environment, metal acceptors exist in multiple chelated and insoluble forms that span a range of redox potentials and offer different amounts of available energy. Despite this, metal-reducing bacteria have not been shown to alter their electron transfer strategies to take advantage of these energy differences. Disruption of imcH, encoding an inner membrane c-type cytochrome, eliminated the ability of G. sulfurreducens to reduce Fe(III) citrate, Fe(III)-EDTA, and insoluble Mn(IV) oxides, electron acceptors with potentialsmore » greater than 0.1 V versus the standard hydrogen electrode (SHE), but the imcH mutant retained the ability to reduce Fe(III) oxides with potentials of ≤–0.1 V versus SHE. The imcH mutant failed to grow on electrodes poised at +0.24 V versus SHE, but switching electrodes to –0.1 V versus SHE triggered exponential growth. At potentials of ≤–0.1 V versus SHE, both the wild type and the imcH mutant doubled 60% slower than at higher potentials. Electrodes poised even 100 mV higher (0.0 V versus SHE) could not trigger imcH mutant growth. These results demonstrate that G. sulfurreducens possesses multiple respiratory pathways, that some of these pathways are in operation only after exposure to low redox potentials, and that electron flow can be coupled to generation of different amounts of energy for growth. Redox potentials that trigger these behaviors mirror those of metal acceptors common in subsurface environments where Geobacter is found.« less

Multiple Exciton Generation in Colloidal Nanocrystals

PubMed Central

Smith, Charles; Binks, David

2013-01-01

In a conventional solar cell, the energy of an absorbed photon in excess of the band gap is rapidly lost as heat, and this is one of the main reasons that the theoretical efficiency is limited to ~33%. However, an alternative process, multiple exciton generation (MEG), can occur in colloidal quantum dots. Here, some or all of the excess energy is instead used to promote one or more additional electrons to the conduction band, potentially increasing the photocurrent of a solar cell and thereby its output efficiency. This review will describe the development of this field over the decade since the first experimental demonstration of multiple exciton generation, including the controversies over experimental artefacts, comparison with similar effects in bulk materials, and the underlying mechanisms. We will also describe the current state-of-the-art and outline promising directions for further development. PMID:28348283

Transportation Energy Futures: Combining Strategies for Deep Reductions in Energy Consumption and GHG Emissions (Brochure)

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

Not Available

2013-03-01

This fact sheet summarizes actions in the areas of light-duty vehicle, non-light-duty vehicle, fuel, and transportation demand that show promise for deep reductions in energy use. Energy efficient transportation strategies have the potential to simultaneously reduce oil consumption and greenhouse gas (GHG) emissions. The Transportation Energy Futures (TEF) project examined how the combination of multiple strategies could achieve deep reductions in GHG emissions and petroleum use on the order of 80%. Led by NREL, in collaboration with Argonne National Laboratory, the project's primary goal was to help inform domestic decisions about transportation energy strategies, priorities, and investments, with an emphasismore » on underexplored opportunities. TEF findings reveal three strategies with the potential to displace most transportation-related petroleum use and GHG emissions: 1) Stabilizing energy use in the transportation sector through efficiency and demand-side approaches. 2) Using additional advanced biofuels. 3) Expanding electric drivetrain technologies.« less

Atomistic potentials based energy flux integral criterion for dynamic adiabatic shear banding

NASA Astrophysics Data System (ADS)

Xu, Yun; Chen, Jun

2015-02-01

The energy flux integral criterion based on atomistic potentials within the framework of hyperelasticity-plasticity is proposed for dynamic adiabatic shear banding (ASB). System Helmholtz energy decomposition reveals that the dynamic influence on the integral path dependence is originated from the volumetric strain energy and partial deviatoric strain energy, and the plastic influence only from the rest part of deviatoric strain energy. The concept of critical shear banding energy is suggested for describing the initiation of ASB, which consists of the dynamic recrystallization (DRX) threshold energy and the thermal softening energy. The criterion directly relates energy flux to the basic physical processes that induce shear instability such as dislocation nucleations and multiplications, without introducing ad-hoc parameters in empirical constitutive models. It reduces to the classical path independent J-integral for quasi-static loading and elastic solids. The atomistic-to-continuum multiscale coupling method is used to simulate the initiation of ASB. Atomic configurations indicate that DRX induced microstructural softening may be essential to the dynamic shear localization and hence the initiation of ASB.

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Möller, Peter; Talou, Patrick; Sierk, Arnold J.

2018-03-01

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U(nth,f ) and 239Pu(nth,f ) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ -ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicity ν ¯ and the average heavy-fragment mass 〈Ah〉 of the input mass yields ∂ ν ¯/∂ 〈Ah〉 =±0.1 (n /f ) /u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, ν¯T(TKE ) . Typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ ν ¯=4 % for the average prompt neutron multiplicity, δ M ¯γ=1 % for the average prompt γ -ray multiplicity, δ ɛ¯nLAB=1 % for the average outgoing neutron energy, δ ɛ¯γ=1 % for the average γ -ray energy, and δ 〈TKE 〉=0.4 % for the average total kinetic energy of the fission fragments.

Estimating the potential for industrial waste heat reutilization in urban district energy systems: method development and implementation in two Chinese provinces

NASA Astrophysics Data System (ADS)

Tong, Kangkang; Fang, Andrew; Yu, Huajun; Li, Yang; Shi, Lei; Wang, Yangjun; Wang, Shuxiao; Ramaswami, Anu

2017-12-01

Utilizing low-grade waste heat from industries to heat and cool homes and businesses through fourth generation district energy systems (DES) is a novel strategy to reduce energy use. This paper develops a generalizable methodology to estimate the energy saving potential for heating/cooling in 20 cities in two Chinese provinces, representing cold winter and hot summer regions respectively. We also conduct a life-cycle analysis of the new infrastructure required for energy exchange in DES. Results show that heating and cooling energy use reduction from this waste heat exchange strategy varies widely based on the mix of industrial, residential and commercial activities, and climate conditions in cities. Low-grade heat is found to be the dominant component of waste heat released by industries, which can be reused for both district heating and cooling in fourth generation DES, yielding energy use reductions from 12%-91% (average of 58%) for heating and 24%-100% (average of 73%) for cooling energy use in the different cities based on annual exchange potential. Incorporating seasonality and multiple energy exchange pathways resulted in energy savings reductions from 0%-87%. The life-cycle impact of added infrastructure was small (<3% for heating) and 1.9% ~ 6.5% (cooling) of the carbon emissions from fuel use in current heating or cooling systems, indicating net carbon savings. This generalizable approach to delineate waste heat potential can help determine suitable cities for the widespread application of industrial waste heat re-utilization.

Multiple mobility edges in a 1D Aubry chain with Hubbard interaction in presence of electric field: Controlled electron transport

NASA Astrophysics Data System (ADS)

Saha, Srilekha; Maiti, Santanu K.; Karmakar, S. N.

2016-09-01

Electronic behavior of a 1D Aubry chain with Hubbard interaction is critically analyzed in presence of electric field. Multiple energy bands are generated as a result of Hubbard correlation and Aubry potential, and, within these bands localized states are developed under the application of electric field. Within a tight-binding framework we compute electronic transmission probability and average density of states using Green's function approach where the interaction parameter is treated under Hartree-Fock mean field scheme. From our analysis we find that selective transmission can be obtained by tuning injecting electron energy, and thus, the present model can be utilized as a controlled switching device.

Bioactive focus in conformational ensembles: a pluralistic approach

NASA Astrophysics Data System (ADS)

Habgood, Matthew

2017-12-01

Computational generation of conformational ensembles is key to contemporary drug design. Selecting the members of the ensemble that will approximate the conformation most likely to bind to a desired target (the bioactive conformation) is difficult, given that the potential energy usually used to generate and rank the ensemble is a notoriously poor discriminator between bioactive and non-bioactive conformations. In this study an approach to generating a focused ensemble is proposed in which each conformation is assigned multiple rankings based not just on potential energy but also on solvation energy, hydrophobic or hydrophilic interaction energy, radius of gyration, and on a statistical potential derived from Cambridge Structural Database data. The best ranked structures derived from each system are then assembled into a new ensemble that is shown to be better focused on bioactive conformations. This pluralistic approach is tested on ensembles generated by the Molecular Operating Environment's Low Mode Molecular Dynamics module, and by the Cambridge Crystallographic Data Centre's conformation generator software.

Thermopower Wave-Driven Hybrid Supercapacitor Charging System.

PubMed

Shin, Dongjoon; Hwang, Hayoung; Yeo, Taehan; Seo, Byungseok; Choi, Wonjoon

2016-11-16

The development of new energy sources and harvesting methods has increased with the rapid development of multiscale wireless and portable systems. A thermopower wave (TW) is a potential portable energy source that exhibits a high power density. TWs generate electrical energy via the transport of charges inside micro- or nanostructured materials. This transport is induced by self-propagating combustion. Despite the high specific power of TWs, the generation of energy by TWs is transient, making a TW device a one-time use source, which is a critical limitation on the further advancement of this technology. Herein, we first report the development of a hybrid supercapacitor charging system driven by consecutive TWs to accumulate multiple amounts of energy generated by the repetitive combustion of the chemical fuel. In this study, hybrid layers composed of a supercapacitor (poly(vinyl alcohol)/MnO 2 /nickel) and solid fuel layer (nitrocellulose film) were fabricated as one integrated platform. Combustion was initiated by the ignition of the fuel layer, resulting in the production of electrical energy, attributed to the potential difference between two electrodes, and the transport of charges inside one of the electrodes. Electrical energy could simultaneously and directly charge the supercapacitor, and the discharged voltage could be significantly increased in comparison with the voltage level before the application of a TW. Furthermore, the application of multiple TWs in succession in the hybrid supercapacitor charging system successfully allowed for stack voltage amplification, which was synchronized to each TW. The results of this study could be used to understand the underlying phenomena for charging supercapacitors with the variation of thermal energy and to advance the application of TWs as more efficient, practical energy sources.

Chameleon fragmentation

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

Brax, Philippe; Upadhye, Amol, E-mail: philippe.brax@cea.fr, E-mail: aupadhye@anl.gov

2014-02-01

A scalar field dark energy candidate could couple to ordinary matter and photons, enabling its detection in laboratory experiments. Here we study the quantum properties of the chameleon field, one such dark energy candidate, in an ''afterglow'' experiment designed to produce, trap, and detect chameleon particles. In particular, we investigate the possible fragmentation of a beam of chameleon particles into multiple particle states due to the highly non-linear interaction terms in the chameleon Lagrangian. Fragmentation could weaken the constraints of an afterglow experiment by reducing the energy of the regenerated photons, but this energy reduction also provides a unique signaturemore » which could be detected by a properly-designed experiment. We show that constraints from the CHASE experiment are essentially unaffected by fragmentation for φ{sup 4} and 1/φ potentials, but are weakened for steeper potentials, and we discuss possible future afterglow experiments.« less

Wind Resource Assessment Report: Mille Lacs Indian Reservation, Minnesota

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

Jimenez, Antonio C.; Robichaud, Robi

The U.S. Environmental Protection Agency (EPA) launched the RE-Powering America's Land initiative to encourage development of renewable energy on potentially contaminated land and mine sites. EPA collaborated with the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) and the Mille Lacs Band of Chippewa Indians to evaluate the wind resource and examine the feasibility of a wind project at a contaminated site located on the Mille Lacs Indian Reservation in Minnesota. The wind monitoring effort involved the installation of a 60-m met tower and the collection of 18 months of wind data at multiple heights above the ground.more » This report focuses on the wind resource assessment, the estimated energy production of wind turbines, and an assessment of the economic feasibility of a potential wind project sited this site.« less

Rapid Multi-Damage Identification for Health Monitoring of Laminated Composites Using Piezoelectric Wafer Sensor Arrays

PubMed Central

Si, Liang; Wang, Qian

2016-01-01

Through the use of the wave reflection from any damage in a structure, a Hilbert spectral analysis-based rapid multi-damage identification (HSA-RMDI) technique with piezoelectric wafer sensor arrays (PWSA) is developed to monitor and identify the presence, location and severity of damage in carbon fiber composite structures. The capability of the rapid multi-damage identification technique to extract and estimate hidden significant information from the collected data and to provide a high-resolution energy-time spectrum can be employed to successfully interpret the Lamb waves interactions with single/multiple damage. Nevertheless, to accomplish the precise positioning and effective quantification of multiple damage in a composite structure, two functional metrics from the RMDI technique are proposed and used in damage identification, which are the energy density metric and the energy time-phase shift metric. In the designed damage experimental tests, invisible damage to the naked eyes, especially delaminations, were detected in the leftward propagating waves as well as in the selected sensor responses, where the time-phase shift spectra could locate the multiple damage whereas the energy density spectra were used to quantify the multiple damage. The increasing damage was shown to follow a linear trend calculated by the RMDI technique. All damage cases considered showed completely the developed RMDI technique potential as an effective online damage inspection and assessment tool. PMID:27153070

The Potential and Flux Landscape Theory of Ecology

PubMed Central

Zhang, Kun; Wang, Erkang; Wang, Jin

2014-01-01

The species in ecosystems are mutually interacting and self sustainable stable for a certain period. Stability and dynamics are crucial for understanding the structure and the function of ecosystems. We developed a potential and flux landscape theory of ecosystems to address these issues. We show that the driving force of the ecological dynamics can be decomposed to the gradient of the potential landscape and the curl probability flux measuring the degree of the breaking down of the detailed balance (due to in or out flow of the energy to the ecosystems). We found that the underlying intrinsic potential landscape is a global Lyapunov function monotonically going down in time and the topology of the landscape provides a quantitative measure for the global stability of the ecosystems. We also quantified the intrinsic energy, the entropy, the free energy and constructed the non-equilibrium thermodynamics for the ecosystems. We studied several typical and important ecological systems: the predation, competition, mutualism and a realistic lynx-snowshoe hare model. Single attractor, multiple attractors and limit cycle attractors emerge from these studies. We studied the stability and robustness of the ecosystems against the perturbations in parameters and the environmental fluctuations. We also found that the kinetic paths between the multiple attractors do not follow the gradient paths of the underlying landscape and are irreversible because of the non-zero flux. This theory provides a novel way for exploring the global stability, function and the robustness of ecosystems. PMID:24497975

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

DOE PAGES

Osborn, David L.

2017-03-15

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential andmore » well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.« less

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

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

Osborn, David L.

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential andmore » well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.« less

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.

Mapping of wind energy potential over the Gobi Desert in Northwest China based on multiple sources of data

NASA Astrophysics Data System (ADS)

Li, Li; Wang, Xinyuan; Luo, Lei; Zhao, Yanchuang; Zong, Xin; Bachagha, Nabil

2018-06-01

In recent years, wind energy has been a fastgrowing alternative source of electrical power due to its sustainability. In this paper, the wind energy potential over the Gobi Desert in Northwest China is assessed at the patch scale using geographic information systems (GIS). Data on land cover, topography, and administrative boundaries and 11 years (2000‒2010) of wind speed measurements were collected and used to map and estimate the region's wind energy potential. Based on the results, it was found that continuous regions of geographical potential (GeoP) are located in the middle of the research area (RA), with scattered areas of similar GeoP found in other regions. The results also show that the technical potential (TecP) levels are about 1.72‒2.67 times (2.20 times on average) higher than the actual levels. It was found that the GeoP patches can be divided into four classes: unsuitable regions, suitable regions, more suitable regions, and the most suitable regions. The GeoP estimation shows that 0.41 billion kW of wind energy are potentially available in the RA. The suitable regions account for 25.49%, the more suitable regions 24.45%, and the most suitable regions for more than half of the RA. It is also shown that Xinjiang and Gansu are more suitable for wind power development than Ningxia.

deltaGseg: macrostate estimation via molecular dynamics simulations and multiscale time series analysis.

PubMed

Low, Diana H P; Motakis, Efthymios

2013-10-01

Binding free energy calculations obtained through molecular dynamics simulations reflect intermolecular interaction states through a series of independent snapshots. Typically, the free energies of multiple simulated series (each with slightly different starting conditions) need to be estimated. Previous approaches carry out this task by moving averages at certain decorrelation times, assuming that the system comes from a single conformation description of binding events. Here, we discuss a more general approach that uses statistical modeling, wavelets denoising and hierarchical clustering to estimate the significance of multiple statistically distinct subpopulations, reflecting potential macrostates of the system. We present the deltaGseg R package that performs macrostate estimation from multiple replicated series and allows molecular biologists/chemists to gain physical insight into the molecular details that are not easily accessible by experimental techniques. deltaGseg is a Bioconductor R package available at http://bioconductor.org/packages/release/bioc/html/deltaGseg.html.

Energy efficiency to reduce residential electricity and natural gas use under climate change

PubMed Central

Reyna, Janet L.; Chester, Mikhail V.

2017-01-01

Climate change could significantly affect consumer demand for energy in buildings, as changing temperatures may alter heating and cooling loads. Warming climates could also lead to the increased adoption and use of cooling technologies in buildings. We assess residential electricity and natural gas demand in Los Angeles, California under multiple climate change projections and investigate the potential for energy efficiency to offset increased demand. We calibrate residential energy use against metered data, accounting for differences in building materials and appliances. Under temperature increases, we find that without policy intervention, residential electricity demand could increase by as much as 41–87% between 2020 and 2060. However, aggressive policies aimed at upgrading heating/cooling systems and appliances could result in electricity use increases as low as 28%, potentially avoiding the installation of new generation capacity. We therefore recommend aggressive energy efficiency, in combination with low-carbon generation sources, to offset projected increases in residential energy demand. PMID:28504255

Comparison study for multiple ionization of carbonyl sulfide by linearly and circularly polarized intense femtosecond laser fields using Coulomb explosion imaging

NASA Astrophysics Data System (ADS)

Ma, Pan; Wang, Chuncheng; Luo, Sizuo; Yu, Xitao; Li, Xiaokai; Wang, Zhenzhen; Hu, Wenhui; Yu, Jiaqi; Yang, Yizhang; Tian, Xu; Cui, Zhonghua; Ding, Dajun

2018-05-01

We studied the relative yields and dissociation dynamics for two- and three-body Coulomb explosion (CE) channels from highly charged carbonyl sulfide molecules in intense laser fields using the CE imaging technique. The electron recollision contributions are evaluated by comparing the relative yields for the multiple ionization process in linearly polarized and circularly polarized (LP and CP) laser fields. The nonsequential multiple ionization is only confirmed for the charge states of 2 to 4 because the energy for further ionization from the inner orbital is much larger than the maximum recollision energy, 3.2U p . The novel deviations of kinetic energy releases distributions between LP and CP pulses are observed for the charge states higher than 4. It can be attributed to the stronger molecular bending in highly charged states before three-body CE with CP light, in which the bending wave packet is initialed by the triple or quartic ionization and spread along their potential curves. Compared to LP light, CP light ionizes a larger fraction of bending molecules in the polarization plane.

Geothermal Impact Analysis | Geothermal Technologies | NREL

Science.gov Websites

on potential geothermal growth scenarios, jobs and economic impacts, clean energy manufacturing geothermal resources. We: Perform resource analysis Develop techno-economic models Quantify environmental growth scenarios across multiple market sectors. Learn more about the GeoVision Study. Jobs and Economic

Global Existence Results for Viscoplasticity at Finite Strain

NASA Astrophysics Data System (ADS)

Mielke, Alexander; Rossi, Riccarda; Savaré, Giuseppe

2018-01-01

We study a model for rate-dependent gradient plasticity at finite strain based on the multiplicative decomposition of the strain tensor, and investigate the existence of global-in-time solutions to the related PDE system. We reveal its underlying structure as a generalized gradient system, where the driving energy functional is highly nonconvex and features the geometric nonlinearities related to finite-strain elasticity as well as the multiplicative decomposition of finite-strain plasticity. Moreover, the dissipation potential depends on the left-invariant plastic rate, and thus depends on the plastic state variable. The existence theory is developed for a class of abstract, nonsmooth, and nonconvex gradient systems, for which we introduce suitable notions of solutions, namely energy-dissipation-balance and energy-dissipation-inequality solutions. Hence, we resort to the toolbox of the direct method of the calculus of variations to check that the specific energy and dissipation functionals for our viscoplastic models comply with the conditions of the general theory.

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

PubMed

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

2017-09-30

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

Probing Carbohydrate Product Expulsion from a Processive Cellulase with Multiple Absolute Binding Free Energy Methods*

PubMed Central

Bu, Lintao; Beckham, Gregg T.; Shirts, Michael R.; Nimlos, Mark R.; Adney, William S.; Himmel, Michael E.; Crowley, Michael F.

2011-01-01

Understanding the enzymatic mechanism that cellulases employ to degrade cellulose is critical to efforts to efficiently utilize plant biomass as a sustainable energy resource. A key component of cellulase action on cellulose is product inhibition from monosaccharide and disaccharides in the product site of cellulase tunnel. The absolute binding free energy of cellobiose and glucose to the product site of the catalytic tunnel of the Family 7 cellobiohydrolase (Cel7A) of Trichoderma reesei (Hypocrea jecorina) was calculated using two different approaches: steered molecular dynamics (SMD) simulations and alchemical free energy perturbation molecular dynamics (FEP/MD) simulations. For the SMD approach, three methods based on Jarzynski's equality were used to construct the potential of mean force from multiple pulling trajectories. The calculated binding free energies, −14.4 kcal/mol using SMD and −11.2 kcal/mol using FEP/MD, are in good qualitative agreement. Analysis of the SMD pulling trajectories suggests that several protein residues (Arg-251, Asp-259, Asp-262, Trp-376, and Tyr-381) play key roles in cellobiose and glucose binding to the catalytic tunnel. Five mutations (R251A, D259A, D262A, W376A, and Y381A) were made computationally to measure the changes in free energy during the product expulsion process. The absolute binding free energies of cellobiose to the catalytic tunnel of these five mutants are −13.1, −6.0, −11.5, −7.5, and −8.8 kcal/mol, respectively. The results demonstrated that all of the mutants tested can lower the binding free energy of cellobiose, which provides potential applications in engineering the enzyme to accelerate the product expulsion process and improve the efficiency of biomass conversion. PMID:21454590

Stochastic treatment of electron multiplication without scattering in dielectrics

NASA Technical Reports Server (NTRS)

Lin, D. L.; Beers, B. L.

1981-01-01

By treating the emission of optical phonons as a Markov process, a simple analytic method is developed for calculating the electronic ionization rate per unit length for dielectrics. The effects of scattering from acoustic and optical phonons are neglected. The treatment obtains universal functions in recursive form, the theory depending on only two dimensionless energy ratios. A comparison of the present work with other numerical approaches indicates that the effect of scattering becomes important only when the electric potential energy drop in a mean free path for optical-phonon emission is less than about 25% of the ionization potential. A comparison with Monte Carlo results is also given for Teflon.

Multiple exciton generation for photoelectrochemical hydrogen evolution reactions with quantum yields exceeding 100%

DOE PAGES

Yan, Yong; Crisp, Ryan W.; Gu, Jing; ...

2017-04-03

Multiple exciton generation (MEG) in quantum dots (QDs) has the potential to greatly increase the power conversion efficiency in solar cells and in solar-fuel production. During the MEG process, two electron-hole pairs (excitons) are created from the absorption of one high-energy photon, bypassing hot-carrier cooling via phonon emission. Here we demonstrate that extra carriers produced via MEG can be used to drive a chemical reaction with quantum efficiency above 100%. We developed a lead sulfide (PbS) QD photoelectrochemical cell that is able to drive hydrogen evolution from aqueous Na 2S solution with a peak external quantum efficiency exceeding 100%. QDmore » photoelectrodes that were measured all demonstrated MEG when the incident photon energy was larger than 2.7 times the bandgap energy. Finally, our results demonstrate a new direction in exploring high-efficiency approaches to solar fuels.« less

High-energy mode-locked fiber lasers using multiple transmission filters and a genetic algorithm.

PubMed

Fu, Xing; Kutz, J Nathan

2013-03-11

We theoretically demonstrate that in a laser cavity mode-locked by nonlinear polarization rotation (NPR) using sets of waveplates and passive polarizer, the energy performance can be significantly increased by incorporating multiple NPR filters. The NPR filters are engineered so as to mitigate the multi-pulsing instability in the laser cavity which is responsible for limiting the single pulse per round trip energy in a myriad of mode-locked cavities. Engineering of the NPR filters for performance is accomplished by implementing a genetic algorithm that is capable of systematically identifying viable and optimal NPR settings in a vast parameter space. Our study shows that five NPR filters can increase the cavity energy by approximately a factor of five, with additional NPRs contributing little or no enhancements beyond this. With the advent and demonstration of electronic controls for waveplates and polarizers, the analysis suggests a general design and engineering principle that can potentially close the order of magnitude energy gap between fiber based mode-locked lasers and their solid state counterparts.

Architectures for wrist-worn energy harvesting

NASA Astrophysics Data System (ADS)

Rantz, R.; Halim, M. A.; Xue, T.; Zhang, Q.; Gu, L.; Yang, K.; Roundy, S.

2018-04-01

This paper reports the simulation-based analysis of six dynamical structures with respect to their wrist-worn vibration energy harvesting capability. This work approaches the problem of maximizing energy harvesting potential at the wrist by considering multiple mechanical substructures; rotational and linear motion-based architectures are examined. Mathematical models are developed and experimentally corroborated. An optimization routine is applied to the proposed architectures to maximize average power output and allow for comparison. The addition of a linear spring element to the structures has the potential to improve power output; for example, in the case of rotational structures, a 211% improvement in power output was estimated under real walking excitation. The analysis concludes that a sprung rotational harvester architecture outperforms a sprung linear architecture by 66% when real walking data is used as input to the simulations.

Radiation exposure and performance of multiple burn LEO-GEO orbit transfer trajectories

NASA Technical Reports Server (NTRS)

Gorland, S. H.

1985-01-01

Many potential strategies exist for the transfer of spacecraft from low Earth orbit (LEO) to geosynchronous (GEO) orbit. One strategy has generally been utilized, that being a single impulsive burn at perigee and a GEO insertion burn at apogee. Multiple burn strategies were discussed for orbit transfer vehicles (OTVs) but the transfer times and radiation exposure, particularly for potentially manned missions, were used as arguments against those options. Quantitative results concerning the trip time and radiation encountered by multiple burn orbit transfer missions in order to establish the feasibility of manned missions, the vulnerability of electronics, and the shielding requirements are presented. The performance of these multiple burn missions is quantified in terms of the payload and propellant variances from the minimum energy mission transfer. The missions analyzed varied from one to eight perigee burns and ranged from a high thrust, 1 g acceleration, cryogenic hydrogen-oxygen chemical prpulsion system to a continuous burn, 0.001 g acceleration, hydrogen fueled resistojet propulsion system with a trip time of 60 days.

Cold Water, Warm Ice?

ERIC Educational Resources Information Center

Yang, Li-Hsuan

2012-01-01

This article describes engaging students in two simple observations to address the concepts of changes of states, heat, temperature, and molecular potential and kinetic energy. It also discusses how these concepts can enable students to further explore and understand interesting and significant phenomena and research in multiple areas of science.…

Optima HD Imax: Molecular Implant

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

Tieger, D. R.; Splinter, P. R.; Hsieh, T. J.

2008-11-03

Molecular implantation offers semiconductor device manufacturers multiple advantages over traditional high current ion implanters. The dose multiplication due to implanting more than one atom per molecule and the transport of beams at higher energies relative to the effective particle energies result in significant throughput enhancements without risk of energy contamination. The Optima HD Imax is introduced with molecular implant capability and the ability to reach up to 4.2 keV effective {sup 11}B from octadecaborane (B{sub 18}H{sub 22}). The ion source and beamline are optimized for molecular species ionization and transport. The beamline is coupled to the Optima HD mechanically scannedmore » endstation. The use of spot beam technology with ionized molecules maximizes the throughput potential and produces uniform implants with fast setup time and with superior angle control. The implanter architecture is designed to run multiple molecular species; for example, in addition to B{sub 18}H{sub 22} the system is capable of implanting carbon molecules for strain engineering and shallow junction engineering. Source lifetime data and typical operating conditions are described both for high dose, memory applications such as dual poly gate as well as lower energy implants for source drain extension and contact implants. Throughputs have been achieved in excess of 50 wafers per hour at doses up to 1x10{sup 16} ions/cm{sup 2} and for energies as low as 1 keV.« less

Transport properties of active Brownian particles in a modified energy-depot model driven by correlated noises

NASA Astrophysics Data System (ADS)

Guan, Lin; Fang, Yuwen; Li, Kongzhai; Zeng, Chunhua; Yang, Fengzao

2018-09-01

In this paper, we investigate the role of correlated multiplicative (κ1) and additive (κ2) noises in a modified energy conversion depot model, at which it is added a linear term in the conversion of internal energy of active Brownian particles (ABPs). The linear term (a1 ≠ 0 . 0) in energy conversion model breaks the symmetry of the potential to generate motion of the ABPs with a net transport velocity. Adopt a nonlinear Langevin approach, the transport properties of the ABPs have been discussed, and our results show that: (i) the transport velocity <υ1 > of the ABPs are always positive whether the correlation intensity λ = 0 . 0 or not; (ii) for a small value of the multiplicative noise intensity κ1, the variation of <υ1 > with λ shows a minimum, there exists an optimal value of the correlation intensity λ at which the <υ1 > of the ABPs is minimized. But for a large value of κ1, the <υ1 > monotonically decreases; (iii) the transport velocity <υ1 > increases with the increase of the κ1 or κ2, i.e., the multiplicative or additive noise can facilitate the transport of the ABPs; and (iv) the effective diffusion increases with the increase of a1, namely, the linear term in modified energy conversion model of the ABPs can enhance the diffusion of the ABPs.

Critical analysis of pyrolysis process with cellulosic based municipal waste as renewable source in energy and technical perspective.

PubMed

Agarwal, Manu; Tardio, James; Venkata Mohan, S

2013-11-01

To understand the potential of cellulosic based municipal waste as a renewable feed-stock, application of pyrolysis by biorefinery approach was comprehensively studied for its practicable application towards technical and environmental viability in Indian context. In India, where the energy requirements are high, the pyrolysis of the cellulosic waste shows numerous advantages for its applicability as a potential waste-to-energy technology. The multiple energy outputs of the process viz., bio-gas, bio-oil and bio-char can serve the two major energy sectors, viz., electricity and transportation. The process suits best for high bio-gas and electrical energy production when energy input is satisfied from bio-char in form of steam (scheme-1). The bio-gas generated through the process shows its direct utility as a transportation fuel while the bio-oil produced can serve as fuel or raw material to chemical synthesis. On a commercial scale the process is a potent technology towards sustainable development. The process is self-sustained when operated on a continuous mode. Copyright © 2013 Elsevier Ltd. All rights reserved.

Energy Efficiency of D2D Multi-User Cooperation.

PubMed

Zhang, Zufan; Wang, Lu; Zhang, Jie

2017-03-28

The Device-to-Device (D2D) communication system is an important part of heterogeneous networks. It has great potential to improve spectrum efficiency, throughput and energy efficiency cooperation of multiple D2D users with the advantage of direct communication. When cooperating, D2D users expend extraordinary energy to relay data to other D2D users. Hence, the remaining energy of D2D users determines the life of the system. This paper proposes a cooperation scheme for multiple D2D users who reuse the orthogonal spectrum and are interested in the same data by aiming to solve the energy problem of D2D users. Considering both energy availability and the Signal to Noise Ratio (SNR) of each D2D user, the Kuhn-Munkres algorithm is introduced in the cooperation scheme to solve relay selection problems. Thus, the cooperation issue is transformed into a maximum weighted matching (MWM) problem. In order to enhance energy efficiency without the deterioration of Quality of Service (QoS), the link outage probability is derived according to the Shannon Equation by considering the data rate and delay. The simulation studies the relationships among the number of cooperative users, the length of shared data, the number of data packets and energy efficiency.

Kα resonance fluorescence in Al, Ti, Cu and potential applications for X-ray sources

NASA Astrophysics Data System (ADS)

Nahar, Sultana N.; Pradhan, Anil K.

2015-04-01

The Kα resonance fluorescence (RFL) effect via photoabsorptions of inner shell electrons as the element goes through multiple ionization states is studied. We demonstrate that the resonances observed recently in Kα (1s-2p) fluorescence in aluminum plasmas by using a high-intensity X-ray free-electron laser [1] are basically K-shell resonances in hollow atoms going through multiple ionization states at resonant energies as predicted earlier for gold and iron ions [2]. These resonances are formed below the K-shell ionization edge and shift toward higher energies with ionization states, as observed. Fluorescence emission intensities depend on transition probabilities for each ionization stage of the given element for all possible Kα (1 s → 2 p) transition arrays. The present calculations for resonant photoabsorptions of Kα photons in Al have reproduced experimentally observed features. Resonant cross sections and absorption coefficients are presented for possible observation of Kα RFL in the resonant energy ranges of 4.5-5.0 keV for Ti ions and 8.0-8.7 keV for Cu ions respectively. We suggest that theoretically the Kα RFL process may be driven to enhance the Auger cycle by a twin-beam monochromatic X-ray source, tuned to the K-edge and Kα energies, with potential applications such as the development of narrow-band biomedical X-ray devices.

The collisional Penrose process

NASA Astrophysics Data System (ADS)

Schnittman, Jeremy D.

2018-06-01

Shortly after the discovery of the Kerr metric in 1963, it was realized that a region existed outside of the black hole's event horizon where no time-like observer could remain stationary. In 1969, Roger Penrose showed that particles within this ergosphere region could possess negative energy, as measured by an observer at infinity. When captured by the horizon, these negative energy particles essentially extract mass and angular momentum from the black hole. While the decay of a single particle within the ergosphere is not a particularly efficient means of energy extraction, the collision of multiple particles can reach arbitrarily high center-of-mass energy in the limit of extremal black hole spin. The resulting particles can escape with high efficiency, potentially serving as a probe of high-energy particle physics as well as general relativity. In this paper, we briefly review the history of the field and highlight a specific astrophysical application of the collisional Penrose process: the potential to enhance annihilation of dark matter particles in the vicinity of a supermassive black hole.

Converting biomechanical energy into electricity by a muscle-movement-driven nanogenerator.

PubMed

Yang, Rusen; Qin, Yong; Li, Cheng; Zhu, Guang; Wang, Zhong Lin

2009-03-01

A living species has numerous sources of mechanical energy, such as muscle stretching, arm/leg swings, walking/running, heart beats, and blood flow. We demonstrate a piezoelectric nanowire based nanogenerator that converts biomechanical energy, such as the movement of a human finger and the body motion of a live hamster (Campbell's dwarf), into electricity. A single wire generator (SWG) consists of a flexible substrate with a ZnO nanowire affixed laterally at its two ends on the substrate surface. Muscle stretching results in the back and forth stretching of the substrate and the nanowire. The piezoelectric potential created inside the wire leads to the flow of electrons in the external circuit. The output voltage has been increased by integrating multiple SWGs. A series connection of four SWGs produced an output voltage of up to approximately 0.1-0.15 V. The success of energy harvesting from a tapping finger and a running hamster reveals the potential of using the nanogenerators for scavenging low-frequency energy from regular and irregular biomotion.

Quantum mechanical characterization of the He4ICl weakly bound complex.

PubMed

Valdés, Álvaro; Prosmiti, Rita

2013-08-15

Vibrational calculations are performed for the 12-dimensional He4ICl van der Waals complex using the multiconfiguration time-dependent Hartree (MCTDH) method. The potential energy surface of the cluster is represented as a sum of the triatomic He-ICl ab initio parametrized terms plus the He-He interactions. The topology of the potential presents higher anisotropy compared to the one with a homonuclear dopant, and this is clearly reflected in the structure and energetics of the low-lying conformers of the system. In order to take advantage of the MCTDH method, natural potential fits are employed for the potential energy operator, and also, a mode combination scheme is introduced in order to speed up the computations. Zero-point energy, binding energies, and vibrationally averaged structures of different isomers of the He4ICl cluster are obtained. The present results predict that the (3,1,0) structure, involving three He atoms in the near T-shaped and one He atom in the linear configurations, to be the most stable one in accord with recent experimental findings. Comparisons with previous theoretical and experimental data are presented, and the stability of the high-order conformers is discussed in connection with the multiple minima (global and local) of the underlying potential surface.

Re-examining the tetraphenyl-arsonium/tetraphenyl-borate (TATB) hypothesis for single-ion solvation free energies

NASA Astrophysics Data System (ADS)

Pollard, Travis P.; Beck, Thomas L.

2018-06-01

Attempts to establish an absolute single-ion hydration free energy scale have followed multiple strategies. Two central themes consist of (1) employing bulk pair thermodynamic data and an underlying interfacial-potential-free model to partition the hydration free energy into individual contributions [Marcus, Latimer, and tetraphenyl-arsonium/tetraphenyl-borate (TATB) methods] or (2) utilizing bulk thermodynamic and cluster data to estimate the free energy to insert a proton into water, including in principle an interfacial potential contribution [the cluster pair approximation (CPA)]. While the results for the hydration free energy of the proton agree remarkably well between the three approaches in the first category, the value differs from the CPA result by roughly +10 kcal/mol, implying a value for the effective electrochemical surface potential of water of -0.4 V. This paper provides a computational re-analysis of the TATB method for single-ion free energies using quasichemical theory. A previous study indicated a significant discrepancy between the free energies of hydration for the TA cation and the TB anion. We show that the main contribution to this large computed difference is an electrostatic artifact arising from modeling interactions in periodic boundaries. No attempt is made here to develop more accurate models for the local ion/solvent interactions that may lead to further small free energy differences between the TA and TB ions, but the results clarify the primary importance of interfacial potential effects for analysis of the various free energy scales. Results are also presented, related to the TATB assumption in the organic solvents dimethyl sulfoxide and 1,2-dichloroethane.

Domestication of the Cardiac Mitochondrion for Energy Conversion

PubMed Central

Balaban, Robert S.

2009-01-01

The control of mitochondria energy conversion by cytosolic processes is reviewed. The nature of the cytosolic and mitochondrial potential energy homeostasis over wide ranges of energy utilization is reviewed and the consequences of this homeostasis in the control network are discussed. An analysis of the major candidate cytosolic signaling molecules ADP, Pi and Ca2+ are reviewed based on the magnitude and source of the cytosolic concentration changes as well as the potential targets of action within the mitochondrial energy conversion system. Based on this analysis, Ca2+ is the best candidate as a cytosolic signaling molecule for this process based on its ability to act as both a feed-forward and feed-back indicator of ATP hydrolysis and numerous targets within the matrix to provide a balanced activation of ATP production. These targets include numerous dehydrogenases and the F1-F0-ATPase. Pi is also a good candidate since it is an early signal of a mismatch between cytosolic ATP production and ATP synthesis in the presence of creatine kinase and has multiple targets within oxidative phosphorylation including NADH generation, electron flux in the cytochrome chain and a substrate for the F1-F0-ATPase. The mechanism of the coordinated activation of oxidative phosphorylation by these signaling molecules in discussed in light of the recent discoveries of extensive protein phosphorylation sites and other post-translational modifications. From this review it is clear that the control network associated with the maintenance of the cytosolic potential energy homeostasis is extremely complex with multiple pathways orchestrated to balance the sinks and sources in this system. New tools are needed to image and monitor metabolites within subcellular compartments to resolve many of these issues as well as the functional characterization of the numerous matrix post-translational events being discovered along with the enzymatic processes generating and removing these protein modifications. PMID:19265699

Hybrid nanogenerator for concurrently harvesting biomechanical and biochemical energy.

PubMed

Hansen, Benjamin J; Liu, Ying; Yang, Rusen; Wang, Zhong Lin

2010-07-27

Harvesting energy from multiple sources available in our personal and daily environments is highly desirable, not only for powering personal electronics, but also for future implantable sensor-transmitter devices for biomedical and healthcare applications. Here we present a hybrid energy scavenging device for potential in vivo applications. The hybrid device consists of a piezoelectric poly(vinylidene fluoride) nanofiber nanogenerator for harvesting mechanical energy, such as from breathing or from the beat of a heart, and a flexible enzymatic biofuel cell for harvesting the biochemical (glucose/O2) energy in biofluid, which are two types of energy available in vivo. The two energy harvesting approaches can work simultaneously or individually, thereby boosting output and lifetime. Using the hybrid device, we demonstrate a "self-powered" nanosystem by powering a ZnO nanowire UV light sensor.

Institutional Transformation Version 2.5 Modeling and Planning.

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

Villa, Daniel; Mizner, Jack H.; Passell, Howard D.

Reducing the resource consumption and emissions of large institutions is an important step toward a sustainable future. Sandia National Laboratories' (SNL) Institutional Transformation (IX) project vision is to provide tools that enable planners to make well-informed decisions concerning sustainability, resource conservation, and emissions reduction across multiple sectors. The building sector has been the primary focus so far because it is the largest consumer of resources for SNL. The IX building module allows users to define the evolution of many buildings over time. The module has been created so that it can be generally applied to any set of DOE-2 (more » http://doe2.com ) building models that have been altered to include parameters and expressions required by energy conservation measures (ECM). Once building models have been appropriately prepared, they are checked into a Microsoft Access (r) database. Each building can be represented by many models. This enables the capability to keep a continuous record of models in the past, which are replaced with different models as changes occur to the building. In addition to this, the building module has the capability to apply climate scenarios through applying different weather files to each simulation year. Once the database has been configured, a user interface in Microsoft Excel (r) is used to create scenarios with one or more ECMs. The capability to include central utility buildings (CUBs) that service more than one building with chilled water has been developed. A utility has been created that joins multiple building models into a single model. After using the utility, several manual steps are required to complete the process. Once this CUB model has been created, the individual contributions of each building are still tracked through meters. Currently, 120 building models from SNL's New Mexico and California campuses have been created. This includes all buildings at SNL greater than 10,000 sq. ft., representing 80% of the energy consumption at SNL. SNL has been able to leverage this model to estimate energy savings potential of many competing ECMs. The results helped high level decision makers to create energy reduction goals for SNL. These resources also have multiple applications for use of the models as individual buildings. In addition to the building module, a solar module built in Powersim Studio (r) allows planners to evaluate the potential photovoltaic (PV) energy generation potential for flat plate PV, concentrating solar PV, and concentration solar thermal technologies at multiple sites across SNL's New Mexico campus. Development of the IX modeling framework was a unique collaborative effort among planners and engineers in SNL's facilities division; scientists and computer modelers in SNL's research and development division; faculty from Arizona State University; and energy modelers from Bridger and Paxton Consulting Engineers Incorporated.« less

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

Robichaud, R.; Fields, J.; Roberts, J. O.

The U.S. Environmental Protection Agency (EPA) launched the RE-Powering America's Land initiative to encourage development of renewable energy (RE) on potentially contaminated land and mine sites. EPA is collaborating with the U.S. Department of Energy's (DOE's) National Renewable Energy Laboratory (NREL) to evaluate RE options at Naval Station (NAVSTA) Newport in Newport, Rhode Island where multiple contaminated areas pose a threat to human health and the environment. Designated a superfund site on the National Priorities List in 1989, the base is committed to working toward reducing the its dependency on fossil fuels, decreasing its carbon footprint, and implementing RE projectsmore » where feasible. The Naval Facilities Engineering Service Center (NFESC) partnered with NREL in February 2009 to investigate the potential for wind energy generation at a number of Naval and Marine bases on the East Coast. NAVSTA Newport was one of several bases chosen for a detailed, site-specific wind resource investigation. NAVSTA Newport, in conjunction with NREL and NFESC, has been actively engaged in assessing the wind resource through several ongoing efforts. This report focuses on the wind resource assessment, the estimated energy production of wind turbines, and a survey of potential wind turbine options based upon the site-specific wind resource.« less

Multiple energy synchrotron biomedical imaging system

NASA Astrophysics Data System (ADS)

Bassey, B.; Martinson, M.; Samadi, N.; Belev, G.; Karanfil, C.; Qi, P.; Chapman, D.

2016-12-01

A multiple energy imaging system that can extract multiple endogenous or induced contrast materials as well as water and bone images would be ideal for imaging of biological subjects. The continuous spectrum available from synchrotron light facilities provides a nearly perfect source for multiple energy x-ray imaging. A novel multiple energy x-ray imaging system, which prepares a horizontally focused polychromatic x-ray beam, has been developed at the BioMedical Imaging and Therapy bend magnet beamline at the Canadian Light Source. The imaging system is made up of a cylindrically bent Laue single silicon (5,1,1) crystal monochromator, scanning and positioning stages for the subjects, flat panel (area) detector, and a data acquisition and control system. Depending on the crystal’s bent radius, reflection type, and the horizontal beam width of the filtered synchrotron radiation (20-50 keV) used, the size and spectral energy range of the focused beam prepared varied. For example, with a bent radius of 95 cm, a (1,1,1) type reflection and a 50 mm wide beam, a 0.5 mm wide focused beam of spectral energy range 27 keV-43 keV was obtained. This spectral energy range covers the K-edges of iodine (33.17 keV), xenon (34.56 keV), cesium (35.99 keV), and barium (37.44 keV) some of these elements are used as biomedical and clinical contrast agents. Using the developed imaging system, a test subject composed of iodine, xenon, cesium, and barium along with water and bone were imaged and their projected concentrations successfully extracted. The estimated dose rate to test subjects imaged at a ring current of 200 mA is 8.7 mGy s-1, corresponding to a cumulative dose of 1.3 Gy and a dose of 26.1 mGy per image. Potential biomedical applications of the imaging system will include projection imaging that requires any of the extracted elements as a contrast agent and multi-contrast K-edge imaging.

Transaction-Based Building Controls Framework, Volume 1: Reference Guide

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

Somasundaram, Sriram; Pratt, Robert G.; Akyol, Bora A.

This document proposes a framework concept to achieve the objectives of raising buildings’ efficiency and energy savings potential benefitting building owners and operators. We call it a transaction-based framework, wherein mutually-beneficial and cost-effective market-based transactions can be enabled between multiple players across different domains. Transaction-based building controls are one part of the transactional energy framework. While these controls realize benefits by enabling automatic, market-based intra-building efficiency optimizations, the transactional energy framework provides similar benefits using the same market -based structure, yet on a larger scale and beyond just buildings, to the society at large.

Thermal energy storage for low grade heat in the organic Rankine cycle

NASA Astrophysics Data System (ADS)

Soda, Michael John

Limits of efficiencies cause immense amounts of thermal energy in the form of waste heat to be vented to the atmosphere. Up to 60% of unrecovered waste heat is classified as low or ultra-low quality, making recovery difficult or inefficient. The organic Rankine cycle can be used to generate mechanical power and electricity from these low temperatures where other thermal cycles are impractical. A variety of organic working fluids are available to optimize the ORC for any target temperature range. San Diego State University has one such experimental ORC using R245fa, and has been experimenting with multiple expanders. One limitation of recovering waste heat is the sporadic or cyclical nature common to its production. This inconsistency makes sizing heat recovery ORC systems difficult for a variety of reasons including off-design-point efficiency loss, increased attrition from varying loads, unreliable outputs, and overall system costs. Thermal energy storage systems can address all of these issues by smoothing the thermal input to a constant and reliable level and providing back-up capacity for times when the thermal input is deactivated. Multiple types of thermal energy storage have been explored including sensible, latent, and thermochemical. Latent heat storage involves storing thermal energy in the reversible phase change of a phase change material, or PCM, and can have several advantages over other modalities including energy storage density, cost, simplicity, reliability, relatively constant temperature output, and temperature customizability. The largest obstacles to using latent heat storage include heat transfer rates, thermal cycling stability, and potentially corrosive PCMs. Targeting 86°C, the operating temperature of SDSU's experimental ORC, multiple potential materials were explored and tested as potential PCMs including Magnesium Chloride Hexahydrate (MgCl2˙6H2O), Magnesium Nitrate Hexahydrate (Mg(NO3)2˙6H 2O), montan wax, and carnauba wax. The addition of graphite to augment heat transfer rates was also tested. Melting and solidification temperatures largely matched predictions. The magnesium salts were found to be less stable under thermal cycling than the waxes. Graphite was only soluble in the waxes. Mixtures of magnesium salts and waxes yielded a layered composite with the less dense waxes creating a sealing layer over the salt layer that significantly increased the stability of the magnesium salts. Research into optimum heat exchangers and storage vessels for these applications indicates that horizontally oriented aluminum pipes with vertically oriented aluminum fins would be the best method of storing and retrieving energy. Fin spacing can be predicted by an equation based on target temperatures and PCM characteristics.

Ion Beam Characterization of a NEXT Multi-Thruster Array Plume

NASA Technical Reports Server (NTRS)

Pencil, Eric J.; Foster, John E.; Patterson, Michael J.; Diaz, Esther M.; Van Noord, Jonathan L.; McEwen, Heather K.

2006-01-01

Three operational, engineering model, 7-kW ion thrusters and one instrumented, dormant thruster were installed in a cluster array in a large vacuum facility at NASA Glenn Research Center. A series of engineering demonstration tests were performed to evaluate the system performance impacts of operating various multiple-thruster configurations in an array. A suite of diagnostics was installed to investigate multiple-thruster operation impact on thruster performance and life, thermal interactions, and alternative system modes and architectures. The ion beam characterization included measuring ion current density profiles and ion energy distribution with Faraday probes and retarding potential analyzers, respectively. This report focuses on the ion beam characterization during single thruster operation, multiple thruster operation, various neutralizer configurations, and thruster gimbal articulation. Comparison of beam profiles collected during single and multiple thruster operation demonstrated the utility of superimposing single engine beam profiles to predict multi-thruster beam profiles. High energy ions were detected in the region 45 off the thruster axis, independent of thruster power, number of operating thrusters, and facility background pressure, which indicated that the most probable ion energy was not effected by multiple-thruster operation. There were no significant changes to the beam profiles collected during alternate thruster-neutralizer configurations, therefore supporting the viability of alternative system configuration options. Articulation of one thruster shifted its beam profile, whereas the beam profile of a stationary thruster nearby did not change, indicating there were no beam interactions which was consistent with the behavior of a collisionless beam expansion.

Free energies of binding from large-scale first-principles quantum mechanical calculations: application to ligand hydration energies.

PubMed

Fox, Stephen J; Pittock, Chris; Tautermann, Christofer S; Fox, Thomas; Christ, Clara; Malcolm, N O J; Essex, Jonathan W; Skylaris, Chris-Kriton

2013-08-15

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this context, the energy change associated with the rearrangement of electrons (electronic polarization and charge transfer) upon binding is a very important effect. Classical molecular mechanics force fields do not take this effect into account explicitly, and polarizable force fields and semiempirical quantum or hybrid quantum-classical (QM/MM) calculations are increasingly employed (at higher computational cost) to compute intermolecular interactions in free-energy schemes. In this work, we investigate the use of large-scale quantum mechanical calculations from first-principles as a way of fully taking into account electronic effects in free-energy calculations. We employ a one-step free-energy perturbation (FEP) scheme from a molecular mechanical (MM) potential to a quantum mechanical (QM) potential as a correction to thermodynamic integration calculations within the MM potential. We use this approach to calculate relative free energies of hydration of small aromatic molecules. Our quantum calculations are performed on multiple configurations from classical molecular dynamics simulations. The quantum energy of each configuration is obtained from density functional theory calculations with a near-complete psinc basis set on over 600 atoms using the ONETEP program.

Assessing the Multiple Benefits of Clean Energy: A Resource for States

EPA Science Inventory

Clean energy provides multiple benefits. The Multiple Benefits Guide provides an overview of the environmental, energy system and economic benefits of clean energy, specifically energy efficiency, renewable energy and clean distributed generation, and why it is important to thin...

Algae biofuels: versatility for the future of bioenergy.

PubMed

Jones, Carla S; Mayfield, Stephen P

2012-06-01

The world continues to increase its energy use, brought about by an expanding population and a desire for a greater standard of living. This energy use coupled with the realization of the impact of carbon dioxide on the climate, has led us to reanalyze the potential of plant-based biofuels. Of the potential sources of biofuels the most efficient producers of biomass are the photosynthetic microalgae and cyanobacteria. These versatile organisms can be used for the production of bioethanol, biodiesel, biohydrogen, and biogas. In fact, one of the most economic methods for algal biofuels production may be the combined biorefinery approach where multiple biofuels are produced from one biomass source. Copyright © 2011 Elsevier Ltd. All rights reserved.

Cumulative biological impacts framework for solar energy projects in the California Desert

USGS Publications Warehouse

Davis, Frank W.; Kreitler, Jason R.; Soong, Oliver; Stoms, David M.; Dashiell, Stephanie; Hannah, Lee; Wilkinson, Whitney; Dingman, John

2013-01-01

This project developed analytical approaches, tools and geospatial data to support conservation planning for renewable energy development in the California deserts. Research focused on geographical analysis to avoid, minimize and mitigate the cumulative biological effects of utility-scale solar energy development. A hierarchical logic model was created to map the compatibility of new solar energy projects with current biological conservation values. The research indicated that the extent of compatible areas is much greater than the estimated land area required to achieve 2040 greenhouse gas reduction goals. Species distribution models were produced for 65 animal and plant species that were of potential conservation significance to the Desert Renewable Energy Conservation Plan process. These models mapped historical and projected future habitat suitability using 270 meter resolution climate grids. The results were integrated into analytical frameworks to locate potential sites for offsetting project impacts and evaluating the cumulative effects of multiple solar energy projects. Examples applying these frameworks in the Western Mojave Desert ecoregion show the potential of these publicly-available tools to assist regional planning efforts. Results also highlight the necessity to explicitly consider projected land use change and climate change when prioritizing areas for conservation and mitigation offsets. Project data, software and model results are all available online.

Buffer thermal energy storage for a solar thermal powered 1-MW sub e electrical plant

NASA Astrophysics Data System (ADS)

Polzien, R. E.

The application of a latent heat thermal energy buffer storage (TEBS) subsystem to the small community solar thermal power experiment (SCSE) is discussed. The SCSE is a 1-MW sub e solar thermal electric plant consisting of multiple paraboloidal concentrators with an organic Rankine cycle power conversion unit mounted at the focus of each concentrator. Objective of the TEBS is to minimize plant shutdowns during intermittent cloud coverage thereby improving life expectancy of major subsystems. An SCSE plant performance model is used with time varying insolation to show that 70 to 80 percent of the potential engine shutdowns may be averted with the TEBS system. Parametric variation of engine life dependency on start/stop cycles shows the potential for a 4 percent reduction in levelized bus bar energy cost using TEBS.

Understanding band gaps of solids in generalized Kohn-Sham theory.

PubMed

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-03-14

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

Understanding band gaps of solids in generalized Kohn–Sham theory

PubMed Central

Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-01-01

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

Potential for energy generation from anaerobic digestion of food waste in Australia.

PubMed

Lou, Xian Fang; Nair, Jaya; Ho, Goen

2013-03-01

Published national and state reports have revealed that Australia deposits an average of 16 million Mg of solid waste into landfills yearly, of which approximately 12.6% is comprised of food. Being highly biodegradable and possessing high energy content, anaerobic digestion offers an attractive treatment option alternative to landfilling. The present study attempted to identify the theoretical maximum benefit of food waste digestion in Australia with regard to energy recovery and waste diversion from landfills. The study also assessed the scope for anaerobic process to utilize waste for energy projects through various case study scenarios. Results indicated anaerobic digestion of total food waste generated across multiple sites in Australia could generate 558 453 dam(3) of methane which translated to 20.3 PJ of heating potential or 1915 GWe in electricity generation annually. This would contribute to 3.5% of total current energy supply from renewable sources. Energy contribution from anaerobic digestion of food waste to the total energy requirement in Australia remains low, partially due to the high energy consumption of the country. However its appropriateness in low density regions, which are prevalent in Australia, may allow digesters to have a niche application in the country.

Identifying potential conflict associated with oil and gas exploration in Texas state coastal waters: A multicriteria spatial analysis.

PubMed

Brody, Samuel D; Grover, Himanshu; Bernhardt, Sarah; Tang, Zhenghong; Whitaker, Bianca; Spence, Colin

2006-10-01

Recent interest in expanding offshore oil production within waters of the United States has been met with opposition by groups concerned with recreational, environmental, and aesthetic values associated with the coastal zone. Although the proposition of new oil platforms off the coast has generated conflict over how coastal resources should be utilized, little research has been conducted on where these user conflicts might be most intense and which sites might be most suitable for locating oil production facilities in light of the multiple, and often times, competing interests. In this article, we develop a multiple-criteria spatial decision support tool that identifies the potential degree of conflict associated with oil and gas production activities for existing lease tracts in the coastal margin of Texas. We use geographic information systems to measure and map a range of potentially competing representative values impacted by establishing energy extraction infrastructure and then spatially identify which leased tracts are the least contentious sites for oil and gas production in Texas state waters. Visual and statistical results indicate that oil and gas lease blocks within the study area vary in their potential to generate conflict among multiple stakeholders.

Aspect ratio dependence of auger recombination and carrier multiplication in PbSe nanorods.

PubMed

Padilha, Lazaro A; Stewart, John T; Sandberg, Richard L; Bae, Wan Ki; Koh, Weon-Kyu; Pietryga, Jeffrey M; Klimov, Victor I

2013-03-13

Nanomaterials with efficient carrier multiplication (CM), that is, generation of multiple electron-hole pairs by single photons, have been the object of intense scientific interest as potential enablers of high efficiency generation-III photovoltaics. In this work, we explore nanocrystal shape control as a means for enhancing CM. Specifically, we investigate the influence of aspect ratio (ρ) of PbSe nanorods (NRs) on both CM and the inverse of this process, Auger recombination. We observe that Auger lifetimes in NRs increase with increasing particle volume and for a fixed cross-sectional size follow a linear dependence on the NR length. For a given band gap energy, the CM efficiency in NRs shows a significant dependence on aspect ratio and exhibits a maximum at ρ ∼ 6-7 for which the multiexciton yields are a factor of ca. 2 higher than those in quantum dots with a similar bandgap energy. To rationalize our experimental observations, we analyze the influence of dimensionality on both CM and non-CM energy-loss mechanisms and offer possible explanations for the seemingly divergent effects the transition from zero- to one-dimensional confinement has on the closely related processes of Auger recombination and CM.

Broadband ultrafast transient absorption of multiple exciton dynamics in lead sulfide nanocrystals

NASA Astrophysics Data System (ADS)

Gesuele, Felice; Wong, Chee Wei; Sfeir, Matthew; Misewich, James; Koh, Weonkyu; Murray, Christopher

2011-03-01

Multiple exciton generation (MEG) is under intense investigation as potential third-generation solar photovoltaics with efficiencies beyond the Shockley-Queisser limit. We examine PbS nanocrystals, dispersed and vigorously stirred in TCE solution, by means of supercontinuum femtosecond transient absorption (TA). TA spectra show the presence of first and second order bleaches for the 1Sh-Se and 1Ph-Pe excitonic transition while photoinduced absorption for the 1Sh,e-Ph,e transitions. We found evidence of carrier multiplication (MEG for single absorbed photon) from the analysis of the first and second order bleaches, in the limit of low number of absorbed photons (Nabs ~ 0.01), for energy three times and four times the Energy gap. The MEG efficiency, derived from the ratio between early-time to long-time TA signal, presents a strongly dispersive behavior with maximum red shifted respect the first absorption peak. Analysis of population dynamics shows that in presence of biexciton, the 1Sh-Se bleach peak is red-shifted indicating a positive binding energy. MEG efficiency estimation will be discussed with regards to spectral integration, correlated higher-order and first excitonic transitions, as well as the nanocrystal morphologies.

Predicting the photoinduced electron transfer thermodynamics in polyfluorinated 1,3,5-triarylpyrazolines based on multiple linear free energy relationships†

PubMed Central

Verma, Manjusha; Chaudhry, Aneese F.; Fahrni, Christoph J.

2010-01-01

The photophysical properties of 1,3,5-triarylpyrazolines are strongly influenced by the nature and position of substituents attached to the aryl-rings, rendering this fluorophore platform well suited for the design of fluorescent probes utilizing a photoinduced electron transfer (PET) switching mechanism. To explore the tunability of two key parameters that govern the PET thermodynamics, the excited state energy ΔE00 and acceptor potential E(A/A−), a library of polyfluoro-substituted 1,3-diaryl-5-phenyl-pyrazolines was synthesized and characterized. The observed trends for the PET parameters were effectively captured through multiple Hammett linear free energy relationships (LFER) using a set of independent substituent constants for each of the two aryl rings. Given the lack of experimental Hammett constants for polyfluoro substituted aromatics, theoretically derived constants based on the electrostatic potential at the nucleus (EPN) of carbon atoms were employed as quantum chemical descriptors. The performance of the LFER was evaluated with a set of compounds that were not included in the training set, yielding a mean unsigned error of 0.05 eV for the prediction of the combined PET parameters. The outlined LFER approach should be well suited to design and optimize the performance of cation-responsive 1,3,5-triarylpyrazolines. PMID:19343239

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

NASA Astrophysics Data System (ADS)

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-07-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices.

An Assessment Model for Energy Efficiency Program Planning in Electric Utilities: Case of the Pacific of Northwest U.S.A

NASA Astrophysics Data System (ADS)

Iskin, Ibrahim

Energy efficiency stands out with its potential to address a number of challenges that today's electric utilities face, including increasing and changing electricity demand, shrinking operating capacity, and decreasing system reliability and flexibility. Being the least cost and least risky alternative, the share of energy efficiency programs in utilities' energy portfolios has been on the rise since the 1980s, and their increasing importance is expected to continue in the future. Despite holding great promise, the ability to determine and invest in only the most promising program alternatives plays a key role in the successful use of energy efficiency as a utility-wide resource. This issue becomes even more significant considering the availability of a vast number of potential energy efficiency programs, the rapidly changing business environment, and the existence of multiple stakeholders. This dissertation introduces hierarchical decision modeling as the framework for energy efficiency program planning in electric utilities. The model focuses on the assessment of emerging energy efficiency programs and proposes to bridge the gap between technology screening and cost/benefit evaluation practices. This approach is expected to identify emerging technology alternatives which have the highest potential to pass cost/benefit ratio testing procedures and contribute to the effectiveness of decision practices in energy efficiency program planning. The model also incorporates rank order analysis and sensitivity analysis for testing the robustness of results from different stakeholder perspectives and future uncertainties in an attempt to enable more informed decision-making practices. The model was applied to the case of 13 high priority emerging energy efficiency program alternatives identified in the Pacific Northwest, U.S.A. The results of this study reveal that energy savings potential is the most important program management consideration in selecting emerging energy efficiency programs. Market dissemination potential and program development and implementation potential are the second and third most important, whereas ancillary benefits potential is the least important program management consideration. The results imply that program value considerations, comprised of energy savings potential and ancillary benefits potential; and program feasibility considerations, comprised of program development and implementation potential and market dissemination potential, have almost equal impacts on assessment of emerging energy efficiency programs. Considering the overwhelming number of value-focused studies and the few feasibility-focused studies in the literature, this finding clearly shows that feasibility-focused studies are greatly understudied. The hierarchical decision model developed in this dissertation is generalizable. Thus, other utilities or power systems can adopt the research steps employed in this study as guidelines and conduct similar assessment studies on emerging energy efficiency programs of their interest.

Ion Plume Damage in Formation Flight Regimes

NASA Astrophysics Data System (ADS)

Young, Jarred Alexander

This effort examines the potential for damage from plume impingement from an electric propulsion system within spacecraft missions that utilize a formation flight architecture. Specifically, the potential erosion of a structural material (Aluminum) and anti-reflective coatings for solar cell coverglass are explored. Sputter yields for the materials of Aluminum, Magnesium Fluoride, and Indium Tin Oxide are experimentally validated using an electrostatic ion source at energies varying from 500-1500 eV. Erosion depths are analyzed using white-light optical profilometry to measure potential depths up to 1 microm. This erosion data was then utilized to create (or augment) Bohdansky and Yamamura theoretical curve fits for multiple incidence angles to look at theoretical sputter effects within formation flight regimes at multiple formation distances from 50-1000 m. The damage from these electric propulsion plumes is explored throughout multiple orbital conditions from LEO, Sun-Synchronous, and GEO. Factors affecting erosion are: plume density, local geomagnetic field environment and incidence angles of target surfaces. Results from this simulated study show significant erosion with GEO with minor erosion in some LEO and all Sun-Synchronous cases.

Reconfiguration of a smart surface using heteroclinic connections

PubMed Central

McInnes, Colin R.; Xu, Ming

2017-01-01

A reconfigurable smart surface with multiple equilibria is presented, modelled using discrete point masses and linear springs with geometric nonlinearity. An energy-efficient reconfiguration scheme is then investigated to connect equal-energy unstable (but actively controlled) equilibria. In principle, zero net energy input is required to transition the surface between these unstable states, compared to transitions between stable equilibria across a potential barrier. These transitions between equal-energy unstable states, therefore, form heteroclinic connections in the phase space of the problem. Moreover, the smart surface model developed can be considered as a unit module for a range of applications, including modules which can aggregate together to form larger distributed smart surface systems. PMID:28265191

Free energy from molecular dynamics with multiple constraints

NASA Astrophysics Data System (ADS)

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

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

Ion-Induced Afterpulsing in the Neutron Multiplicity Meter's Photomultiplier Tubes

NASA Astrophysics Data System (ADS)

Nedlik, Christopher; Schnee, Richard; Bunker, Raymond; Chen, Yu; Neutron Multiplicity Meter Collaboration

2013-10-01

The nature of the dark matter in the Universe remains a mystery in modern physics. A leading candidate, Weakly Interacting Massive Particles (WIMPs), may be detectable via scattering from nuclear targets in terrestrial detectors, located underground to prevent fake signals from cosmic-ray showers. The Neutron Multiplicity Meter (NMM) is a detector capable of measuring the muon-induced neutron flux deep underground, a problematic background for WIMP detection. The NMM is a 4.4-tonne Gd-loaded water-Cherenkov detector atop a 20-kilotonne lead target in the Soudan Mine. It measures high-energy neutrons (>50 MeV) by moderating and then detecting (via Gd capture gammas) the secondary neutrons emerging from the lead following a high-energy neutron interaction. The short time scale (~10 μs) for neutron capture in Gd-loaded water enables a custom multiplicity trigger to discriminate against the dominant gamma-ray background. Despite excellent rejection of the gamma-ray-induced background, NMM neutron-candidate events are not entirely background-free. One type of background is from ion-induced afterpulsing (AP) in the four 20'' Hamamatsu R7250 photomultiplier tubes (PMTs) used to monitor the NMM's two water tanks. We show that ion-induced AP in the PMTs can mimic the NMM's low-energy neutron response, potentially biasing a candidate event's measured multiplicity. We present detailed studies of the AP in order to allow identification of AP-induced background events.

Guidelines for a More Reality Based Teacher Preparation Program for the Future.

ERIC Educational Resources Information Center

Cherniack, Mark; And Others

1974-01-01

It is important to consider the following trends when planning inservice and preservice programs: (a) multiple crisis potential (food, energy, environment, water, war and peace issues, etc.); (b) declining birth rate resulting in smaller numbers of humans in traditional school-age brackets; and (c) increasing demand for continuing education.…

Seasonal thermal energy storage

NASA Astrophysics Data System (ADS)

Minor, J. E.

1980-03-01

The Seasonal Thermal Energy Storage (STES) Program demonstrates the economic storage and retrieval of thermal energy on a seasonal basis, using heat or cold available from waste or other sources during a surplus period to reduce peak period demand, reduce electric utilities peaking problems, and contribute to the establishment of favorable economics for district heating and cooling systems for commercialization of the technology. The STES Program utilizes ground water systems (aquifers) for thermal energy storage. The STES Program is divided into an Aquifer Thermal Energy Storage (ATES) Demonstration Task for demonstrating the commercialization potential of aquifer thermal energy storage technology using an integrated system approach to multiple demonstration projects and a parallel Technical Support Task designed to provide support to the overall STES Program, and to reduce technological and institutional barriers to the development of energy storage systems prior to significant investment in demonstration or commercial facilities.

Lattice thermal conductivity of multi-component alloys

DOE PAGES

Caro, Magdalena; Béland, Laurent K.; Samolyuk, German D.; ...

2015-06-12

High entropy alloys (HEA) have unique properties including the potential to be radiation tolerant. These materials with extreme disorder could resist damage because disorder, stabilized by entropy, is the equilibrium thermodynamic state. Disorder also reduces electron and phonon conductivity keeping the damage energy longer at the deposition locations, eventually favoring defect recombination. In the short time-scales related to thermal spikes induced by collision cascades, phonons become the relevant energy carrier. In this paper, we perform a systematic study of phonon thermal conductivity in multiple component solid solutions represented by Lennard-Jones (LJ) potentials. We explore the conditions that minimize phonon meanmore » free path via extreme alloy complexity, by varying the composition and the elements (differing in mass, atomic radii, and cohesive energy). We show that alloy complexity can be tailored to modify the scattering mechanisms that control energy transport in the phonon subsystem. Finally, our analysis provides a qualitative guidance for the selection criteria used in the design of HEA alloys with low phonon thermal conductivity.« less

Marine Planning for Potential Wave Energy Facility Placement Amongst a Crowded Sea of Existing Resource Uses

NASA Astrophysics Data System (ADS)

Feist, B. E.; Fuller, E.; Plummer, M. L.

2016-12-01

Conversion to renewable energy sources is a logical response to increasing pressure to reduce greenhouse gas emissions. Ocean wave energy is the least developed renewable energy source, despite having the highest energy per unit area. While many hurdles remain in developing wave energy, assessing potential conflicts and evaluating tradeoffs with existing uses is essential. Marine planning encompasses a broad array of activities that take place in and affect large marine ecosystems, making it an ideal tool for evaluating wave energy resource use conflicts. In this study, we focus on the potential conflicts between wave energy conversion (WEC) facilities and existing marine uses in the context of marine planning, within the California Current Large Marine Ecosystem. First, we evaluated wave energy facility development using the Wave Energy Model (WEM) of the Integrated Valuation of Ecosystem Services and Trade-offs (InVEST) toolkit. Second, we ran spatial analyses on model output to identify conflicts with existing marine uses including AIS based vessel traffic, VMS and observer based measures of commercial fishing effort, and marine conservation areas. We found that regions with the highest wave energy potential were distant from major cities and that infrastructure limitations (cable landing sites) restrict integration with existing power grids. We identified multiple spatial conflicts with existing marine uses; especially shipping vessels and various commercial fishing fleets, and overlap with marine conservation areas varied by conservation designation. While wave energy generation facilities may be economically viable in the California Current, this viability must be considered within the context of the costs associated with conflicts that arise with existing marine uses. Our analyses can be used to better inform placement of WEC devices (as well as other types of renewable energy facilities) in the context of marine planning by accounting for economic tradeoffs and providing spatially explicit site prioritization.

Development of a Suite of Analytical Tools for Energy and Water Infrastructure Knowledge Discovery

NASA Astrophysics Data System (ADS)

Morton, A.; Piburn, J.; Stewart, R.; Chandola, V.

2017-12-01

Energy and water generation and delivery systems are inherently interconnected. With demand for energy growing, the energy sector is experiencing increasing competition for water. With increasing population and changing environmental, socioeconomic, and demographic scenarios, new technology and investment decisions must be made for optimized and sustainable energy-water resource management. This also requires novel scientific insights into the complex interdependencies of energy-water infrastructures across multiple space and time scales. To address this need, we've developed a suite of analytical tools to support an integrated data driven modeling, analysis, and visualization capability for understanding, designing, and developing efficient local and regional practices related to the energy-water nexus. This work reviews the analytical capabilities available along with a series of case studies designed to demonstrate the potential of these tools for illuminating energy-water nexus solutions and supporting strategic (federal) policy decisions.

Design of State-of-the-art Flow Cells for Energy Applications

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

Yang, Ping

The worldwide energy demand is increasing every day and it necessitates rational and efficient usage of renewable energy. Undoubtedly, utilization of renewable energy can address various environmental challenges. However, all current renewable energy resources (wind, solar, and hydroelectric power) are intermittent and fluctuating in their nature that raises an important question of introducing effective energy storage solutions. Utilization of redox flow cells (RFCs) has recently been recognized as a viable technology for large-scale energy storage and, hence, is well suited for integrating renewable energy and balancing electricity grids. In brief, RFC is an electrochemical storage device where energy is storedmore » in chemical bonds, similar to a battery, but with reactants external to the cell. The state-of-the-art in flow cell technology uses an aqueous acidic electrolyte and simple metal redox couples. Thus, there is an urgent call to develop efficient (high-energy density) and low-cost RFCs to meet the efflorescent energy storage demands. To address the first challenge of achieving high-energy density, we plan to design and further modify complexes composed of bifunctional multidentate ligands and specific metal centers, capable of storing as many electrons as possible. In order to address the second challenge of reducing cost of the RFCs, we plan to use iron (Fe) metal as it regularly occupies multiple oxidation states and is the second most abundant metal in the earth’s crust that makes it an ideal metal for improved energy densities, higher potentials, and numbers of electrons per molecule while maintaining potential cost competitiveness. Density functional theory calculations considering solvation effects will be performed to yield accurate predictions of redox potentials.« less

Determination of renewable energy yield from mixed waste material from the use of novel image analysis methods.

PubMed

Wagland, S T; Dudley, R; Naftaly, M; Longhurst, P J

2013-11-01

Two novel techniques are presented in this study which together aim to provide a system able to determine the renewable energy potential of mixed waste materials. An image analysis tool was applied to two waste samples prepared using known quantities of source-segregated recyclable materials. The technique was used to determine the composition of the wastes, where through the use of waste component properties the biogenic content of the samples was calculated. The percentage renewable energy determined by image analysis for each sample was accurate to within 5% of the actual values calculated. Microwave-based multiple-point imaging (AutoHarvest) was used to demonstrate the ability of such a technique to determine the moisture content of mixed samples. This proof-of-concept experiment was shown to produce moisture measurement accurate to within 10%. Overall, the image analysis tool was able to determine the renewable energy potential of the mixed samples, and the AutoHarvest should enable the net calorific value calculations through the provision of moisture content measurements. The proposed system is suitable for combustion facilities, and enables the operator to understand the renewable energy potential of the waste prior to combustion. Copyright © 2013 Elsevier Ltd. All rights reserved.

FireProt: Energy- and Evolution-Based Computational Design of Thermostable Multiple-Point Mutants.

PubMed

Bednar, David; Beerens, Koen; Sebestova, Eva; Bendl, Jaroslav; Khare, Sagar; Chaloupkova, Radka; Prokop, Zbynek; Brezovsky, Jan; Baker, David; Damborsky, Jiri

2015-11-01

There is great interest in increasing proteins' stability to enhance their utility as biocatalysts, therapeutics, diagnostics and nanomaterials. Directed evolution is a powerful, but experimentally strenuous approach. Computational methods offer attractive alternatives. However, due to the limited reliability of predictions and potentially antagonistic effects of substitutions, only single-point mutations are usually predicted in silico, experimentally verified and then recombined in multiple-point mutants. Thus, substantial screening is still required. Here we present FireProt, a robust computational strategy for predicting highly stable multiple-point mutants that combines energy- and evolution-based approaches with smart filtering to identify additive stabilizing mutations. FireProt's reliability and applicability was demonstrated by validating its predictions against 656 mutations from the ProTherm database. We demonstrate that thermostability of the model enzymes haloalkane dehalogenase DhaA and γ-hexachlorocyclohexane dehydrochlorinase LinA can be substantially increased (ΔTm = 24°C and 21°C) by constructing and characterizing only a handful of multiple-point mutants. FireProt can be applied to any protein for which a tertiary structure and homologous sequences are available, and will facilitate the rapid development of robust proteins for biomedical and biotechnological applications.

Crystallization in Two Dimensions and a Discrete Gauss-Bonnet Theorem

NASA Astrophysics Data System (ADS)

De Luca, L.; Friesecke, G.

2018-02-01

We show that the emerging field of discrete differential geometry can be usefully brought to bear on crystallization problems. In particular, we give a simplified proof of the Heitmann-Radin crystallization theorem (Heitmann and Radin in J Stat Phys 22(3):281-287, 1980), which concerns a system of N identical atoms in two dimensions interacting via the idealized pair potential V(r)=+∞ if r<1, -1 if r=1, 0 if r>1. This is done by endowing the bond graph of a general particle configuration with a suitable notion of discrete curvature, and appealing to a discrete Gauss-Bonnet theorem (Knill in Elem Math 67:1-7, 2012) which, as its continuous cousins, relates the sum/integral of the curvature to topological invariants. This leads to an exact geometric decomposition of the Heitmann-Radin energy into (i) a combinatorial bulk term, (ii) a combinatorial perimeter, (iii) a multiple of the Euler characteristic, and (iv) a natural topological energy contribution due to defects. An analogous exact geometric decomposition is also established for soft potentials such as the Lennard-Jones potential V(r)=r^{-6}-2r^{-12}, where two additional contributions arise, (v) elastic energy and (vi) energy due to non-bonded interactions.

Nonequilibrium Energy Transfer at Nanoscale: A Unified Theory from Weak to Strong Coupling

PubMed Central

Wang, Chen; Ren, Jie; Cao, Jianshu

2015-01-01

Unraveling the microscopic mechanism of quantum energy transfer across two-level systems provides crucial insights to the optimal design and potential applications of low-dimensional nanodevices. Here, we study the non-equilibrium spin-boson model as a minimal prototype and develop a fluctuation-decoupled quantum master equation approach that is valid ranging from the weak to the strong system-bath coupling regime. The exact expression of energy flux is analytically established, which dissects the energy transfer as multiple boson processes with even and odd parity. Our analysis provides a unified interpretation of several observations, including coherence-enhanced heat flux and negative differential thermal conductance. The results will have broad implications for the fine control of energy transfer in nano-structural devices. PMID:26152705

Using multiple travel paths to estimate daily travel distance in arboreal, group-living primates.

PubMed

Steel, Ruth Irene

2015-01-01

Primate field studies often estimate daily travel distance (DTD) in order to estimate energy expenditure and/or test foraging hypotheses. In group-living species, the center of mass (CM) method is traditionally used to measure DTD; a point is marked at the group's perceived center of mass at a set time interval or upon each move, and the distance between consecutive points is measured and summed. However, for groups using multiple travel paths, the CM method potentially creates a central path that is shorter than the individual paths and/or traverses unused areas. These problems may compromise tests of foraging hypotheses, since distance and energy expenditure could be underestimated. To better understand the magnitude of these potential biases, I designed and tested the multiple travel paths (MTP) method, in which DTD was calculated by recording all travel paths taken by the group's members, weighting each path's distance based on its proportional use by the group, and summing the weighted distances. To compare the MTP and CM methods, DTD was calculated using both methods in three groups of Udzungwa red colobus monkeys (Procolobus gordonorum; group size 30-43) for a random sample of 30 days between May 2009 and March 2010. Compared to the CM method, the MTP method provided significantly longer estimates of DTD that were more representative of the actual distance traveled and the areas used by a group. The MTP method is more time-intensive and requires multiple observers compared to the CM method. However, it provides greater accuracy for testing ecological and foraging models.

Self-interaction correction in multiple scattering theory: application to transition metal oxides

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

Daene, Markus W; Lueders, Martin; Ernst, Arthur

2009-01-01

We apply to transition metal monoxides the self-interaction corrected (SIC) local spin density (LSD) approximation, implemented locally in the multiple scattering theory within the Korringa-Kohn-Rostoker (KKR) band structure method. The calculated electronic structure and in particular magnetic moments and energy gaps are discussed in reference to the earlier SIC results obtained within the LMTO-ASA band structure method, involving transformations between Bloch and Wannier representations to solve the eigenvalue problem and calculate the SIC charge and potential. Since the KKR can be easily extended to treat disordered alloys, by invoking the coherent potential approximation (CPA), in this paper we compare themore » CPA approach and supercell calculations to study the electronic structure of NiO with cation vacancies.« less

WWREX: A case study in the development of Internet E-Commerce in the energy industry

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

Yeich, K.; Horner, D.; Dunn, A.

Even more so than the World Wide Web, the utility industry is undergoing a massive deregulation that is turning it into a Wild West environment that has fostered fierce competition, new technology and new services in the energy marketplace. It has become increasingly complex for consumers, suppliers and utilities to buy and sell energy at the best prices. With the help of the Internet, Per-Se Technologies and North American Power have developed the World Wide Retail Energy eXchange (WWREX): a real-time, Web-based electronic commerce application that matches suppliers of electricity and natural gas with potential customers online. This service ismore » the first online application to facilitate the buying and selling of energy via the Internet. Designed to take advantage of the deregulated utilities marketplace, REX benefits multiple market players. With REX, business energy consumers can buy energy at the best price, from multiple suppliers and with significant time and cost reductions. Suppliers can instantly access new customer bases and close efficient, bulk transactions without the traditional sales and marketing costs associated with selling to a diverse set of consumers. The challenges and solutions of this project illustrate the technologies and techniques in creating a viable E-Commerce application. The resulting system provides effective electronic commerce and solves a critical business need at a relatively low cost.« less

Multiplicities of charged hadrons in 280 GeV/c muon-proton scattering

NASA Astrophysics Data System (ADS)

Arneodo, M.; Arvidson, A.; Aubert, J. J.; Badelek, B.; Beaufays, J.; Becks, K. H.; Bee, C. P.; Benchouk, C.; Berghoff, G.; Bird, I.; Blum, D.; Böhm, E.; De Bouard, X.; Brasse, F. W.; Braun, H.; Broll, C.; Brown, S.; Brück, H.; Calen, H.; Callebaut, D.; Chima, J. S.; Ciborowski, J.; Clifft, R.; Coignet, G.; Combley, F.; Coughlan, J.; D'Agostini, G.; Dahlgren, S.; Dengler, F.; Derado, I.; Dreyer, T.; Drees, J.; Düren, M.; Eckardt, V.; Edwards, A.; Edwards, M.; Ernst, T.; Eszes, G.; Favier, J.; Ferrero, M. I.; Figiel, J.; Flauger, W.; Foster, J.; Gabathuler, E.; Gajewski, J.; Gamet, R.; Gayler, J.; Geddes, N.; Giubellino, P.; Grafström, P.; Grard, F.; Hass, J.; Hagberg, E.; Hasert, F. J.; Hayman, P.; Heusse, P.; Hoppe, C.; Jaffré, M.; Jacholkowska, A.; Janata, F.; Jancso, G.; Johnson, A. S.; Kabuss, E. M.; Kellner, G.; Kesteman, J.; Korbel, V.; Krüger, J.; Kullander, S.; Landgraf, U.; Lanske, D.; Loken, J.; Long, K.; Maire, M.; Manz, A.; Mohr, W.; Montanet, F.; Montgomery, H. E.; Nagy, E.; Nassalski, J.; Norton, P. R.; Oakham, F. G.; Osborne, A. M.; Pascaud, C.; Pawlik, B.; Payre, P.; Peroni, C.; Pessard, H.; Pettingale, J.; Pietrzyk, B.; Pönsgen, B.; Pötsch, M.; Renton, P.; Ribarics, P.; Rith, K.; Rondio, E.; Scheer, M.; Schlagböhmer, A.; Schiemann, H.; Schmitz, N.; Schneegans, M.; Schröder, T.; Schouten, M.; Schultze, K.; Sholz, M.; Sloan, T.; Stier, H. E.; Stockhausen, W.; Studt, M.; Taylor, G. N.; Thénard, J. M.; Thompson, J. C.; De La Torre, A.; Toth, J.; Urban, L.; Urban, L.; Wahlen, H.; Wallucks, W.; Whalley, M.; Wheeler, S.; Williams, W. S. C.; Wimpenny, S. J.; Windmolders, R.; Wolf, G.; European Muon Collaboration

Properties of the hadron multiplicity distributions in 280 GeV/ c μ +p interactions have been investigated. The c.m. energy dependence in the range from 4 to 20 GeV of the total charged multiplicities are presented. No variation faster than logarithmic is seen in the energy range of this experiment. Comparison with νp and overlineνp data at lower energy has been made and shows good agreement between μ +p and overlineνp total charged multiplicities. It has been found that the average forward multiplicity (charged hadrons with xF > 0) exceeds the average backward multiplicity (charged hadrons with xF < 0) in the whole energy range and presents a different energy variation. The average forward multiplicity has been compared to e +e - data and shows a similar dependence on energy. Little correlation was observed between the forward and backward multiplicities indicating that the current and target regions fragment almost independently.

Optical-model abrasion cross sections for high-energy heavy ions

NASA Technical Reports Server (NTRS)

Townsend, L. W.

1981-01-01

Within the context of eikonal scattering theory, a generalized optical model potential approximation to the nucleus-nucleus multiple scattering series is used in an abrasion-ablation collision model to predict abrasion cross sections for relativistic projectile heavy ions. Unlike the optical limit of Glauber theory, which cannot be used for very light nuclei, the abrasion formalism is valid for any projectile target combination at any incident kinetic energy for which eikonal scattering theory can be utilized. Results are compared with experimental results and predictions from Glauber theory.

Ubiquity of quantum zero-point fluctuations in dislocation glide

NASA Astrophysics Data System (ADS)

Landeiro Dos Reis, Marie; Choudhury, Anshuman; Proville, Laurent

2017-03-01

Modeling the dislocation glide through atomic scale simulations in Al, Cu, and Ni and in solid solution alloys Al(Mg) and Cu(Ag), we show that in the course of the plastic deformation the variation of the crystal zero-point energy (ZPE) and the dislocation potential energy barriers are of opposite sign. The multiplicity of situations where we have observed the same trend allows us to conclude that quantum fluctuations, giving rise to the crystal ZPE, make easier the dislocation glide in most materials, even those constituted of atoms heavier than H and He.

Nuclear fragmentation energy and momentum transfer distributions in relativistic heavy-ion collisions

NASA Technical Reports Server (NTRS)

Khandelwal, Govind S.; Khan, Ferdous

1989-01-01

An optical model description of energy and momentum transfer in relativistic heavy-ion collisions, based upon composite particle multiple scattering theory, is presented. Transverse and longitudinal momentum transfers to the projectile are shown to arise from the real and absorptive part of the optical potential, respectively. Comparisons of fragment momentum distribution observables with experiments are made and trends outlined based on our knowledge of the underlying nucleon-nucleon interaction. Corrections to the above calculations are discussed. Finally, use of the model as a tool for estimating collision impact parameters is indicated.

Self-Biased Hybrid Piezoelectric-Photoelectrochemical Cell with Photocatalytic Functionalities.

PubMed

Tan, Chuan Fu; Ong, Wei Li; Ho, Ghim Wei

2015-07-28

Utilizing solar energy for environmental and energy remediations based on photocatalytic hydrogen (H2) generation and water cleaning poses great challenges due to inadequate visible-light power conversion, high recombination rate, and intermittent availability of solar energy. Here, we report an energy-harvesting technology that utilizes multiple energy sources for development of sustainable operation of dual photocatalytic reactions. The fabricated hybrid cell combines energy harvesting from light and vibration to run a power-free photocatalytic process that exploits novel metal-semiconductor branched heterostructure (BHS) of its visible light absorption, high charge-separation efficiency, and piezoelectric properties to overcome the aforementioned challenges. The desirable characteristics of conductive flexible piezoelectrode in conjunction with pronounced light scattering of hierarchical structure originate intrinsically from the elaborate design yet facile synthesis of BHS. This self-powered photocatalysis system could potentially be used as H2 generator and water treatment system to produce clean energy and water resources.

Retarding field energy analyzer for high energy pulsed electron beam measurements.

PubMed

Hu, Jing; Rovey, Joshua L; Zhao, Wansheng

2017-01-01

A retarding field energy analyzer (RFEA) designed specifically for high energy pulsed electron beam measurements is described in this work. By proper design of the entrance grid, attenuation grid, and beam collector, this RFEA is capable of determining the time-resolved energy distribution of high energy pulsed electron beams normally generated under "soft vacuum" environment. The performance of the RFEA is validated by multiple tests of the leakage current, attenuation coefficient, and response time. The test results show that the retarding potential in the RFEA can go up to the same voltage as the electron beam source, which is 20 kV for the maximum in this work. Additionally, an attenuation coefficient of 4.2 is obtained in the RFEA while the percent difference of the rise time of the electron beam pulse before and after attenuation is lower than 10%. When compared with a reference source, the percent difference of the RFEA response time is less than 10% for fall times greater than 35 ns. Finally, the test results of the 10 kV pseudospark-based pulsed electron beam currents collected under varying retarding potentials are presented in this paper.

Geophysical potential for wind energy over the open oceans

PubMed Central

2017-01-01

Wind turbines continuously remove kinetic energy from the lower troposphere, thereby reducing the wind speed near hub height. The rate of electricity generation in large wind farms containing multiple wind arrays is, therefore, constrained by the rate of kinetic energy replenishment from the atmosphere above. In recent years, a growing body of research argues that the rate of generated power is limited to around 1.5 W m−2 within large wind farms. However, in this study, we show that considerably higher power generation rates may be sustainable over some open ocean areas. In particular, the North Atlantic is identified as a region where the downward transport of kinetic energy may sustain extraction rates of 6 W m−2 and above over large areas in the annual mean. Furthermore, our results indicate that the surface heat flux from the oceans to the atmosphere may play an important role in creating regions where sustained high rates of downward transport of kinetic energy and thus, high rates of kinetic energy extraction may be geophysical possible. While no commercial-scale deep water wind farms yet exist, our results suggest that such technologies, if they became technically and economically feasible, could potentially provide civilization-scale power. PMID:29073053

Geophysical potential for wind energy over the open oceans.

PubMed

Possner, Anna; Caldeira, Ken

2017-10-24

Wind turbines continuously remove kinetic energy from the lower troposphere, thereby reducing the wind speed near hub height. The rate of electricity generation in large wind farms containing multiple wind arrays is, therefore, constrained by the rate of kinetic energy replenishment from the atmosphere above. In recent years, a growing body of research argues that the rate of generated power is limited to around 1.5 W m -2 within large wind farms. However, in this study, we show that considerably higher power generation rates may be sustainable over some open ocean areas. In particular, the North Atlantic is identified as a region where the downward transport of kinetic energy may sustain extraction rates of 6 W m -2 and above over large areas in the annual mean. Furthermore, our results indicate that the surface heat flux from the oceans to the atmosphere may play an important role in creating regions where sustained high rates of downward transport of kinetic energy and thus, high rates of kinetic energy extraction may be geophysical possible. While no commercial-scale deep water wind farms yet exist, our results suggest that such technologies, if they became technically and economically feasible, could potentially provide civilization-scale power.

Plasmonically enhanced electromotive force of narrow bandgap PbS QD-based photovoltaics.

PubMed

Li, Xiaowei; McNaughter, Paul D; O'Brien, Paul; Minamimoto, Hiro; Murakoshi, Kei

2018-05-30

Electromotive force of photovoltaics is a key to define the output power density of photovoltaics. Multiple exciton generation (MEG) exhibited by semiconductor quantum dots (QDs) has great potential to enhance photovoltaic performance owing to the ability to generate more than one electron-hole pairs when absorbing a single photon. However, even in MEG-based photovoltaics, limitation of modifying the electromotive force exists due to the intrinsic electrochemical potential of the conduction band-edges of QDs. Here we report a pronouncedly improved photovoltaic performance by constructing a PbS QD-sensitized electrode that comprises plasmon-active Au nanoparticles embedded in a titanium dioxide thin film. Significant enhancement on electromotive force is characterized by the onset potential of photocurrent generation using MEG-effective PbS QDs with a narrow bandgap energy (Eg = 0.9 eV). By coupling with localized surface plasmon resonance (LSPR), such QDs exhibit improved photoresponses and the highest output power density over the other QDs with larger bandgap energies (Eg = 1.1 and 1.7 eV) under visible light irradiation. The wavelength-dependent onset potential and the output power density suggest effective electron injection owing to the enhanced density of electrons excited by energy overlapping between MEG and LSPR.

Scattering of charged particles on two spatially separated time-periodic optical fields

NASA Astrophysics Data System (ADS)

Szabó, Lóránt Zs.; Benedict, Mihály G.; Földi, Péter

2017-12-01

We consider a monoenergetic beam of moving charged particles interacting with two separated oscillating electric fields. Time-periodic linear potential is assumed to model the light-particle interaction using a nonrelativistic, quantum mechanical description based on Gordon-Volkov states. Applying Floquet theory, we calculate transmission probabilities as a function of the laser field parameters. The transmission resonances in this Ramsey-like setup are interpreted as if they originated from a corresponding static double-potential barrier with heights equal to the ponderomotive potential resulting from the oscillating field. Due to the opening of new "Floquet channels," the resonances are repeated at input energies when the corresponding frequency is shifted by an integer multiple of the exciting frequency. These narrow resonances can be used as precise energy filters. The fine structure of the transmission spectra is determined by the phase difference between the two oscillating light fields, allowing for the optical control of the transmission.

Feasibility of constraining the curvature parameter of the symmetry energy using elliptic flow data

NASA Astrophysics Data System (ADS)

Cozma, M. D.

2018-03-01

A QMD transport model that employs a modified momentum dependent interaction (MDI2) potential, supplemented by a phase-space coalescence model fitted to FOPI experimental multiplicities of free nucleons and light clusters is used to study the density dependence of the symmetry energy above the saturation point by a comparison with experimental elliptic flow ratios measured by the FOPI-LAND and ASYEOS Collaborations in 197Au + 197Au collisions at 400 MeV/nucleon impact energy. A previous calculation using the same model has proven that neutron-to-proton and neutron-to-charged-particles elliptic flow ratios probe on average different densities allowing in principle the extraction of both the slope L and curvature K_{sym} parameters of the symmetry energy. To make use of this result a Gogny interaction inspired potential is modified by the addition of a density dependent, momentum independent term, while enforcing a close description of the empirical nucleon optical potential, allowing independent modifications of L and Ksym. Comparing theoretical predictions with experimental data for neutron-to-proton and neutron-to-charged-particles elliptic flow ratios the following constraint is extracted: L = 85 ± 22(exp) ± 20(th) ± 12(sys) MeV and K_{sym} = 96 ± 315(exp) ± 170(th) ± 166(sys) MeV. Theoretical errors include effects due to uncertainties in the isoscalar part of the equation of state, value of the isovector neutron-proton effective mass splitting, in-medium effects on the elastic nucleon-nucleon cross-sections, Pauli blocking algorithm variants and scenario considered for the conservation of the total energy of the system. Systematical uncertainties are generated by the inability of the transport model to reproduce experimental light-cluster-to-proton multiplicity ratios. A value for L free of systematical theoretical uncertainties can be extracted from the neutron-to-proton elliptic flow ratio alone: L = 84 ± 30(exp) ± 19(th) MeV. It is demonstrated that elliptic flow ratios reach a maximum sensitivity on the K_{sym} parameter in heavy-ion collisions of about 250 MeV/nucleon impact energy, allowing a reduction of its experimental component of uncertainty to about 150 MeV.

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

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

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Hauser-Feshbach fission fragment de-excitation with calculated macroscopic-microscopic mass yields

DOE PAGES

Jaffke, Patrick John; Talou, Patrick; Sierk, Arnold John; ...

2018-03-15

The Hauser-Feshbach statistical model is applied to the de-excitation of primary fission fragments using input mass yields calculated with macroscopic-microscopic models of the potential energy surface. We test the sensitivity of the prompt fission observables to the input mass yields for two important reactions, 235U (n th, f) and 239Pu (n th, f) , for which good experimental data exist. General traits of the mass yields, such as the location of the peaks and their widths, can impact both the prompt neutron and γ-ray multiplicities, as well as their spectra. Specifically, we use several mass yields to determine a linear correlation between the calculated prompt neutron multiplicitymore » $$\\bar{v}$$ and the average heavy-fragment mass $$\\langle$$A h$$\\rangle$$ of the input mass yields ∂$$\\bar{v}$$/∂ $$\\langle$$A h$$\\rangle$$ = ± 0.1 (n / f )/u . The mass peak width influences the correlation between the total kinetic energy of the fission fragments and the total number of prompt neutrons emitted, $$\\bar{v}_T$$ ( TKE ) . Finally, typical biases on prompt particle observables from using calculated mass yields instead of experimental ones are δ$$\\bar{v}$$ = 4 % for the average prompt neutron multiplicity, δ$$\\overline{M}_γ$$ = 1% for the average prompt γ-ray multiplicity, δ$$\\bar{ε}$$ $$LAB\\atop{n}$$ = 1 % for the average outgoing neutron energy, δ$$\\bar{ε}_γ$$ = 1 % for the average γ-ray energy, and δ $$\\langle$$TKE$$\\rangle$$ = 0.4 % for the average total kinetic energy of the fission fragments.« less

Linearized inversion of multiple scattering seismic energy

NASA Astrophysics Data System (ADS)

Aldawood, Ali; Hoteit, Ibrahim; Zuberi, Mohammad

2014-05-01

Internal multiples deteriorate the quality of the migrated image obtained conventionally by imaging single scattering energy. So, imaging seismic data with the single-scattering assumption does not locate multiple bounces events in their actual subsurface positions. However, imaging internal multiples properly has the potential to enhance the migrated image because they illuminate zones in the subsurface that are poorly illuminated by single scattering energy such as nearly vertical faults. Standard migration of these multiples provides subsurface reflectivity distributions with low spatial resolution and migration artifacts due to the limited recording aperture, coarse sources and receivers sampling, and the band-limited nature of the source wavelet. The resultant image obtained by the adjoint operator is a smoothed depiction of the true subsurface reflectivity model and is heavily masked by migration artifacts and the source wavelet fingerprint that needs to be properly deconvolved. Hence, we proposed a linearized least-square inversion scheme to mitigate the effect of the migration artifacts, enhance the spatial resolution, and provide more accurate amplitude information when imaging internal multiples. The proposed algorithm uses the least-square image based on single-scattering assumption as a constraint to invert for the part of the image that is illuminated by internal scattering energy. Then, we posed the problem of imaging double-scattering energy as a least-square minimization problem that requires solving the normal equation of the following form: GTGv = GTd, (1) where G is a linearized forward modeling operator that predicts double-scattered seismic data. Also, GT is a linearized adjoint operator that image double-scattered seismic data. Gradient-based optimization algorithms solve this linear system. Hence, we used a quasi-Newton optimization technique to find the least-square minimizer. In this approach, an estimate of the Hessian matrix that contains curvature information is modified at every iteration by a low-rank update based on gradient changes at every step. At each iteration, the data residual is imaged using GT to determine the model update. Application of the linearized inversion to synthetic data to image a vertical fault plane demonstrate the effectiveness of this methodology to properly delineate the vertical fault plane and give better amplitude information than the standard migrated image using the adjoint operator that takes into account internal multiples. Thus, least-square imaging of multiple scattering enhances the spatial resolution of the events illuminated by internal scattering energy. It also deconvolves the source signature and helps remove the fingerprint of the acquisition geometry. The final image is obtained by the superposition of the least-square solution based on single scattering assumption and the least-square solution based on double scattering assumption.

Nonlinear ionic transport through microstructured solid electrolytes: homogenization estimates

NASA Astrophysics Data System (ADS)

Curto Sillamoni, Ignacio J.; Idiart, Martín I.

2016-10-01

We consider the transport of multiple ionic species by diffusion and migration through microstructured solid electrolytes in the presence of strong electric fields. The assumed constitutive relations for the constituent phases follow from convex energy and dissipation potentials which guarantee thermodynamic consistency. The effective response is heuristically deduced from a multi-scale convergence analysis of the relevant field equations. The resulting homogenized response involves an effective dissipation potential per species. Each potential is mathematically akin to that of a standard nonlinear heterogeneous conductor. A ‘linear-comparison’ homogenization technique is then used to generate estimates for these nonlinear potentials in terms of available estimates for corresponding linear conductors. By way of example, use is made of the Maxwell-Garnett and effective-medium linear approximations to generate estimates for two-phase systems with power-law dissipation. Explicit formulas are given for some limiting cases. In the case of threshold-type behavior, the estimates exhibit non-analytical dilute limits and seem to be consistent with fields localized in low energy paths.

High-Performance Solid-State Thermionic Energy Conversion Based on 2D van der Waals Heterostructures: A First-Principles Study.

PubMed

Wang, Xiaoming; Zebarjadi, Mona; Esfarjani, Keivan

2018-06-18

Two-dimensional (2D) van der Waals heterostructures (vdWHs) have shown multiple functionalities with great potential in electronics and photovoltaics. Here, we show their potential for solid-state thermionic energy conversion and demonstrate a designing strategy towards high-performance devices. We propose two promising thermionic devices, namely, the p-type Pt-G-WSe 2 -G-Pt and n-type Sc-WSe 2 -MoSe 2 -WSe 2 -Sc. We characterize the thermionic energy conversion performance of the latter using first-principles GW calculations combined with real space Green's function (GF) formalism. The optimal barrier height and high thermal resistance lead to an excellent performance. The proposed device is found to have a room temperature equivalent figure of merit of 1.2 which increases to 3 above 600 K. A high performance with cooling efficiency over 30% of the Carnot efficiency above 450 K is achieved. Our designing and characterization method can be used to pursue other potential thermionic devices based on vdWHs.

Co-existence of multiple trade-off currencies shapes evolutionary outcomes

PubMed Central

Isaksson, Caroline; Salguero-Gómez, Roberto

2017-01-01

Evolutionary studies often assume that energy is the primary resource (i.e. “currency”) at the heart of the survival-reproduction trade-off, despite recent evidence to the contrary. The evolutionary consequences of having a single trade-off currency versus multiple competing currencies are unknown. Using simulations, we modeled the evolution of either a single physiological currency between reproduction and survival, or of multiple such currencies. For a wide array of model specifications varying functional forms and strengths of the trade-offs, we show that the presence of multiple currencies (e.g. nutrients, time) generally results in the evolution of higher lifetime reproductive success through partial circumvention of such trade-offs. Evolution of the underlying physiology is also more highly contingent with multiple currencies. These results challenge the paradigm of a single survival-reproduction trade-off as central to life history evolution, suggesting greater roles for physiological constraints and contingency, and implying potential selection for evolution of multiple trade-off currencies. PMID:29216275

Calculation of absolute protein-ligand binding free energy using distributed replica sampling.

PubMed

Rodinger, Tomas; Howell, P Lynne; Pomès, Régis

2008-10-21

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

Calculation of absolute protein-ligand binding free energy using distributed replica sampling

NASA Astrophysics Data System (ADS)

Rodinger, Tomas; Howell, P. Lynne; Pomès, Régis

2008-10-01

Distributed replica sampling [T. Rodinger et al., J. Chem. Theory Comput. 2, 725 (2006)] is a simple and general scheme for Boltzmann sampling of conformational space by computer simulation in which multiple replicas of the system undergo a random walk in reaction coordinate or temperature space. Individual replicas are linked through a generalized Hamiltonian containing an extra potential energy term or bias which depends on the distribution of all replicas, thus enforcing the desired sampling distribution along the coordinate or parameter of interest regardless of free energy barriers. In contrast to replica exchange methods, efficient implementation of the algorithm does not require synchronicity of the individual simulations. The algorithm is inherently suited for large-scale simulations using shared or heterogeneous computing platforms such as a distributed network. In this work, we build on our original algorithm by introducing Boltzmann-weighted jumping, which allows moves of a larger magnitude and thus enhances sampling efficiency along the reaction coordinate. The approach is demonstrated using a realistic and biologically relevant application; we calculate the standard binding free energy of benzene to the L99A mutant of T4 lysozyme. Distributed replica sampling is used in conjunction with thermodynamic integration to compute the potential of mean force for extracting the ligand from protein and solvent along a nonphysical spatial coordinate. Dynamic treatment of the reaction coordinate leads to faster statistical convergence of the potential of mean force than a conventional static coordinate, which suffers from slow transitions on a rugged potential energy surface.

Mass, charge, and energy separation by selective acceleration with a traveling potential hill

NASA Astrophysics Data System (ADS)

Tung, L. Schwager; Barr, W. L.; Lowder, R. S.; Post, R. F.

1996-10-01

A traveling electric potential hill has been used to generate an ion beam with an energy distribution that is mass dependent from a monoenergetic ion beam of mixed masses. This effect can be utilized as a novel method for mass separation applied to identification or enrichment of ions (e.g., of elements, isotopes, or molecules). This theory for mass-selective acceleration is presented here and is shown to be confirmed by experiment and by a time-dependent particle-in-cell computer simulation. Results show that monoenergetic ions with the particular mass of choice are accelerated by controlling the hill potential and the hill velocity. The hill velocity is typically 20%-30% faster than the ions to be accelerated. The ability of the hill to pickup a particular mass uses the fact that small kinetic energy differences in the lab frame appear much larger in the moving hill frame. Ions will gain energy from the approaching hill if their relative energy in the moving hill frame is less than the peak potential of the hill. The final energy of these accelerated ions can be several times the source energy, which facilitates energy filtering for mass purification or identification. If the hill potential is chosen to accelerate multiple masses, the heaviest mass will have the greatest final energy. Hence, choosing the appropriate hill potential and collector retarding voltage will isolate ions with the lightest, heaviest, or intermediate mass. In the experimental device, called a Solitron, purified 20Ne and 22Ne are extracted from a ribbon beam of neon that is originally composed of 20Ne:22Ne in the natural ratio of 91:9. The isotopic content of the processed beam is determined by measuring the energy distribution of the detected current. These results agree with the theory. In addition to mass selectivity, our theory can also be applied to the filtration of an ion beam according to charge state or energy. Because of this variety of properties, the Solitron is envisioned to have broad applications. The primary application is for the enrichment of stable isotopes for medical and industrial tracers. Other applications include mass analysis of unknown gases (atomic and molecular) and metals, extracting single charge states from a multiply charged beam, accelerating the high energy tail in a beam or plasma with a velocity distribution, and beam bunching.

Multiple time step integrators in ab initio molecular dynamics.

PubMed

Luehr, Nathan; Markland, Thomas E; Martínez, Todd J

2014-02-28

Multiple time-scale algorithms exploit the natural separation of time-scales in chemical systems to greatly accelerate the efficiency of molecular dynamics simulations. Although the utility of these methods in systems where the interactions are described by empirical potentials is now well established, their application to ab initio molecular dynamics calculations has been limited by difficulties associated with splitting the ab initio potential into fast and slowly varying components. Here we present two schemes that enable efficient time-scale separation in ab initio calculations: one based on fragment decomposition and the other on range separation of the Coulomb operator in the electronic Hamiltonian. We demonstrate for both water clusters and a solvated hydroxide ion that multiple time-scale molecular dynamics allows for outer time steps of 2.5 fs, which are as large as those obtained when such schemes are applied to empirical potentials, while still allowing for bonds to be broken and reformed throughout the dynamics. This permits computational speedups of up to 4.4x, compared to standard Born-Oppenheimer ab initio molecular dynamics with a 0.5 fs time step, while maintaining the same energy conservation and accuracy.

Comparative Evaluation of Financing Programs: Insights From California’s Experience

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

Deason, Jeff

Berkeley Lab examines criteria for a comparative assessment of multiple financing programs for energy efficiency, developed through a statewide public process in California. The state legislature directed the California Alternative Energy and Advanced Transportation Financing Authority (CAEATFA) to develop these criteria. CAEATFA's report to the legislature, an invaluable reference for other jurisdictions considering these topics, discusses the proposed criteria and the rationales behind them in detail. Berkeley Lab's brief focuses on several salient issues that emerged during the criteria development and discussion process. Many of these issues are likely to arise in other states that plan to evaluate the impactsmore » of energy efficiency financing programs, whether for a single program or multiple programs. Issues discussed in the brief include: -The stakeholder process to develop the proposed assessment criteria -Attribution of outcomes - such as energy savings - to financing programs vs. other drivers -Choosing the outcome metric of primary interest: program take-up levels vs. savings -The use of net benefits vs. benefit-cost ratios for cost-effectiveness evaluation -Non-energy factors -Consumer protection factors -Market transformation impacts -Accommodating varying program goals in a multi-program evaluation -Accounting for costs and risks borne by various parties, including taxpayers and utility customers, in cost-effectiveness analysis -How to account for potential synergies among programs in a multi-program evaluation« less

Decision Analysis and Policy Formulation for Technology-Specific Renewable Energy Targets

NASA Astrophysics Data System (ADS)

Okioga, Irene Teshamulwa

This study establishes a decision making procedure using Analytic Hierarchy Process (AHP) for a U.S. national renewable portfolio standard, and proposes technology-specific targets for renewable electricity generation for the country. The study prioritizes renewable energy alternatives based on a multi-perspective view: from the public, policy makers, and investors' points-of-view, and uses multiple criteria for ranking the alternatives to generate a unified prioritization scheme. During this process, it considers a 'quadruple bottom-line' approach (4P), i.e. reflecting technical "progress", social "people", economic 'profits", and environmental "planet" factors. The AHP results indicated that electricity generation from solar PV ranked highest, and biomass energy ranked lowest. A "Benefits/Cost Incentives/Mandates" (BCIM) model was developed to identify where mandates are needed, and where incentives would instead be required to bring down costs for technologies that have potential for profitable deployment. The BCIM model balances the development of less mature renewable energy technologies, without the potential for rising near-term electricity rates for consumers. It also ensures that recommended policies do not lead to growth of just one type of technology--the "highest-benefit, least-cost" technology. The model indicated that mandates would be suited for solar PV, and incentives generally for geothermal and concentrated solar power. Development for biomass energy, as a "low-cost, low-benefits" alternative was recommended at a local rather than national level, mainly due to its low resource potential values. Further, biomass energy generated from wastewater treatment plants (WWTPs) had the least resource potential compared to other biomass sources. The research developed methodologies and recommendations for biogas electricity targets at WWTPs, to take advantage of the waste-to-energy opportunities.

Integration and Optimization of Alternative Sources of Energy in a Remote Region

NASA Astrophysics Data System (ADS)

Berberi, Pellumb; Inodnorjani, Spiro; Aleti, Riza

2010-01-01

In a remote coastal region supply of energy from national grid is insufficient for a sustainable development. Integration and optimization of local alternative renewable energy sources is an optional solution of the problem. In this paper we have studied the energetic potential of local sources of renewable energy (water, solar, wind and biomass). A bottom-up energy system optimization model is proposed in order to support planning policies for promoting the use of renewable energy sources. A software, based on multiple factors and constrains analysis for optimization energy flow is proposed, which provides detailed information for exploitation each source of energy, power and heat generation, GHG emissions and end-use sectors. Economical analysis shows that with existing technologies both stand alone and regional facilities may be feasible. Improving specific legislation will foster investments from Central or Local Governments and also from individuals, private companies or small families. The study is carried on the frame work of a FP6 project "Integrated Renewable Energy System."

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

NASA Astrophysics Data System (ADS)

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Ajitanand, N. N.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Behera, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Brown, D.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chankova-Bunzarova, N.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, J. H.; Chen, X.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; De Silva, L. C.; Debbe, R. R.; Dedovich, T. G.; Deng, J.; Derevschikov, A. A.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Dunkelberger, L. E.; Dunlop, J. C.; Efimov, L. G.; Elsey, N.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Ewigleben, J.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Federicova, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fulek, L.; Gagliardi, C. A.; Garand, D.; Geurts, F.; Gibson, A.; Girard, M.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Gupta, S.; Guryn, W.; Hamad, A. I.; Hamed, A.; Harlenderova, A.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Hirsch, A.; Hoffmann, G. W.; Horvat, S.; Huang, T.; Huang, B.; Huang, X.; Huang, H. Z.; Humanic, T. J.; Huo, P.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z.; Kikoła, D. P.; Kisel, I.; Kisiel, A.; Kochenda, L.; Kocmanek, M.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Kravtsov, P.; Krueger, K.; Kulathunga, N.; Kumar, L.; Kvapil, J.; Kwasizur, J. H.; Lacey, R.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, C.; Li, W.; Li, Y.; Lidrych, J.; Lin, T.; Lisa, M. A.; Liu, H.; Liu, P.; Liu, Y.; Liu, F.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, S.; Luo, X.; Ma, G. L.; Ma, L.; Ma, Y. G.; Ma, R.; Magdy, N.; Majka, R.; Mallick, D.; Margetis, S.; Markert, C.; Matis, H. S.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mizuno, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nie, M.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pile, P.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Poskanzer, A. M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Qiu, H.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Salur, S.; Sandweiss, J.; Saur, M.; Schambach, J.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Schweid, B. R.; Seger, J.; Sergeeva, M.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Sharma, A.; Sharma, M. K.; Shen, W. Q.; Shi, Z.; Shi, S. S.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, N.; Smirnov, D.; Solyst, W.; Song, L.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Strikhanov, M.; Stringfellow, B.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, Y.; Sun, X. M.; Sun, X.; Surrow, B.; Svirida, D. N.; Tang, A. H.; Tang, Z.; Taranenko, A.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vasiliev, A. N.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Webb, J. C.; Webb, G.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, W.; Xie, G.; Xu, J.; Xu, N.; Xu, Q. H.; Xu, Y. F.; Xu, Z.; Yang, Y.; Yang, Q.; Yang, C.; Yang, S.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, Z.; Zhang, X. P.; Zhang, J. B.; Zhang, S.; Zhang, J.; Zhang, Y.; Zhang, J.; Zhang, S.; Zhao, J.; Zhong, C.; Zhou, L.; Zhou, C.; Zhu, X.; Zhu, Z.; Zyzak, M.; STAR Collaboration

2017-10-01

We present measurements of bulk properties of the matter produced in Au+Au collisions at √{sN N}=7.7 ,11.5 ,19.6 ,27 , and 39 GeV using identified hadrons (π±, K±, p , and p ¯) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (|y |<0.1 ) results for multiplicity densities d N /d y , average transverse momenta 〈pT〉 , and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.

Limiting the public cost of stationary battery deployment by combining applications

NASA Astrophysics Data System (ADS)

Stephan, A.; Battke, B.; Beuse, M. D.; Clausdeinken, J. H.; Schmidt, T. S.

2016-07-01

Batteries could be central to low-carbon energy systems with high shares of intermittent renewable energy sources. However, the investment attractiveness of batteries is still perceived as low, eliciting calls for policy to support deployment. Here we show how the cost of battery deployment can potentially be minimized by introducing an aspect that has been largely overlooked in policy debates and underlying analyses: the fact that a single battery can serve multiple applications. Batteries thereby can not only tap into different value streams, but also combine different risk exposures. To address this gap, we develop a techno-economic model and apply it to the case of lithium-ion batteries serving multiple stationary applications in Germany. Our results show that batteries could be attractive for investors even now if non-market barriers impeding the combination of applications were removed. The current policy debate should therefore be refocused so as to encompass the removal of such barriers.

Quantum propagation and confinement in 1D systems using the transfer-matrix method

NASA Astrophysics Data System (ADS)

Pujol, Olivier; Carles, Robert; Pérez, José-Philippe

2014-05-01

The aim of this article is to provide some Matlab scripts to the teaching community in quantum physics. The scripts are based on the transfer-matrix formalism and offer a very efficient and versatile tool to solve problems of a physical object (electron, proton, neutron, etc) with one-dimensional (1D) stationary potential energy. Resonant tunnelling through a multiple-barrier or confinement in wells of various shapes is particularly analysed. The results are quantitatively discussed with semiconductor heterostructures, harmonic and anharmonic molecular vibrations, or neutrons in a gravity field. Scripts and other examples (hydrogen-like ions and transmission by a smooth variation of potential energy) are available freely at http://www-loa.univ-lille1.fr/˜pujol in three languages: English, French and Spanish.

Global Potential for Hydro-generated Electricity and Climate Change Impact

NASA Astrophysics Data System (ADS)

Zhou, Y.; Hejazi, M. I.; Leon, C.; Calvin, K. V.; Thomson, A. M.; Li, H. Y.

2014-12-01

Hydropower is a dominant renewable energy source at the global level, accounting for more than 15% of the world's total power supply. It is also very vulnerable to climate change. Improved understanding of climate change impact on hydropower can help develop adaptation measures to increase the resilience of energy system. In this study, we developed a comprehensive estimate of global hydropower potential using runoff and stream flow data derived from a global hydrologic model with a river routing sub-model, along with turbine technology performance, cost assumptions, and environmental consideration (Figure 1). We find that hydropower has the potential to supply a significant portion of the world energy needs, although this potential varies substantially by regions. Resources in a number of countries exceed by multiple folds the total current demand for electricity, e.g., Russia and Indonesia. A sensitivity analysis indicates that hydropower potential can be highly sensitive to a number of parameters including designed flow for capacity, cost and financing, turbine efficiency, and stream flow. The climate change impact on hydropower potential was evaluated by using runoff outputs from 4 climate models (HadCM3, PCM, CGCM2, and CSIRO2). It was found that the climate change on hydropower shows large variation not only by regions, but also climate models, and this demonstrates the importance of incorporating climate change into infrastructure-planning at the regional level though the existing uncertainties.

46 CFR 111.10-5 - Multiple energy sources.

Code of Federal Regulations, 2010 CFR

2010-10-01

... 46 Shipping 4 2010-10-01 2010-10-01 false Multiple energy sources. 111.10-5 Section 111.10-5...-GENERAL REQUIREMENTS Power Supply § 111.10-5 Multiple energy sources. Failure of any single generating set energy source such as a boiler, diesel, gas turbine, or steam turbine must not cause all generating sets...

46 CFR 111.10-5 - Multiple energy sources.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 46 Shipping 4 2011-10-01 2011-10-01 false Multiple energy sources. 111.10-5 Section 111.10-5...-GENERAL REQUIREMENTS Power Supply § 111.10-5 Multiple energy sources. Failure of any single generating set energy source such as a boiler, diesel, gas turbine, or steam turbine must not cause all generating sets...

46 CFR 111.10-5 - Multiple energy sources.

Code of Federal Regulations, 2013 CFR

2013-10-01

... 46 Shipping 4 2013-10-01 2013-10-01 false Multiple energy sources. 111.10-5 Section 111.10-5...-GENERAL REQUIREMENTS Power Supply § 111.10-5 Multiple energy sources. Failure of any single generating set energy source such as a boiler, diesel, gas turbine, or steam turbine must not cause all generating sets...

46 CFR 111.10-5 - Multiple energy sources.

Code of Federal Regulations, 2014 CFR

2014-10-01

... 46 Shipping 4 2014-10-01 2014-10-01 false Multiple energy sources. 111.10-5 Section 111.10-5...-GENERAL REQUIREMENTS Power Supply § 111.10-5 Multiple energy sources. Failure of any single generating set energy source such as a boiler, diesel, gas turbine, or steam turbine must not cause all generating sets...

46 CFR 111.10-5 - Multiple energy sources.

Code of Federal Regulations, 2012 CFR

2012-10-01

... 46 Shipping 4 2012-10-01 2012-10-01 false Multiple energy sources. 111.10-5 Section 111.10-5...-GENERAL REQUIREMENTS Power Supply § 111.10-5 Multiple energy sources. Failure of any single generating set energy source such as a boiler, diesel, gas turbine, or steam turbine must not cause all generating sets...

Merits of flywheels for spacecraft energy storage

NASA Technical Reports Server (NTRS)

Gross, S.

1984-01-01

Flywheel energy storage systems which have a very good potential for use in spacecraft are discussed. This system can be superior to alkaline secondary batteries and regenerable fuel cells in most of the areas that are important in spacecraft applications. Of special importance, relative to batteries, are lighter weight, longer cycle and operating life, and high efficiency which minimizes solar array size and the amount of orbital makeup fuel required. Flywheel systems have a long shelf life, give a precise state of charge indication, have modest thermal control needs, are capable of multiple discharges per orbit, have simple ground handling needs, and have characteristics which would be useful for military applications. The major disadvantages of flywheel energy storage systems are that: power is not available during the launch phase without special provisions; and in flight failure of units may force shutdown of good counter rotating units, amplifying the effects of failure and limiting power distribution system options; no inherent emergency power capability unless specifically designed for, and a high level of complexity compared with batteries. The potential advantages of the flywheel energy storage system far outweigh the disadvantages.

Minimizing energy dissipation of matrix multiplication kernel on Virtex-II

NASA Astrophysics Data System (ADS)

Choi, Seonil; Prasanna, Viktor K.; Jang, Ju-wook

2002-07-01

In this paper, we develop energy-efficient designs for matrix multiplication on FPGAs. To analyze the energy dissipation, we develop a high-level model using domain-specific modeling techniques. In this model, we identify architecture parameters that significantly affect the total energy (system-wide energy) dissipation. Then, we explore design trade-offs by varying these parameters to minimize the system-wide energy. For matrix multiplication, we consider a uniprocessor architecture and a linear array architecture to develop energy-efficient designs. For the uniprocessor architecture, the cache size is a parameter that affects the I/O complexity and the system-wide energy. For the linear array architecture, the amount of storage per processing element is a parameter affecting the system-wide energy. By using maximum amount of storage per processing element and minimum number of multipliers, we obtain a design that minimizes the system-wide energy. We develop several energy-efficient designs for matrix multiplication. For example, for 6×6 matrix multiplication, energy savings of upto 52% for the uniprocessor architecture and 36% for the linear arrary architecture is achieved over an optimized library for Virtex-II FPGA from Xilinx.

Trajectory study of supercollision relaxation in highly vibrationally excited pyrazine and CO2.

PubMed

Li, Ziman; Sansom, Rebecca; Bonella, Sara; Coker, David F; Mullin, Amy S

2005-09-01

Classical trajectory calculations were performed to simulate state-resolved energy transfer experiments of highly vibrationally excited pyrazine (E(vib) = 37,900 cm(-1)) and CO(2), which were conducted using a high-resolution transient infrared absorption spectrometer. The goal here is to use classical trajectories to simulate the supercollision energy transfer pathway wherein large amounts of energy are transferred in single collisions in order to compare with experimental results. In the trajectory calculations, Newton's laws of motion are used for the molecular motion, isolated molecules are treated as collections of harmonic oscillators, and intermolecular potentials are formed by pairwise Lennard-Jones potentials. The calculations qualitatively reproduce the observed energy partitioning in the scattered CO(2) molecules and show that the relative partitioning between bath rotation and translation is dependent on the moment of inertia of the bath molecule. The simulations show that the low-frequency modes of the vibrationally excited pyrazine contribute most to the strong collisions. The majority of collisions lead to small DeltaE values and primarily involve single encounters between the energy donor and acceptor. The large DeltaE exchanges result from both single impulsive encounters and chattering collisions that involve multiple encounters.

Transition-Tempered Metadynamics Is a Promising Tool for Studying the Permeation of Drug-like Molecules through Membranes.

PubMed

Sun, Rui; Dama, James F; Tan, Jeffrey S; Rose, John P; Voth, Gregory A

2016-10-11

Metadynamics is an important enhanced sampling technique in molecular dynamics simulation to efficiently explore potential energy surfaces. The recently developed transition-tempered metadynamics (TTMetaD) has been proven to converge asymptotically without sacrificing exploration of the collective variable space in the early stages of simulations, unlike other convergent metadynamics (MetaD) methods. We have applied TTMetaD to study the permeation of drug-like molecules through a lipid bilayer to further investigate the usefulness of this method as applied to problems of relevance to medicinal chemistry. First, ethanol permeation through a lipid bilayer was studied to compare TTMetaD with nontempered metadynamics and well-tempered metadynamics. The bias energies computed from various metadynamics simulations were compared to the potential of mean force calculated from umbrella sampling. Though all of the MetaD simulations agree with one another asymptotically, TTMetaD is able to predict the most accurate and reliable estimate of the potential of mean force for permeation in the early stages of the simulations and is robust to the choice of required additional parameters. We also show that using multiple randomly initialized replicas allows convergence analysis and also provides an efficient means to converge the simulations in shorter wall times and, more unexpectedly, in shorter CPU times; splitting the CPU time between multiple replicas appears to lead to less overall error. After validating the method, we studied the permeation of a more complicated drug-like molecule, trimethoprim. Three sets of TTMetaD simulations with different choices of collective variables were carried out, and all converged within feasible simulation time. The minimum free energy paths showed that TTMetaD was able to predict almost identical permeation mechanisms in each case despite significantly different definitions of collective variables.

Climate Change, the Energy-water-food Nexus, and the "New" Colorado River Basin

NASA Astrophysics Data System (ADS)

Middleton, R. S.; Bennett, K. E.; Solander, K.; Hopkins, E.

2017-12-01

Climate change, extremes, and climate-driven disturbances are anticipated to have substantial impacts on regional water resources, particularly in the western and southwestern United States. These unprecedented conditions—a no-analog future—will result in challenges to adaptation, mitigation, and resilience planning for the energy-water-food nexus. We have analyzed the impact of climate change on Colorado River flows for multiple climate and disturbance scenarios: 12 global climate models and two CO2 emission scenarios (RCP 4.5 and RCP 8.5) from the Intergovernmental Panel on Climate Change's Coupled Model Intercomparison Study, version 5, and multiple climate-driven forest disturbance scenarios including temperature-drought vegetation mortality and insect infestations. Results indicate a wide range of potential streamflow projections and the potential emergence of a "new" Colorado River basin. Overall, annual streamflow tends to increase under the majority of modeled scenarios due to projected increases in precipitation across the basin, though a significant number of scenarios indicate moderate and potentially substantial reductions in water availability. However, all scenarios indicate severe changes in seasonality of flows and strong variability across headwater systems. This leads to increased fall and winter streamflow, strong reductions in spring and summer flows, and a shift towards earlier snowmelt timing. These impacts are further exacerbated in headwater systems, which are key to driving Colorado River streamflow and hence water supply for both internal and external basin needs. These results shed a new and important slant on the Colorado River basin, where an emergent streamflow pattern may result in difficulties to adjust to these new regimes, resulting in increased stress to the energy-water-food nexus.

Optical Nonlinearities in GaAs/GaAlAs Multiple Quantum Wells Fabricated by Metalorganic Chemical Vapor Deposition for Use in Optical Signal Processing.

DTIC Science & Technology

1987-12-01

larger energy separation of the terminal states. The spectra of the thicker wells show peaks due to transitions from the n=2 and n=3 electron states. The...are found in the theses of H. C. Lee (PhD) and M. Kawase (MS). Section III contains an invited paper submittted to Journal of Quantum Electronics ...steps are associated with the allowed energies of the "square well potential" and are a strong function of the dimensions of the well and the

Chaos of energetic positron orbits in a dipole magnetic field and its potential application to a new injection scheme

NASA Astrophysics Data System (ADS)

Saitoh, H.; Yoshida, Z.; Yano, Y.; Nishiura, M.; Kawazura, Y.; Horn-Stanja, J.; Pedersen, T. Sunn

2016-10-01

We study the behavior of high-energy positrons emitted from a radioactive source in a magnetospheric dipole field configuration. Because the conservation of the first and second adiabatic invariants is easily destroyed in a strongly inhomogeneous dipole field for high-energy charged particles, the positron orbits are nonintegrable, resulting in chaotic motions. In the geometry of a typical magnetospheric levitated dipole experiment, it is shown that a considerable ratio of positrons from a 22Na source, located at the edge of the confinement region, has chaotic long orbit lengths before annihilation. These particles make multiple toroidal circulations and form a hollow toroidal positron cloud. Experiments with a small 22Na source in the Ring Trap 1 (RT-1) device demonstrated the existence of such long-lived positrons in a dipole field. Such a chaotic behavior of high-energy particles is potentially applicable to the formation of a dense toroidal positron cloud in the strong-field region of the dipole field in future studies.

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

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

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.

We present measurements of bulk properties of the matter produced in Au+Au collisions atmore » $$\\sqrt{s}$$$_ {NN}$$= 7.7, 11.5, 19.6, 27, and 39 GeV using identified hadrons (π ±, K ±, p, and $$\\bar{p}$$) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (| y | < 0.1) results for multiplicity densities dN / dy, average transverse momenta $$\\langle$$pT$$\\rangle$$, and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.« less

Coming Full Circle: Contributions of Central and Peripheral Oxytocin Actions to Energy Balance

PubMed Central

Blevins, James E.

2013-01-01

The neuropeptide oxytocin has emerged as an important anorexigen in the regulation of energy balance. Its effects on food intake have largely been attributed to limiting meal size through interactions in key regulatory brain regions such as the hypothalamus and hindbrain. Pharmacologic and pair-feeding studies indicate that its ability to reduce body mass extends beyond that of food intake, affecting multiple factors that determine energy balance such as energy expenditure, lipolysis, and glucose regulation. Systemic administration of oxytocin recapitulates many of its effects when administered centrally, raising the questions of whether and to what extent circulating oxytocin contributes to energy regulation. Its therapeutic potential to treat metabolic conditions remains to be determined, but data from diet-induced and genetically obese rodent models as well as application of oxytocin in humans in other areas of research have revealed promising results thus far. PMID:23270805

Bulk properties of the medium produced in relativistic heavy-ion collisions from the beam energy scan program

DOE PAGES

Adamczyk, L.; Adkins, J. K.; Agakishiev, G.; ...

2017-10-13

We present measurements of bulk properties of the matter produced in Au+Au collisions atmore » $$\\sqrt{s}$$$_ {NN}$$= 7.7, 11.5, 19.6, 27, and 39 GeV using identified hadrons (π ±, K ±, p, and $$\\bar{p}$$) from the STAR experiment in the Beam Energy Scan (BES) Program at the Relativistic Heavy Ion Collider (RHIC). Midrapidity (| y | < 0.1) results for multiplicity densities dN / dy, average transverse momenta $$\\langle$$pT$$\\rangle$$, and particle ratios are presented. The chemical and kinetic freeze-out dynamics at these energies are discussed and presented as a function of collision centrality and energy. These results constitute the systematic measurements of bulk properties of matter formed in heavy-ion collisions over a broad range of energy (or baryon chemical potential) at RHIC.« less

Unlocking Flexibility: Integrated Optimization and Control of Multienergy Systems

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

Dall'Anese, Emiliano; Mancarella, Pierluigi; Monti, Antonello

Electricity, natural gas, water, and dis trict heating/cooling systems are predominantly planned and operated independently. However, it is increasingly recognized that integrated optimization and control of such systems at multiple spatiotemporal scales can bring significant socioeconomic, operational efficiency, and environmental benefits. Accordingly, the concept of the multi-energy system is gaining considerable attention, with the overarching objectives of 1) uncovering fundamental gains (and potential drawbacks) that emerge from the integrated operation of multiple systems and 2) developing holistic yet computationally affordable optimization and control methods that maximize operational benefits, while 3) acknowledging intrinsic interdependencies and quality-of-service requirements for each provider.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction

NASA Astrophysics Data System (ADS)

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-01

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Tunneling of coupled methyl quantum rotors in 4-methylpyridine: Single rotor potential versus coupling interaction.

PubMed

Khazaei, Somayeh; Sebastiani, Daniel

2017-11-21

We study the influence of rotational coupling between a pair of methyl rotators on the tunneling spectrum in condensed phase. Two interacting adjacent methyl groups are simulated within a coupled-pair model composed of static rotational potential created by the chemical environment and the interaction potential between two methyl groups. We solve the two-dimensional time-independent Schrödinger equation analytically by expanding the wave functions on the basis set of two independent free-rotor functions. We investigate three scenarios which differ with respect to the relative strength of single-rotor and coupling potential. For each scenario, we illustrate the dependence of the energy level scheme on the coupling strength. It is found that the main determinant of splitting energy levels tends to be a function of the ratio of strengths of coupling and single-rotor potential. The tunnel splitting caused by coupling is maximized for the coupled rotors in which their total hindering potential is relatively shallow. Such a weakly hindered methyl rotational potential is predicted for 4-methylpyridine at low temperature. The experimental observation of multiple tunneling peaks arising from a single type of methyl group in 4-methylpyridine in the inelastic neutron scattering spectrum is widely attributed to the rotor-rotor coupling. In this regard, using a set of first-principles calculations combined with the nudged elastic band method, we investigate the rotational potential energy surface (PES) of the coaxial pairs of rotors in 4-methylpyridine. A Numerov-type method is used to numerically solve the two-dimensional time-independent Schrödinger equation for the calculated 2D-density functional theory profile. Our computed energy levels reproduce the observed tunneling transitions well. Moreover, the calculated density distribution of the three methyl protons resembles the experimental nuclear densities obtained from the Fourier difference method. By mapping the calculated first-principles PES on the model, it is confirmed that the hindering potential in 4-methylpyridine consists of proportionally shallow single-rotor potential to coupling interaction.

Dynamic modeling of potentially conflicting energy reduction strategies for residential structures in semi-arid climates.

PubMed

Hester, Nathan; Li, Ke; Schramski, John R; Crittenden, John

2012-04-30

Globally, residential energy consumption continues to rise due to a variety of trends such as increasing access to modern appliances, overall population growth, and the overall increase of electricity distribution. Currently, residential energy consumption accounts for approximately one-fifth of total U.S. energy consumption. This research analyzes the effectiveness of a range of energy-saving measures for residential houses in semi-arid climates. These energy-saving measures include: structural insulated panels (SIP) for exterior wall construction, daylight control, increased window area, efficient window glass suitable for the local weather, and several combinations of these. Our model determined that energy consumption is reduced by up to 6.1% when multiple energy savings technologies are combined. In addition, pre-construction technologies (structural insulated panels (SIPs), daylight control, and increased window area) provide roughly 4 times the energy savings when compared to post-construction technologies (window blinds and efficient window glass). The model also illuminated the importance variations in local climate and building configuration; highlighting the site-specific nature of this type of energy consumption quantification for policy and building code considerations. Published by Elsevier Ltd.

Adaptively biased molecular dynamics: An umbrella sampling method with a time-dependent potential

NASA Astrophysics Data System (ADS)

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

We discuss an adaptively biased molecular dynamics (ABMD) method for the computation of a free energy surface for a set of reaction coordinates. The ABMD method belongs to the general category of umbrella sampling methods with an evolving biasing potential. It is characterized by a small number of control parameters and an O(t) numerical cost with simulation time t. The method naturally allows for extensions based on multiple walkers and replica exchange mechanism. The workings of the method are illustrated with a number of examples, including sugar puckering, and free energy landscapes for polymethionine and polyproline peptides, and for a short β-turn peptide. ABMD has been implemented into the latest version (Case et al., AMBER 10; University of California: San Francisco, 2008) of the AMBER software package and is freely available to the simulation community.

Coupled wave-packets for non-adiabatic molecular dynamics: a generalization of Gaussian wave-packet dynamics to multiple potential energy surfaces

DOE PAGES

White, Alexander James; Tretiak, Sergei; Mozyrsky, Dima V.

2016-04-25

Accurate simulation of the non-adiabatic dynamics of molecules in excited electronic states is key to understanding molecular photo-physical processes. Here we present a novel method, based on a semiclassical approximation, that is as efficient as the commonly used mean field Ehrenfest or ad hoc surface hopping methods and properly accounts for interference and decoherence effects. This novel method is an extension of Heller's thawed Gaussian wave-packet dynamics that includes coupling between potential energy surfaces. By studying several standard test problems we demonstrate that the accuracy of the method can be systematically improved while maintaining high efficiency. The method is suitablemore » for investigating the role of quantum coherence in the non-adiabatic dynamics of many-atom molecules.« less

Multiple resonant railgun power supply

DOEpatents

Honig, E.M.; Nunnally, W.C.

1985-06-19

A multiple repetitive resonant railgun power supply provides energy for repetitively propelling projectiles from a pair of parallel rails. A plurality of serially connected paired parallel rails are powered by similar power supplies. Each supply comprises an energy storage capacitor, a storage inductor to form a resonant circuit with the energy storage capacitor and a magnetic switch to transfer energy between the resonant circuit and the pair of parallel rails for the propelling of projectiles. The multiple serial operation permits relatively small energy components to deliver overall relatively large amounts of energy to the projectiles being propelled.

Multiple resonant railgun power supply

DOEpatents

Honig, Emanuel M.; Nunnally, William C.

1988-01-01

A multiple repetitive resonant railgun power supply provides energy for repetitively propelling projectiles from a pair of parallel rails. A plurality of serially connected paired parallel rails are powered by similar power supplies. Each supply comprises an energy storage capacitor, a storage inductor to form a resonant circuit with the energy storage capacitor and a magnetic switch to transfer energy between the resonant circuit and the pair of parallel rails for the propelling of projectiles. The multiple serial operation permits relatively small energy components to deliver overall relatively large amounts of energy to the projectiles being propelled.

Structure and stability of M6N8 clusters (M = Si, Ge, Sn, Ti).

PubMed

Davydova, Elena I; Timoshkin, Alexey Y; Frenking, Gernot

2010-06-10

The structures and stabilities of the M(6)N(8) clusters (M = Si, Ge, Sn, Ti) have been theoretically studied at DFT and ab initio levels of theory. Two new isomers have been considered: cage-like molecules and propeller-like molecules. It is shown that only for M = Si are both isomers true minima on the potential energy surface. The thermodynamics of the dissociation process (1/6)M(6)N(8) --> (1/3)M(3)N(4) is discussed. For each M(3)N(4) molecule, four structures with different multiplicity are considered. The thermodynamic analysis shows that independently of the multiplicity of M(3)N(4) nitrides all M(6)N(8) clusters are stable in the gas phase in a wide temperature range and could be potential intermediates in chemical vapor deposition of the nitride materials.

Characterizing decadal-scale vegetation and ecohydrologic change associated with the Mozambican civil war via multiple-sensor remote sensing datasets

NASA Astrophysics Data System (ADS)

Flores, A. N.; Lakshmi, V.; Al-Barakat, R.; Maksimowicz, M.

2016-12-01

Terrestrial vegetation controls the partitioning of incoming energy into latent and sensible heat fluxes and precipitation into runoff and infiltration. Humans modify terrestrial vegetation in direct and indirect ways, impacting the components of the surface water and energy balance. Although ecohydrologic impacts of land modification due to agriculture and deforestation have been studied extensively, impacts of civil conflict on regional ecohydrology have received comparatively less study. Remote sensing provides a unique opportunity to investigate potential impacts of this civil conflict on terrestrial vegetation communities and the surface water and energy balance. During the Mozambican civil war (1977-1992) many agricultural fields went fallow and large herbivore populations collapsed due to poaching. The extent of these impacts on changes in regional water and energy balance and the spatiotemporal scale of those changes, however, is largely unknown. We use remote sensing data from multiple satellite platforms to diagnose and characterize changes in terrestrial vegetation and ecohydrology in Mozambique. The Advanced very High Resolution Radiometer (AVHRR) sensor has been integral to many NOAA satellite platforms and provides long-term continuous data that can document terrestrial vegetation change during most of the Mozambican civil war period. More recently, the Tropical Rainfall Measurement Mission provides microwave-based estimates of precipitation from 1997 onward, affording the ability to explore associations between precipitation and vegetation in the post-bellum period. In this work we explore application of graph theory methods for characterizing spatial and temporal patterns in vegetation and precipitation. This work is important to advancing fundamental understanding of coupled human-environment systems through characterizing potential impacts of civil conflict (which may become more frequent and widespread with climate change) on regional ecohydrology.

Characterizing Impacts of Land Grabbing on Terrestrial Vegetation and Ecohydrologic change in Mozambique through Multiple-sensor Remote Sensing and Models

NASA Astrophysics Data System (ADS)

Flores, A. N.; Lakshmi, V.; Al-Barakat, R.; Maksimowicz, M.

2017-12-01

Land grabbing, the acquisition of large areas of land by external entities, results from interactions of complex global economic, social, and political processes. These transactions are controversial because they can result in large-scale disruptions to historical land uses, including increased intensity of agricultural practices and significant conversions in land cover. These large-scale disruptions have the potential to impact surface water and energy balance because vegetation controls the partitioning of incoming energy into latent and sensible heat fluxes and precipitation into runoff and infiltration. Because large-scale land acquisitions can impact local ecosystem services, it is important to document changes in terrestrial vegetation associated with these acquisitions to support the assessment of associated impacts on regional surface water and energy balance, spatiotemporal scales of those changes, and interactions and feedbacks with other processes, particularly in the atmosphere. We use remote sensing data from multiple satellite platforms to diagnose and characterize changes in terrestrial vegetation and ecohydrology in Mozambique during periods that bracket periods associated with significant. The Advanced very High Resolution Radiometer (AVHRR) sensor provides long-term continuous data that can document historical seasonal cycles of vegetation greenness. These data are augmented with analyses from Landsat multispectral data, which provides significantly higher spatial resolution. Here we quantify spatiotemporal changes in vegetation are associated with periods of significant land acquisitions in Mozambique. This analysis complements a suite of land-atmosphere modeling experiments designed to deduce potential changes in land surface water and energy budgets associated with these acquisitions. This work advance understanding of how telecouplings between global economic and political forcings and regional hydrology and climate.

Non-polynomial extensions of solvable potentials à la Abraham-Moses

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

Odake, Satoru; Sasaki, Ryu; Center for Theoretical Sciences, National Taiwan University, Taipei 10617, Taiwan

2013-10-15

Abraham-Moses transformations, besides Darboux transformations, are well-known procedures to generate extensions of solvable potentials in one-dimensional quantum mechanics. Here we present the explicit forms of infinitely many seed solutions for adding eigenstates at arbitrary real energy through the Abraham-Moses transformations for typical solvable potentials, e.g., the radial oscillator, the Darboux-Pöschl-Teller, and some others. These seed solutions are simple generalisations of the virtual state wavefunctions, which are obtained from the eigenfunctions by discrete symmetries of the potentials. The virtual state wavefunctions have been an essential ingredient for constructing multi-indexed Laguerre and Jacobi polynomials through multiple Darboux-Crum transformations. In contrast to themore » Darboux transformations, the virtual state wavefunctions generate non-polynomial extensions of solvable potentials through the Abraham-Moses transformations.« less

Design Concept for a Compact ERL to Drive a VUV/Soft X-Ray FEL

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

Christopher Tennant ,David Douglas

2011-03-01

We explore possible upgrades of the existing Jefferson Laboratory IR/UV FEL driver to higher electron beam energy and shorter wavelength through use of multipass recirculation to drive an amplifier FEL. The system would require beam energy at the wiggler of 600 MeV with 1 mA of average current. The system must generate a high brightness beam, configure it appropriately, and preserve beam quality through the acceleration cycle ? including multiple recirculations ? and appropriately manage the phase space during energy recovery. The paper will discuss preliminary design analysis of the longitudinal match, space charge effects in the linac, and recirculatormore » design issues, including the potential for the microbunching instability. A design concept for the low energy recirculator and an emittance preserving lattice solution will be presented.« less

Theoretical investigation of the He4Br2 conformers.

PubMed

Valdés, Álvaro; Prosmiti, Rita; Villarreal, Pablo; Delgado-Barrio, Gerardo

2012-07-05

Full dimensional quantum dynamics calculations of the three lowest isomers of the He(4)Br(2) van der Waals molecule in its ground electronic state are reported. The calculations are performed using the multiconfiguration time-dependent Hartree (MCTDH) method and a realistic potential form that includes the sum of three body ab initio coupled-cluster single double triple [CCSD(T)] He-Br(2) interactions plus the He-He and Br-Br interactions. This potential exhibits several multiple minima, with the three lowest ones lying very close in energy, just within 2 cm(-1). Such small differences are also found in the calculated binding energies of the three most stable conformers, indicating the floppiness of the system and, thus, the need of accurate potential forms and quantum full dynamics methods to treat this kind of complexes. The 12 dimensional results reported in this work present benchmark data and, thus, can serve to evaluate approximate methods aiming to describe higher order rare gas-dihalogen (N > 4) complexes. A comparison with previous studies using different potential forms and approaches to the energetics for the He(4)Br(2) cluster is also presented.

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations.

PubMed

Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B; Jain, Abhinandan; Vaidehi, Nagarajan

2016-01-28

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential energy distortions encountered in constrained ICMD simulations of peptide molecules.

Overcoming potential energy distortions in constrained internal coordinate molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Kandel, Saugat; Salomon-Ferrer, Romelia; Larsen, Adrien B.; Jain, Abhinandan; Vaidehi, Nagarajan

2016-01-01

The Internal Coordinate Molecular Dynamics (ICMD) method is an attractive molecular dynamics (MD) method for studying the dynamics of bonded systems such as proteins and polymers. It offers a simple venue for coarsening the dynamics model of a system at multiple hierarchical levels. For example, large scale protein dynamics can be studied using torsional dynamics, where large domains or helical structures can be treated as rigid bodies and the loops connecting them as flexible torsions. ICMD with such a dynamic model of the protein, combined with enhanced conformational sampling method such as temperature replica exchange, allows the sampling of large scale domain motion involving high energy barrier transitions. Once these large scale conformational transitions are sampled, all-torsion, or even all-atom, MD simulations can be carried out for the low energy conformations sampled via coarse grained ICMD to calculate the energetics of distinct conformations. Such hierarchical MD simulations can be carried out with standard all-atom forcefields without the need for compromising on the accuracy of the forces. Using constraints to treat bond lengths and bond angles as rigid can, however, distort the potential energy landscape of the system and reduce the number of dihedral transitions as well as conformational sampling. We present here a two-part solution to overcome such distortions of the potential energy landscape with ICMD models. To alleviate the intrinsic distortion that stems from the reduced phase space in torsional MD, we use the Fixman compensating potential. To additionally alleviate the extrinsic distortion that arises from the coupling between the dihedral angles and bond angles within a force field, we propose a hybrid ICMD method that allows the selective relaxing of bond angles. This hybrid ICMD method bridges the gap between all-atom MD and torsional MD. We demonstrate with examples that these methods together offer a solution to eliminate the potential energy distortions encountered in constrained ICMD simulations of peptide molecules.

Mapping the Green Infrastructure potential - and it's water-energy impacts on New York City roof Tops

NASA Astrophysics Data System (ADS)

Engström, Rebecka; Destouni, Georgia; Howells, Mark

2017-04-01

Green Roofs have the potential to provide multiple services in cities. Besides acting as carbon sinks, providing noise reduction and decreasing air pollution - without requiring any additional "land-use" in a city (only roof-use), green roofs have a quantifiable potential to reduce direct and indirect energy and water use. They enhance the insulating capacity of a conventional residential roof and thereby decrease both cooling demands in summer and heating demands in winter. The former is further mitigated by the cooling effect of evapotranspiration from the roofs In New York City green roofs are additionally a valuable component of reducing "combined sewer overflows", as these roofs can retain storm water. This can improve water quality in the city's rivers as well as decrease the total volume of water treated in the city's wastewater treatment plants, thereby indirectly reduce energy demands. The impacts of green roofs on NYC's water-energy nexus has been initially studied (Engström et. al, forthcoming). The present study expands that work to more comprehensively investigate the potential of this type of nature-based solution in a dense city. By employing Geographical Information Systems analysis, the roof top area of New York City is analysed and roof space suitable for green roofs of varying types (ranging from extensive to intensive) are mapped and quantified. The total green roof area is then connected with estimates of potential water-energy benefits (and costs) of each type of green roof. The results indicate where green roofs can be beneficially installed throughout the city, and quantifies the related impacts on both water and energy use. These outputs can provide policy makers with valuable support when facing investment decisions in green infrastructure, in a city where there is great interest for these types of nature-based solutions.

Projecting Wind Energy Potential Under Climate Change with Ensemble of Climate Model Simulations

NASA Astrophysics Data System (ADS)

Jain, A.; Shashikanth, K.; Ghosh, S.; Mukherjee, P. P.

2013-12-01

Recent years have witnessed an increasing global concern over energy sustainability and security, triggered by a number of issues, such as (though not limited to): fossil fuel depletion, energy resource geopolitics, economic efficiency versus population growth debate, environmental concerns and climate change. Wind energy is a renewable and sustainable form of energy in which wind turbines convert the kinetic energy of wind into electrical energy. Global warming and differential surface heating may significantly impact the wind velocity and hence the wind energy potential. Sustainable design of wind mills requires understanding the impacts of climate change on wind energy potential, which we evaluate here with multiple General Circulation Models (GCMs). GCMs simulate the climate variables globally considering the greenhouse emission scenarios provided as Representation Concentration path ways (RCPs). Here we use new generation climate model outputs obtained from Coupled model Intercomparison Project 5(CMIP5). We first compute the wind energy potential with reanalysis data (NCEP/ NCAR), at a spatial resolution of 2.50, where the gridded data is fitted to Weibull distribution and with the Weibull parameters, the wind energy densities are computed at different grids. The same methodology is then used, to CMIP5 outputs (resultant of U-wind and V-wind) of MRI, CMCC, BCC, CanESM, and INMCM4 for historical runs. This is performed separately for four seasons globally, MAM, JJA, SON and DJF. We observe the muti-model average of wind energy density for historic period has significant bias with respect to that of reanalysis product. Here we develop a quantile based superensemble approach where GCM quantiles corresponding to selected CDF values are regressed to reanalysis data. It is observed that this regression approach takes care of both, bias in GCMs and combination of GCMs. With superensemble, we observe that the historical wind energy density resembles quite well with reanalysis/ observed output. We apply the same for future under RCP scenarios. We observe spatially and temporally varying global change of wind energy density. The underlying assumption is that the regression relationship will also hold good for future. The results highlight the needs to change the design standards of wind mills at different locations, considering climate change and at the same time the requirement of height modifications for existing mills to produce same energy in future.

Heat Recuperator Engineering for an ARL Liquid-Fueled Thermophotovoltaic Power Source Demonstrator

DTIC Science & Technology

2014-09-01

using logistics and multiple other fuels. Some potential technologies include thermoelectric , thermophotovoltaic (TPV), and thermionic. For these... thermoelectric , thermophotovoltaic (TPV), and thermionic. For these technologies, thermal efficiency is critical to achieve high energy density and thermal-to... thermoelectric and TPV. The exhaust gas will be above this temperature, but more than 50% of the thermal power of the combustor can be lost to the exhaust

Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunneling.

PubMed

Alecu, I M; Zheng, Jingjing; Papajak, Ewa; Yu, Tao; Truhlar, Donald G

2012-12-20

Multistructural canonical variational transition-state theory with small-curvature multidimensional tunneling (MS-CVT/SCT) is employed to calculate thermal rate constants for hydrogen-atom abstraction from carbon-1 of n-butanol by the hydroperoxyl radical over the temperature range 250-2000 K. The M08-SO hybrid meta-GGA density functional was validated against CCSD(T)-F12a explicitly correlated wave function calculations with the jul-cc-pVTZ basis set. It was then used to compute the properties of all stationary points and the energies and Hessians of a few nonstationary points along the reaction path, which were then used to generate a potential energy surface by the multiconfiguration Shepard interpolation (MCSI) method. The internal rotations in the transition state for this reaction (like those in the reactant alcohol) are strongly coupled to each other and generate multiple stable conformations, which make important contributions to the partition functions. It is shown that neglecting to account for the multiple-structure effects and torsional potential anharmonicity effects that arise from the torsional modes would lead to order-of-magnitude errors in the calculated rate constants at temperatures of interest in combustion.

Multiscale connectivity and graph theory highlight critical areas for conservation under climate change.

PubMed

Dilt, Thomas E; Weisberg, Peter J; Leitner, Philip; Matocq, Marjorie D; Inman, Richard D; Nussear, Kenneth E; Esque, Todd C

2016-06-01

Conservation planning and biodiversity management require information on landscape connectivity across a range of spatial scales from individual home ranges to large regions. Reduction in landscape connectivity due changes in land use or development is expected to act synergistically with alterations to habitat mosaic configuration arising from climate change. We illustrate a multiscale connectivity framework to aid habitat conservation prioritization in the context of changing land use and climate. Our approach, which builds upon the strengths of multiple landscape connectivity methods, including graph theory, circuit theory, and least-cost path analysis, is here applied to the conservation planning requirements of the Mohave ground squirrel. The distribution of this threatened Californian species, as for numerous other desert species, overlaps with the proposed placement of several utility-scale renewable energy developments in the American southwest. Our approach uses information derived at three spatial scales to forecast potential changes in habitat connectivity under various scenarios of energy development and climate change. By disentangling the potential effects of habitat loss and fragmentation across multiple scales, we identify priority conservation areas for both core habitat and critical corridor or stepping stone habitats. This approach is a first step toward applying graph theory to analyze habitat connectivity for species with continuously distributed habitat and should be applicable across a broad range of taxa.

Light-effect transistor (LET) with multiple independent gating controls for optical logic gates and optical amplification

NASA Astrophysics Data System (ADS)

Marmon, Jason; Rai, Satish; Wang, Kai; Zhou, Weilie; Zhang, Yong

The pathway for CMOS technology beyond the 5-nm technology node remains unclear for both physical and technological reasons. A new transistor paradigm is required. A LET (Marmon et. al., Front. Phys. 2016, 4, No. 8) offers electronic-optical hybridization at the component level, and is capable of continuing Moore's law to the quantum scale. A LET overcomes a FET's fabrication complexity, e.g., physical gate and doping, by employing optical gating and photoconductivity, while multiple independent, optical gates readily realize unique functionalities. We report LET device characteristics and novel digital and analog applications, such as optical logic gates and optical amplification. Prototype CdSe-nanowire-based LETs, incorporating an M-S-M structure, show output and transfer characteristics resembling advanced FETs, e.g., on/off ratios up to 106 with a source-drain voltage of 1.43V, gate-power of 260nW, and a subthreshold swing of 0.3nW/decade (excluding losses). A LET has potential for high-switching (THz) speeds and extremely low-switching energies (aJ) in the ballistic transport region. Our work offers new electronic-optical integration strategies for high speed and low energy computing approaches, which could potentially be extended to other materials and devices.

A New Metric for Land-Atmosphere Coupling Strength: Applications on Observations and Modeling

NASA Astrophysics Data System (ADS)

Tang, Q.; Xie, S.; Zhang, Y.; Phillips, T. J.; Santanello, J. A., Jr.; Cook, D. R.; Riihimaki, L.; Gaustad, K.

2017-12-01

A new metric is proposed to quantify the land-atmosphere (LA) coupling strength and is elaborated by correlating the surface evaporative fraction and impacting land and atmosphere variables (e.g., soil moisture, vegetation, and radiation). Based upon multiple linear regression, this approach simultaneously considers multiple factors and thus represents complex LA coupling mechanisms better than existing single variable metrics. The standardized regression coefficients quantify the relative contributions from individual drivers in a consistent manner, avoiding the potential inconsistency in relative influence of conventional metrics. Moreover, the unique expendable feature of the new method allows us to verify and explore potentially important coupling mechanisms. Our observation-based application of the new metric shows moderate coupling with large spatial variations at the U.S. Southern Great Plains. The relative importance of soil moisture vs. vegetation varies by location. We also show that LA coupling strength is generally underestimated by single variable methods due to their incompleteness. We also apply this new metric to evaluate the representation of LA coupling in the Accelerated Climate Modeling for Energy (ACME) V1 Contiguous United States (CONUS) regionally refined model (RRM). This work is performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. LLNL-ABS-734201

The m.11778 A > G variant associated with the coexistence of Leber's hereditary optic neuropathy and multiple sclerosis-like illness dysregulates the metabolic interplay between mitochondrial oxidative phosphorylation and glycolysis.

PubMed

Uittenbogaard, Martine; Brantner, Christine A; Fang, ZiShui; Wong, Lee-Jun; Gropman, Andrea; Chiaramello, Anne

2018-06-08

Little is known about the molecular mechanism of the rare coexistence of Leber's Hereditary Optic Neuropathy (LHON) and multiple sclerosis (MS), also known as the Harding's syndrome. In this study, we provide novel evidence that the m.11778A > G variant causes a defective metabolic interplay between mitochondrial oxidative phosphorylation and glycolysis. We used dermal fibroblasts derived from a female proband exhibiting clinical symptoms compatible with LHON-MS due to the presence of the pathogenic m.11778A > G variant at near homoplasmic levels. Our mitochondrial morphometric analysis reveals abnormal cristae architecture. Live-cell respiratory studies show stunted metabolic potential and spare respiratory capacity, vital for cell survival upon a sudden energy demand. The m.11778 A > G variant also alters glycolytic activities with a diminished compensatory glycolysis, thereby preventing an efficient metabolic reprogramming during a mitochondrial ATP crisis. Our collective results provide evidence of limited bioenergetic flexibility in the presence of the m.11778 A > G variant. Our study sheds light on the potential pathophysiologic mechanism of the m.11778 A > G variant leading to energy crisis in this patient with the LHON-MS disease. Copyright © 2018. Published by Elsevier B.V.

Applications of fuzzy ranking methods to risk-management decisions

NASA Astrophysics Data System (ADS)

Mitchell, Harold A.; Carter, James C., III

1993-12-01

The Department of Energy is making significant improvements to its nuclear facilities as a result of more stringent regulation, internal audits, and recommendations from external review groups. A large backlog of upgrades has resulted. Currently, a prioritization method is being utilized which relies on a matrix of potential consequence and probability of occurrence. The attributes of the potential consequences considered include likelihood, exposure, public health and safety, environmental impact, site personnel safety, public relations, legal liability, and business loss. This paper describes an improved method which utilizes fuzzy multiple attribute decision methods to rank proposed improvement projects.

High multiplicity α-particle breakup measurements to study α-condensate states

NASA Astrophysics Data System (ADS)

Bishop, J.; Kokalova, Tz; Freer, M.; Assie, M.; Acosta, L.; Bailey, S.; Cardella, G.; Curtis, N.; De Filippo, E.; Dell'Aquila, D.; De Luca, S.; Francalanza, L.; Gnoffo, B.; Lanzalone, G.; Lombardo, I.; Martorana, N.; Norella, S.; Pagano, A.; Pagano, E. V.; Papa, M.; Pirrone, S.; Politi, G.; Rizzo, F.; Russotto, P.; Quattrocchi, L.; Smith, R.; Stefan, I.; Trifirò, A.; Trimarchì, M.; Verde, G.; Vigilante, M.; Wheldon, C.

2017-06-01

An experiment was performed to investigate α-condensate states via high α-particle multiplicity breakup. The nucleus of interest was 28Si therefore to measure multiplicity 7 particle breakup events, a highly granular detector with a high solid angle coverage was required. For this purpose, the CHIMERA and FARCOS detectors at INFN LNS were employed. Particle identification was achieved through ΔE-E energy loss. The α-particle multiplicity was measured at three beam energies to investigate different excitation regimes in 28Si. At a beam energy where the energy is sufficient to provide the 7 α-particles with enough energy to be identified using the ΔE-E method, multiplicity 7 events can be seen. Given these high multiplicity events, the particles can be reconstructed to investigate the breakup of α-condensate states. Analysing the decay paths of these states can elucidate whether the state of interest corresponds to a non-cluster, clustered or condensed state.

Using the fast fourier transform in binding free energy calculations.

PubMed

Nguyen, Trung Hai; Zhou, Huan-Xiang; Minh, David D L

2018-04-30

According to implicit ligand theory, the standard binding free energy is an exponential average of the binding potential of mean force (BPMF), an exponential average of the interaction energy between the unbound ligand ensemble and a rigid receptor. Here, we use the fast Fourier transform (FFT) to efficiently evaluate BPMFs by calculating interaction energies when rigid ligand configurations from the unbound ensemble are discretely translated across rigid receptor conformations. Results for standard binding free energies between T4 lysozyme and 141 small organic molecules are in good agreement with previous alchemical calculations based on (1) a flexible complex ( R≈0.9 for 24 systems) and (2) flexible ligand with multiple rigid receptor configurations ( R≈0.8 for 141 systems). While the FFT is routinely used for molecular docking, to our knowledge this is the first time that the algorithm has been used for rigorous binding free energy calculations. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

A first principles calculation and statistical mechanics modeling of defects in Al-H system

NASA Astrophysics Data System (ADS)

Ji, Min; Wang, Cai-Zhuang; Ho, Kai-Ming

2007-03-01

The behavior of defects and hydrogen in Al was investigated by first principles calculations and statistical mechanics modeling. The formation energy of different defects in Al+H system such as Al vacancy, H in institution and multiple H in Al vacancy were calculated by first principles method. Defect concentration in thermodynamical equilibrium was studied by total free energy calculation including configuration entropy and defect-defect interaction from low concentration limit to hydride limit. In our grand canonical ensemble model, hydrogen chemical potential under different environment plays an important role in determing the defect concentration and properties in Al-H system.

An Energy Efficient Cooperative Hierarchical MIMO Clustering Scheme for Wireless Sensor Networks

PubMed Central

Nasim, Mehwish; Qaisar, Saad; Lee, Sungyoung

2012-01-01

In this work, we present an energy efficient hierarchical cooperative clustering scheme for wireless sensor networks. Communication cost is a crucial factor in depleting the energy of sensor nodes. In the proposed scheme, nodes cooperate to form clusters at each level of network hierarchy ensuring maximal coverage and minimal energy expenditure with relatively uniform distribution of load within the network. Performance is enhanced by cooperative multiple-input multiple-output (MIMO) communication ensuring energy efficiency for WSN deployments over large geographical areas. We test our scheme using TOSSIM and compare the proposed scheme with cooperative multiple-input multiple-output (CMIMO) clustering scheme and traditional multihop Single-Input-Single-Output (SISO) routing approach. Performance is evaluated on the basis of number of clusters, number of hops, energy consumption and network lifetime. Experimental results show significant energy conservation and increase in network lifetime as compared to existing schemes. PMID:22368459

Methods for Analyzing the Economic Value of Concentrating Solar Power with Thermal Energy Storage

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

Denholm, Paul; Jorgenson, Jennie; Miller, Mackay

2015-07-20

Concentrating solar power with thermal energy storage (CSP-TES) provides multiple quantifiable benefits compared to CSP without storage or to solar photovoltaic (PV) technology, including higher energy value, ancillary services value, and capacity value. This report describes modeling approaches to quantifying these benefits that have emerged through state-level policymaking in the United States as well as the potential applicability of these methods in China. The technical potential for CSP-TES in China is significant, but deployment has not yet achieved the targets established by the Chinese government. According to the 12th Five Year Plan for Renewable Energy (2011-2015), CSP was expected tomore » reach 1 GW by 2015 and 3 GW by 2020 in China, yet as of December 2014, deployment totaled only 13.8 MW. One barrier to more rapid deployment is the lack of an incentive specific to CSP, such as a feed-in tariff. The 13th Five Year Plan for Solar Generation (2016-2020), which is under development, presents an opportunity to establish a feed-in tariff specific to CSP. This report, produced under the auspices of the U.S.-China Renewable Energy Partnership, aims to support the development of Chinese incentives that advance CSP deployment goals.« less

Understanding the quantum nature of low-energy C(3P j ) + He inelastic collisions.

PubMed

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C( 3 P j=0 ) and helium atoms-at collision energies in the vicinity of spin-orbit excitation thresholds (~0.2 and 0.5 kJ mol -1 )-that result in spin-orbit excitation to C( 3 P j=1 ) and C( 3 P j=2 ). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C( 3 P j=0 ) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

Understanding the quantum nature of low-energy C(3Pj) + He inelastic collisions

NASA Astrophysics Data System (ADS)

Bergeat, Astrid; Chefdeville, Simon; Costes, Michel; Morales, Sébastien B.; Naulin, Christian; Even, Uzi; Kłos, Jacek; Lique, François

2018-05-01

Inelastic collisions that occur between open-shell atoms and other atoms or molecules, and that promote a spin-orbit transition, involve multiple interaction potentials. They are non-adiabatic by nature and cannot be described within the Born-Oppenheimer approximation; in particular, their theoretical modelling becomes very challenging when the collision energies have values comparable to the spin-orbit splitting. Here we study inelastic collisions between carbon in its ground state C(3Pj=0) and helium atoms—at collision energies in the vicinity of spin-orbit excitation thresholds ( 0.2 and 0.5 kJ mol-1)—that result in spin-orbit excitation to C(3Pj=1) and C(3Pj=2). State-to-state integral cross-sections are obtained from crossed-beam experiments with a beam source that provides an almost pure beam of C(3Pj=0) . We observe very good agreement between experimental and theoretical results (acquired using newly calculated potential energy curves), which validates our characterization of the quantum dynamical resonances that are observed. Rate coefficients at very low temperatures suitable for chemical modelling of the interstellar medium are also calculated.

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

Identifying high energy density stream-reaches through refined geospatial resolution in hydropower resource assessment

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

Pasha, M. Fayzul K.; Yang, Majntxov; Yeasmin, Dilruba

Benefited from the rapid development of multiple geospatial data sets on topography, hydrology, and existing energy-water infrastructures, the reconnaissance level hydropower resource assessment can now be conducted using geospatial models in all regions of the US. Furthermore, the updated techniques can be used to estimate the total undeveloped hydropower potential across all regions, and may eventually help identify further hydropower opportunities that were previously overlooked. To enhance the characterization of higher energy density stream-reaches, this paper explored the sensitivity of geospatial resolution on the identification of hydropower stream-reaches using the geospatial merit matrix based hydropower resource assessment (GMM-HRA) model. GMM-HRAmore » model simulation was conducted with eight different spatial resolutions on six U.S. Geological Survey (USGS) 8-digit hydrologic units (HUC8) located at three different terrains; Flat, Mild, and Steep. The results showed that more hydropower potential from higher energy density stream-reaches can be identified with increasing spatial resolution. Both Flat and Mild terrains exhibited lower impacts compared to the Steep terrain. Consequently, greater attention should be applied when selecting the discretization resolution for hydropower resource assessments in the future study.« less

Identifying high energy density stream-reaches through refined geospatial resolution in hydropower resource assessment

DOE PAGES

Pasha, M. Fayzul K.; Yang, Majntxov; Yeasmin, Dilruba; ...

2016-01-07

Benefited from the rapid development of multiple geospatial data sets on topography, hydrology, and existing energy-water infrastructures, the reconnaissance level hydropower resource assessment can now be conducted using geospatial models in all regions of the US. Furthermore, the updated techniques can be used to estimate the total undeveloped hydropower potential across all regions, and may eventually help identify further hydropower opportunities that were previously overlooked. To enhance the characterization of higher energy density stream-reaches, this paper explored the sensitivity of geospatial resolution on the identification of hydropower stream-reaches using the geospatial merit matrix based hydropower resource assessment (GMM-HRA) model. GMM-HRAmore » model simulation was conducted with eight different spatial resolutions on six U.S. Geological Survey (USGS) 8-digit hydrologic units (HUC8) located at three different terrains; Flat, Mild, and Steep. The results showed that more hydropower potential from higher energy density stream-reaches can be identified with increasing spatial resolution. Both Flat and Mild terrains exhibited lower impacts compared to the Steep terrain. Consequently, greater attention should be applied when selecting the discretization resolution for hydropower resource assessments in the future study.« less

Analysis of multiple scattering contributions in electron-impact ionization of molecular hydrogen

NASA Astrophysics Data System (ADS)

Ren, Xueguang; Hossen, Khokon; Wang, Enliang; Pindzola, M. S.; Dorn, Alexander; Colgan, James

2017-10-01

We report a combined experimental and theoretical study on the low-energy (E 0 = 31.5 eV) electron-impact ionization of molecular hydrogen (H2). Triple differential cross sections are measured for a range of fixed emission angles of one outgoing electron between {θ }1=-70^\\circ and -130° covering the full 4π solid angle of the second electron. The energy sharing of the outgoing electrons varies from symmetric ({E}1={E}2=8 eV) to highly asymmetric (E 1 = 1 eV and E 2 = 15 eV). In addition to the binary and recoil lobes, a structure is observed perpendicular to the incoming beam direction which is due to multiple scattering of the projectile inside the molecular potential. The absolutely normalized experimental cross sections are compared with results from the time-dependent close-coupling (TDCC) calculations. Molecular alignment dependent TDCC results demonstrate that these structures are only present if the molecule axis is lying in the scattering plane.

Accelerated hydrolysis of substituted cellulose for potential biofuel production: kinetic study and modeling.

PubMed

Mu, Bingnan; Xu, Helan; Yang, Yiqi

2015-11-01

In this work, kinetics of substitution accelerated cellulose hydrolysis with multiple reaction stages was investigated to lay foundation for mechanism study and molecular design of substituting compounds. High-efficiency hydrolysis of cellulose is critical for cellulose-based bioethanol production. It is known that, substitution could substantially decrease activation energy and increase reaction rate of acidic hydrolysis of glycosidic bonds in cellulose. However, reaction kinetics and mechanism of the accelerated hydrolysis were not fully revealed. In this research, it was proved that substitution therefore accelerated hydrolysis only occurred in amorphous regions of cellulose fibers, and was a process with multiple reaction stages. With molar ratio of substitution less than 1%, the overall hydrolysis rate could be increased for around 10 times. We also quantified the relationship between the hydrolysis rate of individual reaction stage and its major influences, including molar ratio of substitution, activation energy of acidic hydrolysis, pH and temperature. Copyright © 2015 Elsevier Ltd. All rights reserved.

Energy performance and savings potentials with skylights

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

Arasteh, D.; Johnson, R.; Selkowitz, S.

1984-12-01

This study systematically explores the energy effects of skylight systems in a prototypical office building module and examines the savings from daylighting. For specific climates, roof/skylight characteristics are identified that minimize total energy or peak electrical demand. Simplified techniques for energy performance calculation are also presented based on a multiple regression analysis of our data base so that one may easily evaluate daylighting's effects on total and component energy loads and electrical peaks. This provides additional insights into the influence of skylight parameters on energy consumption and electrical peaks. We use the DOE-2.1B energy analysis program with newly incorporated daylightingmore » algorithms to determine hourly, monthly, and annual impacts of daylighting strategies on electrical lighting consumption, cooling, heating, fan power, peak electrical demands, and total energy use. A data base of more than 2000 parametric simulations for 14 US climates has been generated. Parameters varied include skylight-to-roof ratio, shading coefficient, visible transmittance, skylight well light loss, electric lighting power density, roof heat transfer coefficient, and electric lighting control type. 14 references, 13 figures, 4 tables.« less

Staging and laser acceleration of ions in underdense plasma

NASA Astrophysics Data System (ADS)

Ting, Antonio; Hafizi, Bahman; Helle, Michael; Chen, Yu-Hsin; Gordon, Daniel; Kaganovich, Dmitri; Polyanskiy, Mikhail; Pogorelsky, Igor; Babzien, Markus; Miao, Chenlong; Dover, Nicholas; Najmudin, Zulfikar; Ettlinger, Oliver

2017-03-01

Accelerating ions from rest in a plasma requires extra considerations because of their heavy mass. Low phase velocity fields or quasi-electrostatic fields are often necessary, either by operating above or near the critical density or by applying other slow wave generating mechanisms. Solid targets have been a favorite and have generated many good results. High density gas targets have also been reported to produce energetic ions. It is interesting to consider acceleration of ions in laser-driven plasma configurations that will potentially allow continuous acceleration in multiple consecutive stages. The plasma will be derived from gaseous targets, producing plasma densities slightly below the critical plasma density (underdense) for the driving laser. Such a plasma is experimentally robust, being repeatable and relatively transparent to externally injected ions from a previous stage. When optimized, multiple stages of this underdense laser plasma acceleration mechanism can progressively accelerate the ions to a high final energy. For a light mass ion such as the proton, relativistic velocities could be reached, making it suitable for further acceleration by high phase velocity plasma accelerators to energies appropriate for High Energy Physics applications. Negatively charged ions such as antiprotons could be similarly accelerated in this multi-staged ion acceleration scheme.

Assessing the Multiple Benefits of Clean Energy Chapter 1: Introduction

EPA Pesticide Factsheets

Chapter 1 of “Assessing the Multiple Benefits of Clean Energy” provides an introduction to the document. /meta name=DC.title content=Assessing the Multiple Benefits of Clean Energy Chapter 1: Introduction

An enzymatically-sensitized sequential and concentric energy transfer relay self-assembled around semiconductor quantum dots

NASA Astrophysics Data System (ADS)

Samanta, Anirban; Walper, Scott A.; Susumu, Kimihiro; Dwyer, Chris L.; Medintz, Igor L.

2015-04-01

The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed.The ability to control light energy within de novo nanoscale structures and devices will greatly benefit their continuing development and ultimate application. Ideally, this control should extend from generating the light itself to its spatial propagation within the device along with providing defined emission wavelength(s), all in a stand-alone modality. Here we design and characterize macromolecular nanoassemblies consisting of semiconductor quantum dots (QDs), several differentially dye-labeled peptides and the enzyme luciferase which cumulatively demonstrate many of these capabilities by engaging in multiple-sequential energy transfer steps. To create these structures, recombinantly-expressed luciferase and the dye-labeled peptides were appended with a terminal polyhistidine sequence allowing for controlled ratiometric self-assembly around the QDs via metal-affinity coordination. The QDs serve to provide multiple roles in these structures including as central assembly platforms or nanoscaffolds along with acting as a potent energy harvesting and transfer relay. The devices are activated by addition of coelenterazine H substrate which is oxidized by luciferase producing light energy which sensitizes the central 625 nm emitting QD acceptor by bioluminescence resonance energy transfer (BRET). The sensitized QD, in turn, acts as a relay and transfers the energy to a first peptide-labeled Alexa Fluor 647 acceptor dye displayed on its surface. This dye then transfers energy to a second red-shifted peptide-labeled dye acceptor on the QD surface through a second concentric Förster resonance energy transfer (FRET) process. Alexa Fluor 700 and Cy5.5 are both tested in the role of this terminal FRET acceptor. Photophysical analysis of spectral profiles from the resulting sequential BRET-FRET-FRET processes allow us to estimate the efficiency of each of the transfer steps. Importantly, the efficiency of each step within this energy transfer cascade can be controlled to some extent by the number of enzymes/peptides displayed on the QD. Further optimization of the energy transfer process(es) along with potential applications of such devices are finally discussed. Electronic supplementary information (ESI) available: This material includes control experimental data and select deconvoluted spectra. See DOI: 10.1039/c5nr00828j

System and method for optimal load and source scheduling in context aware homes

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

Shetty, Pradeep; Foslien Graber, Wendy; Mangsuli, Purnaprajna R.

A controller for controlling energy consumption in a home includes a constraints engine to define variables for multiple appliances in the home corresponding to various home modes and persona of an occupant of the home. A modeling engine models multiple paths of energy utilization of the multiple appliances to place the home into a desired state from a current context. An optimal scheduler receives the multiple paths of energy utilization and generates a schedule as a function of the multiple paths and a selected persona to place the home in a desired state.

Photodissociation spectroscopy of the dysprosium monochloride molecular ion

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

Dunning, Alexander, E-mail: alexander.dunning@gmail.com; Schowalter, Steven J.; Puri, Prateek

2015-09-28

We have performed a combined experimental and theoretical study of the photodissociation cross section of the molecular ion DyCl{sup +}. The photodissociation cross section for the photon energy range 35 500 cm{sup −1} to 47 500 cm{sup −1} is measured using an integrated ion trap and time-of-flight mass spectrometer; we observe a broad, asymmetric profile that is peaked near 43 000 cm{sup −1}. The theoretical cross section is determined from electronic potentials and transition dipole moments calculated using the relativistic configuration-interaction valence-bond and coupled-cluster methods. The electronic structure of DyCl{sup +} is extremely complex due to the presence of multiple open electronic shells,more » including the 4f{sup 10} configuration. The molecule has nine attractive potentials with ionically bonded electrons and 99 repulsive potentials dissociating to a ground state Dy{sup +} ion and Cl atom. We explain the lack of symmetry in the cross section as due to multiple contributions from one-electron-dominated transitions between the vibrational ground state and several resolved repulsive excited states.« less

From Chemical Gardens to Fuel Cells: Generation of Electrical Potential and Current Across Self-Assembling Iron Mineral Membranes.

PubMed

Barge, Laura M; Abedian, Yeghegis; Russell, Michael J; Doloboff, Ivria J; Cartwright, Julyan H E; Kidd, Richard D; Kanik, Isik

2015-07-06

We examine the electrochemical gradients that form across chemical garden membranes and investigate how self-assembling, out-of-equilibrium inorganic precipitates-mimicking in some ways those generated in far-from-equilibrium natural systems-can generate electrochemical energy. Measurements of electrical potential and current were made across membranes precipitated both by injection and solution interface methods in iron-sulfide and iron-hydroxide reaction systems. The battery-like nature of chemical gardens was demonstrated by linking multiple experiments in series which produced sufficient electrical energy to light an external light-emitting diode (LED). This work paves the way for determining relevant properties of geological precipitates that may have played a role in hydrothermal redox chemistry at the origin of life, and materials applications that utilize the electrochemical properties of self-organizing chemical systems. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Exciton effects in the index of refraction of multiple quantum wells and superlattices

NASA Technical Reports Server (NTRS)

Kahen, K. B.; Leburton, J. P.

1986-01-01

Theoretical calculations of the index of refraction of multiple quantum wells and superlattices are presented. The model incorporates both the bound and continuum exciton contributions for the gamma region transitions. In addition, the electronic band structure model has both superlattice and bulk alloy properties. The results indicate that large light-hole masses, i.e., of about 0.23, produced by band mixing effects, are required to account for the experimental data. Furthermore, it is shown that superlattice effects rapidly decrease for energies greater than the confining potential barriers. Overall, the theoretical results are in very good agreement with the experimental data and show the importance of including exciton effects in the index of refraction.

The underestimated potential of solar energy to mitigate climate change

NASA Astrophysics Data System (ADS)

Creutzig, Felix; Agoston, Peter; Goldschmidt, Jan Christoph; Luderer, Gunnar; Nemet, Gregory; Pietzcker, Robert C.

2017-09-01

The Intergovernmental Panel on Climate Change's fifth assessment report emphasizes the importance of bioenergy and carbon capture and storage for achieving climate goals, but it does not identify solar energy as a strategically important technology option. That is surprising given the strong growth, large resource, and low environmental footprint of photovoltaics (PV). Here we explore how models have consistently underestimated PV deployment and identify the reasons for underlying bias in models. Our analysis reveals that rapid technological learning and technology-specific policy support were crucial to PV deployment in the past, but that future success will depend on adequate financing instruments and the management of system integration. We propose that with coordinated advances in multiple components of the energy system, PV could supply 30-50% of electricity in competitive markets.

Matter-wave dark solitons in boxlike traps

NASA Astrophysics Data System (ADS)

Sciacca, M.; Barenghi, C. F.; Parker, N. G.

2017-01-01

Motivated by the experimental development of quasihomogeneous Bose-Einstein condensates confined in boxlike traps, we study numerically the dynamics of dark solitons in such traps at zero temperature. We consider the cases where the side walls of the box potential rise either as a power law or a Gaussian. While the soliton propagates through the homogeneous interior of the box without dissipation, it typically dissipates energy during a reflection from a wall through the emission of sound waves, causing a slight increase in the soliton's speed. We characterize this energy loss as a function of the wall parameters. Moreover, over multiple oscillations and reflections in the boxlike trap, the energy loss and speed increase of the soliton can be significant, although the decay eventually becomes stabilized when the soliton equilibrates with the ambient sound field.

Dynamic electrical reconfiguration for improved capacitor charging in microbial fuel cell stacks

NASA Astrophysics Data System (ADS)

Papaharalabos, George; Greenman, John; Stinchcombe, Andrew; Horsfield, Ian; Melhuish, Chris; Ieropoulos, Ioannis

2014-12-01

A microbial fuel cell (MFC) is a bioelectrochemical device that uses anaerobic bacteria to convert chemical energy locked in biomass into small amounts of electricity. One viable way of increasing energy extraction is by stacking multiple MFC units and exploiting the available electrical configurations for increasing the current or stepping up the voltage. The present study illustrates how a real-time electrical reconfiguration of MFCs in a stack, halves the time required to charge a capacitor (load) and achieves 35% higher current generation compared to a fixed electrical configuration. This is accomplished by progressively switching in-parallel elements to in-series units in the stack, thus maintaining an optimum potential difference between the stack and the capacitor, which in turn allows for a higher energy transfer.

Utilizing Commercial Real Estate Owner and Investor Data to Analyze the Financial Performance of Energy Efficient, High-Performance Office Buildings

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

Cloutier, Deborah; Hosseini, Farshid; White, Andrew

Evidence has shown that owning and operating energy-efficient, high-performance, “green” properties results in multiple benefits including lower utility bills, higher rents, improved occupancy, and greater net operating income. However, it is difficult to isolate and control moderating factors to identify the specific drivers behind improved financial performance and value to investors that results from sustainability in real estate. DOE is interested in facilitating deeper investigation of the correlation between energy efficiency and financial performance, reducing data acquisition and matching challenges, and developing a stronger understanding of how sustainable design and energy efficiency impact value. DOE commissioned this pilot study tomore » test the logistical and empirical procedures required to establish a Commercial Real Estate Data Aggregation & Trends Analysis lab, determine the potential benefits available through the lab, and contribute to the existing body of evidence in this field.« less

Evaluation Framework and Analyses for Thermal Energy Storage Integrated with Packaged Air Conditioning

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

Kung, F.; Deru, M.; Bonnema, E.

2013-10-01

Few third-party guidance documents or tools are available for evaluating thermal energy storage (TES) integrated with packaged air conditioning (AC), as this type of TES is relatively new compared to TES integrated with chillers or hot water systems. To address this gap, researchers at the National Renewable Energy Laboratory conducted a project to improve the ability of potential technology adopters to evaluate TES technologies. Major project outcomes included: development of an evaluation framework to describe key metrics, methodologies, and issues to consider when assessing the performance of TES systems integrated with packaged AC; application of multiple concepts from the evaluationmore » framework to analyze performance data from four demonstration sites; and production of a new simulation capability that enables modeling of TES integrated with packaged AC in EnergyPlus. This report includes the evaluation framework and analysis results from the project.« less

Energy and macronutrient intake in the Midwest Exercise Trial-2 (MET-2)

PubMed Central

Washburn, Richard A.; Honas, Jeff J.; Ptomey, Lauren T.; Mayo, Matthew S.; Lee, Jaehoon; Sullivan, Debra K.; Lambourne, Kathleen; Willis, Erik A.; Donnelly, Joseph E.

2015-01-01

PURPOSE To examined the effect of exercise training over 10 months at 2 levels of energy expenditure on energy and macronutrient intake in a sample of previously sedentary, overweight/obese young adults. METHODS We conducted a 10 month trial in 141 young adults who were randomized to supervised exercise, 5 days•wk−1 at 400 and 600 kcal•session−1, or non-exercise control. Participants were instructed to maintain their usual ad-libitum diets. Energy/macronutrient intake was assessed at baseline, 3.5, 7 and 10 months over 7-day periods of ad libitum eating in a university cafeteria using digital photography. Foods consumed outside the cafeteria were assessed using multiple-pass recalls. RESULTS There were no significant between group differences in absolute energy intake at baseline or any other time point in the total sample or in men. In women, absolute energy intake was significantly greater in the 600 kcal•session−1 group vs. controls at both 3.5 and 7 months. There were no significant between group differences in relative energy intake (kcal•kg•d−1) at any time point in the total sample, men or women. There were no significant within or between group differences of change in absolute or relative energy intake in any of the 3 study groups in the total sample, or in men or women. No clinically relevant changes in macronutrient intake were observed. CONCLUSION Aerobic exercise training does not significantly alter energy or macronutrient intake in overweight and obese young adults. The possibility of a threshold level beyond which increased exercise energy expenditure fails to produce a more negative energy balance, and potential sex differences in the energy intake response to increased levels of exercise are potentially important. PMID:25574796

A unifying model for non-adiabatic coupling at metallic surfaces beyond the local harmonic approximation: From vibrational relaxation to scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Tremblay, Jean Christophe

2013-06-01

A model for treating excitation and relaxation of adsorbates at metallic surfaces induced by non-adiabatic coupling is developed. The derivation is based on the concept of resonant electron transfer, where the adsorbate serves as a molecular bridge for the inelastic transition between an electron source and a sink. In this picture, energy relaxation and scanning tunneling microscopy (STM) at metallic surfaces are treated on an equal footing as a quasi-thermal process. The model goes beyond the local harmonic approximation and allows for an unbiased description of floppy systems with multiple potential wells. Further, the limitation of the product ansatz for the vibronic wave function to include the position-dependence of the non-adiabatic couplings is avoided by explicitly enforcing detailed balance. The theory is applied to the excitation of hydrogen on palladium, which has multiple local potential minima connected by low energy barriers. The main aspects investigated are the lifetimes of adsorbate vibrations in different adsorption sites, as well as the dependence of the excitation, response, and transfer rates on an applied potential bias. The excitation and relaxation simulations reveal intricate population dynamics that depart significantly from the simplistic tunneling model in a truncated harmonic potential. In particular, the population decay from an initially occupied local minimum induced by the contact with an STM tip is found to be better described by a double exponential. The two rates are interpreted as a response to the system perturbation and a transfer rate following the perturbation. The transfer rate is found to obey a power law, as was the case in previous experimental and theoretical work.

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

The Potential Benefits of Earth Observations for the Water-Energy-Food Nexus and Beyond

NASA Astrophysics Data System (ADS)

Lawford, R. G.

2016-12-01

Earth Observations have been shown to have the potential to play an important role in the management of the Water-Energy-Food (W-E-F) Nexus. To date, their primary application has come through support to decisions related to the better use of water in the production of food and in the extraction of energy. However, to be fully effective, the uses of Earth observations should be coordinated across the sectors and appropriately applied at multiple levels of the governance process. This observation argues for a new approach to governance and management of the W-E-F Nexus that implements collaborative planning based on broader usage of Earth observations. The Future Earth W-E-F Nexus Cluster project has documented a number of ways in which Earth observations can support decision-making that benefits the management of these sectors and has identified gaps in the data and information systems needed for this purpose. This presentation will summarize those findings and discuss how the role of Earth observations could be strengthened and expanded to the Sustainable Development Goals and Integrated Water Resources Management.

Search for supersymmetry in 8 TeV proton-proton collision events with bottom-quark jets and missing transverse energy

NASA Astrophysics Data System (ADS)

Kreis, Benjamin

In the absence of meaningful federal action, many states have adopted clean energy policies aimed at reducing carbon emissions. Among these policies is the energy efficiency resource standard (EERS), adopted by 33 states mostly in the last decade, which sets an energy consumption reduction target for some or all regulated utilities within a state. My paper examines what factors affect a state's likelihood of adopting an EERS, and whether those factors are different for EERS policies compared with other clean energy policies. The energy policy literature features many studies of clean energy policy adoption, but none have focused specifically on EERS adoption. I theorized that energy efficiency potential being relatively homogeneously distributed across states (compared to renewable energy potential) and efficiency's relative inexpensiveness as a resource would result in a unique set of factors being associated with the likelihood of EERS adoption. Specifically, I expected that three internal determinants--the presence of utility rate decoupling in a state, a state's political ideology, and the state's average retail price of residential electricity--affect a state's likelihood of adopting an EERS. To test these hypotheses, I estimated several multiple regression models using an event history analysis approach and found that citizen liberalism, level of electricity consumption, and a time counter variable were all statistically significant and positive predictors of state adoption of an EERS, all else equal. I found no association between decoupling or electricity price and EERS adoption, though in the case of the former that may be a result of insufficient data.

Smart campus: Data on energy consumption in an ICT-driven university.

PubMed

Popoola, Segun I; Atayero, Aderemi A; Okanlawon, Theresa T; Omopariola, Benson I; Takpor, Olusegun A

2018-02-01

In this data article, we present a comprehensive dataset on electrical energy consumption in a university that is practically driven by Information and Communication Technologies (ICTs). The total amount of electricity consumed at Covenant University, Ota, Nigeria was measured, monitored, and recorded on daily basis for a period of 12 consecutive months (January-December, 2016). Energy readings were observed from the digital energy meter (EDMI Mk10E) located at the distribution substation that supplies electricity to the university community. The complete energy data are clearly presented in tables and graphs for relevant utility and potential reuse. Also, descriptive first-order statistical analyses of the energy data are provided in this data article. For each month, the histogram distribution and time series plot of the monthly energy consumption data are analyzed to show insightful trends of energy consumption in the university. Furthermore, data on the significant differences in the means of daily energy consumption are made available as obtained from one-way Analysis of Variance (ANOVA) and multiple comparison post-hoc tests. The information provided in this data article will foster research development in the areas of energy efficiency, planning, policy formulation, and management towards the realization of smart campuses.

The human body as an energetic hybrid? New perspectives for chronic disease treatment?

PubMed

Gajewski, Michał; Rzodkiewicz, Przemysław; Maśliński, Sławomir

2017-01-01

Inflammatory response is accompanied by changes in cellular energy metabolism. Proinflammatory mediators like plasma C-reactive protein, IL-6, plasminogen activator inhibitor-1, TNF-α or monocyte chemoattractant protein-1 released in the site of inflammation activates immune cells and increase energy consumption. Increased demand for energy creates local hypoxia and lead in consequence to mitochondrial dysfunction. Metabolism of cells is switched to anaerobic glycolysis. Mitochondria continuously generate free radicals that what result in imbalance that causes oxidative stress, which results in oxidative damage. Chronic energy imbalance promotes oxidative stress, aging, and neurodegeneration and is associated with numerous disorders like Alzheimer's disease, multiple sclerosis, Parkinson's disease or Huntington's disease. It is also believed that oxidative stress and the formation of free radicals play an important role in the pathogenesis of rheumatoid diseases including especially rheumatoid arthritis. Pharmacological control of energy metabolism disturbances may be valuable therapeutic strategy of treatment of this disorders. In recent review we sum up knowledge related to energy disturbances and discuss phenomena such as zombies or hibernation which may indicate the potential targets for regulation of energy metabolism.

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex

NASA Astrophysics Data System (ADS)

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C.

2017-08-01

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O2-O2, relevant for the theoretical description of collision-induced absorption in the forbidden X3Σg- → a1Δg and X3Σg- → b1Σg+ bands at 7883 cm-1 and 13 122 cm-1, respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O2-O2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Potential energy and dipole moment surfaces of the triplet states of the O2(X3Σg-) - O2(X3Σg-,a1Δg,b1Σg+) complex.

PubMed

Karman, Tijs; van der Avoird, Ad; Groenenboom, Gerrit C

2017-08-28

We compute four-dimensional diabatic potential energy surfaces and transition dipole moment surfaces of O 2 -O 2 , relevant for the theoretical description of collision-induced absorption in the forbidden X 3 Σ g -  → a 1 Δ g and X 3 Σ g -  → b 1 Σ g + bands at 7883 cm -1 and 13 122 cm -1 , respectively. We compute potentials at the multi-reference configuration interaction (MRCI) level and dipole surfaces at the MRCI and complete active space self-consistent field (CASSCF) levels of theory. Potentials and dipole surfaces are transformed to a diabatic basis using a recent multiple-property-based diabatization algorithm. We discuss the angular expansion of these surfaces, derive the symmetry constraints on the expansion coefficients, and present working equations for determining the expansion coefficients by numerical integration over the angles. We also present an interpolation scheme with exponential extrapolation to both short and large separations, which is used for representing the O 2 -O 2 distance dependence of the angular expansion coefficients. For the triplet ground state of the complex, the potential energy surface is in reasonable agreement with previous calculations, whereas global excited state potentials are reported here for the first time. The transition dipole moment surfaces are strongly dependent on the level of theory at which they are calculated, as is also shown here by benchmark calculations at high symmetry geometries. Therefore, ab initio calculations of the collision-induced absorption spectra cannot become quantitatively predictive unless more accurate transition dipole surfaces can be computed. This is left as an open question for method development in electronic structure theory. The calculated potential energy and transition dipole moment surfaces are employed in quantum dynamical calculations of collision-induced absorption spectra reported in Paper II [T. Karman et al., J. Chem. Phys. 147, 084307 (2017)].

Experimental studies of systematic multiple-energy operation at HIMAC synchrotron

NASA Astrophysics Data System (ADS)

Mizushima, K.; Katagiri, K.; Iwata, Y.; Furukawa, T.; Fujimoto, T.; Sato, S.; Hara, Y.; Shirai, T.; Noda, K.

2014-07-01

Multiple-energy synchrotron operation providing carbon-ion beams with various energies has been used for scanned particle therapy at NIRS. An energy range from 430 to 56 MeV/u and about 200 steps within this range are required to vary the Bragg peak position for effective treatment. The treatment also demands the slow extraction of beam with highly reliable properties, such as spill, position and size, for all energies. We propose an approach to generating multiple-energy operation meeting these requirements within a short time. In this approach, the device settings at most energy steps are determined without manual adjustments by using systematic parameter tuning depending on the beam energy. Experimental verification was carried out at the HIMAC synchrotron, and its results proved that this approach can greatly reduce the adjustment period.

MsSpec-1.0: A multiple scattering package for electron spectroscopies in material science

NASA Astrophysics Data System (ADS)

Sébilleau, Didier; Natoli, Calogero; Gavaza, George M.; Zhao, Haifeng; Da Pieve, Fabiana; Hatada, Keisuke

2011-12-01

We present a multiple scattering package to calculate the cross-section of various spectroscopies namely photoelectron diffraction (PED), Auger electron diffraction (AED), X-ray absorption (XAS), low-energy electron diffraction (LEED) and Auger photoelectron coincidence spectroscopy (APECS). This package is composed of three main codes, computing respectively the cluster, the potential and the cross-section. In the latter case, in order to cover a range of energies as wide as possible, three different algorithms are provided to perform the multiple scattering calculation: full matrix inversion, series expansion or correlation expansion of the multiple scattering matrix. Numerous other small Fortran codes or bash/csh shell scripts are also provided to perform specific tasks. The cross-section code is built by the user from a library of subroutines using a makefile. Program summaryProgram title: MsSpec-1.0 Catalogue identifier: AEJT_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEJT_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 504 438 No. of bytes in distributed program, including test data, etc.: 14 448 180 Distribution format: tar.gz Programming language: Fortran 77 Computer: Any Operating system: Linux, MacOs RAM: Bytes Classification: 7.2 External routines: Lapack ( http://www.netlib.org/lapack/) Nature of problem: Calculation of the cross-section of various spectroscopies. Solution method: Multiple scattering. Running time: The test runs provided only take a few seconds to run.

Wood chips for fuel and energy

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

Not Available

1978-01-01

A separate abstract was prepared for each of 13 individual presentations. Included in the appendices is: (1) a reprint from the journal Pulp and Paper, June 1978, by Larry Burkholder entitled, Wholetree Chipping Provides an Answer to Multiple Wood Fiber Use; and (2) a pictorial and graphical description of the York-Shipley (York, PA) Fluid Flame Solid Wastes Converter and list of installations using the converter. Also inluded as appendices are: (a) literature available on energy from biomass; (b) Canadian Government sources of information on use of biomass energy for industrial purposes; (c) list of New York State Dept. of Environmentalmore » Conservation Directors and Regional Foresters; (d) Northeast wood-fired boiler consulting firms; (e) list of suppliers of wood and wood residues as an energy source; (f) list of manufacturers of combustion and heat-recovery systems; (g) list of manufacturers of pollution control and monitoring equipment; and (h) potential sources of financing for energy-related projects in New York.« less

Free Energy Calculations using a Swarm-Enhanced Sampling Molecular Dynamics Approach.

PubMed

Burusco, Kepa K; Bruce, Neil J; Alibay, Irfan; Bryce, Richard A

2015-10-26

Free energy simulations are an established computational tool in modelling chemical change in the condensed phase. However, sampling of kinetically distinct substates remains a challenge to these approaches. As a route to addressing this, we link the methods of thermodynamic integration (TI) and swarm-enhanced sampling molecular dynamics (sesMD), where simulation replicas interact cooperatively to aid transitions over energy barriers. We illustrate the approach by using alchemical alkane transformations in solution, comparing them with the multiple independent trajectory TI (IT-TI) method. Free energy changes for transitions computed by using IT-TI grew increasingly inaccurate as the intramolecular barrier was heightened. By contrast, swarm-enhanced sampling TI (sesTI) calculations showed clear improvements in sampling efficiency, leading to more accurate computed free energy differences, even in the case of the highest barrier height. The sesTI approach, therefore, has potential in addressing chemical change in systems where conformations exist in slow exchange. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

The Etesian wind system and wind energy potential over the Aegean Sea

NASA Astrophysics Data System (ADS)

Dafka, Stella; Xoplaki, Elena; Garcia-Bustamante, Elena; Toreti, Andrea; Zanis, Prodromos; Luterbacher, Juerg

2013-04-01

The Mediterranean region lies in an area of great climatic interest since it is influenced by some of the most relevant mechanisms of the global climate system. In the frame of the three Europe 2020 priorities for a smart, sustainable and inclusive economy delivering high levels of employment, productivity and social cohesion, the Mediterranean energy plan is of paramount importance at the European level, being an area with a significant potential for renewable energy from natural sources that could play an important role in responding to climate change effects over the region. We present preliminary results on a study of the Etesian winds in the past, present and future time. We investigate the variability and predictability of the wind field over the Aegean. Statistical downscaling based on several methodologies will be applied (e.g. canonical correlation analysis and multiple linear regression). Instrumental time series, Era-Interim and the 20CR reanalyses will be used. Large-scale climate drivers as well as the influence of local/regional factors and their interaction with the Etesian wind field will be addressed. Finally, the Etesian wind resources on the present and future climate will be assessed in order to identify the potential areas suitable for the establishment of wind farms and the production of wind power in the Aegean Sea.

An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.

PubMed

McCarty, J; Clark, A J; Copperman, J; Guenza, M G

2014-05-28

Structural and thermodynamic consistency of coarse-graining models across multiple length scales is essential for the predictive role of multi-scale modeling and molecular dynamic simulations that use mesoscale descriptions. Our approach is a coarse-grained model based on integral equation theory, which can represent polymer chains at variable levels of chemical details. The model is analytical and depends on molecular and thermodynamic parameters of the system under study, as well as on the direct correlation function in the k → 0 limit, c0. A numerical solution to the PRISM integral equations is used to determine c0, by adjusting the value of the effective hard sphere diameter, dHS, to agree with the predicted equation of state. This single quantity parameterizes the coarse-grained potential, which is used to perform mesoscale simulations that are directly compared with atomistic-level simulations of the same system. We test our coarse-graining formalism by comparing structural correlations, isothermal compressibility, equation of state, Helmholtz and Gibbs free energies, and potential energy and entropy using both united atom and coarse-grained descriptions. We find quantitative agreement between the analytical formalism for the thermodynamic properties, and the results of Molecular Dynamics simulations, independent of the chosen level of representation. In the mesoscale description, the potential energy of the soft-particle interaction becomes a free energy in the coarse-grained coordinates which preserves the excess free energy from an ideal gas across all levels of description. The structural consistency between the united-atom and mesoscale descriptions means the relative entropy between descriptions has been minimized without any variational optimization parameters. The approach is general and applicable to any polymeric system in different thermodynamic conditions.

Feasibility study of tuned liquid column damper for ocean wave energy extraction

NASA Astrophysics Data System (ADS)

Wong, Yihong; King, Yeong-Jin; Lai, An-Chow; Chong, Kok-Keong; Lim, Boon-Han

2017-04-01

Intermittent nature and low efficiency are the major issues in renewable energy supply. To overcome these issues, one of the possible methods is through a hybrid system where multiple sources of renewable energy are combined to compensate each other's weaknesses. The hybrid of solar energy and wave energy becomes possible through the introduction of a stable floating platform which enables solar energy generation above it and wave energy harvesting underneath it. This paper is intended to study the feasibility of harnessing ocean wave energy using a tuned liquid column damper (TLCD), a type of passive damping device that is designed to suppress externally induced vibration force at a specific frequency range. The proposed TLCD is to be implemented within a floating offshore structure to serve as a vibration mitigating mechanism by reducing the dynamic response of the structure and simultaneously utilize the flowing motion of liquid within the TLCD for generating electricity. The constructed TLCD prototype is tuned according to theoretical study and tested using a shaking table with a predetermined frequency range. The oscillating motion of water within the TLCD and the potential of installation of hydro turbine generator in term of recoverable amount of energy are studied.

Temperature dependence of the Urbach optical absorption edge: A theory of multiple phonon absorption and emission sidebands

NASA Astrophysics Data System (ADS)

Grein, C. H.; John, Sajeev

1989-01-01

The optical absorption coefficient for subgap electronic transitions in crystalline and disordered semiconductors is calculated by first-principles means with use of a variational principle based on the Feynman path-integral representation of the transition amplitude. This incorporates the synergetic interplay of static disorder and the nonadiabatic quantum dynamics of the coupled electron-phonon system. Over photon-energy ranges of experimental interest, this method predicts accurate linear exponential Urbach behavior of the absorption coefficient. At finite temperatures the nonlinear electron-phonon interaction gives rise to multiple phonon emission and absorption sidebands which accompany the optically induced electronic transition. These sidebands dominate the absorption in the Urbach regime and account for the temperature dependence of the Urbach slope and energy gap. The physical picture which emerges is that the phonons absorbed from the heat bath are then reemitted into a dynamical polaronlike potential well which localizes the electron. At zero temperature we recover the usual polaron theory. At high temperatures the calculated tail is qualitatively similar to that of a static Gaussian random potential. This leads to a linear relationship between the Urbach slope and the downshift of the extrapolated continuum band edge as well as a temperature-independent Urbach focus. At very low temperatures, deviations from these rules are predicted arising from the true quantum dynamics of the lattice. Excellent agreement is found with experimental data on c-Si, a-Si:H, a-As2Se3, and a-As2S3. Results are compared with a simple physical argument based on the most-probable-potential-well method.

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

Rebolini, Elisa, E-mail: rebolini@lct.jussieu.fr; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr; Savin, Andreas, E-mail: savin@lct.jussieu.fr

We present a study of the variation of total energies and excitation energies along a range-separated adiabatic connection. This connection links the non-interacting Kohn–Sham electronic system to the physical interacting system by progressively switching on the electron–electron interactions whilst simultaneously adjusting a one-electron effective potential so as to keep the ground-state density constant. The interactions are introduced in a range-dependent manner, first introducing predominantly long-range, and then all-range, interactions as the physical system is approached, as opposed to the conventional adiabatic connection where the interactions are introduced by globally scaling the standard Coulomb interaction. Reference data are reported for themore » He and Be atoms and the H{sub 2} molecule, obtained by calculating the short-range effective potential at the full configuration-interaction level using Lieb's Legendre-transform approach. As the strength of the electron–electron interactions increases, the excitation energies, calculated for the partially interacting systems along the adiabatic connection, offer increasingly accurate approximations to the exact excitation energies. Importantly, the excitation energies calculated at an intermediate point of the adiabatic connection are much better approximations to the exact excitation energies than are the corresponding Kohn–Sham excitation energies. This is particularly evident in situations involving strong static correlation effects and states with multiple excitation character, such as the dissociating H{sub 2} molecule. These results highlight the utility of long-range interacting reference systems as a starting point for the calculation of excitation energies and are of interest for developing and analyzing practical approximate range-separated density-functional methodologies.« less

Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface.

PubMed

Li, Jun; Xie, Changjian; Guo, Hua

2017-08-30

A full dimensional accurate potential energy surface (PES) for the C( 3 P) and H 2 O reaction is developed based on ∼34 000 data points calculated at the level of the explicitly correlated unrestricted coupled cluster method with single, double, and perturbative triple excitations with the augmented correlation-consistent polarized triple zeta basis set (CCSD(T)-F12a/AVTZ). The PES is invariant with respect to the permutation of the two hydrogen atoms and the total root mean square error (RMSE) of the fit is only 0.31 kcal mol -1 . The PES features two barriers in the entrance channel and several potential minima, as well as multiple product channels. The rate coefficients of this reaction calculated using a transition-state theory and quasi-classical trajectory (QCT) method are small near room temperature, consistent with experiments. The reaction dynamics is also investigated with QCT on the new PES, which found that the reactivity is constrained by the entrance barriers and the final product branching is not statistical.

A multiple-scale turbulence model for incompressible flow

NASA Technical Reports Server (NTRS)

Duncan, B. S.; Liou, W. W.; Shih, T. H.

1993-01-01

A multiple-scale eddy viscosity model is described. This model splits the energy spectrum into a high wave number regime and a low wave number regime. Dividing the energy spectrum into multiple regimes simplistically emulates the cascade of energy through the turbulence spectrum. The constraints on the model coefficients are determined by examining decaying turbulence and homogeneous turbulence. A direct link between the partitioned energies and the energy transfer process is established through the coefficients. This new model was calibrated and tested for boundary-free turbulent shear flows. Calculations of mean and turbulent properties show good agreement with experimental data for two mixing layers, a plane jet and a round jet.

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

Bencze, G.; Chandler, C.

It is shown that the electric polarizability of the deuteron produces negligible effect on the cross section of deuteron induced rearrangement reactions even at extremely low energies. This assessment is based on simple analytical formulas, derived on the basis of {ital N}-particle scattering theory by means of the general two-potential formalism, including Coulomb and exchange effects. It is shown on the basis of general physical arguments that the polarizability effects at very low energies are entirely contained in a multiplicative enhancement factor that differs from 1 by at most a few percent. As a result enhancement of ({ital d},{ital p})more » relative to ({ital d},{ital n}) reactions is not possible by the Oppenheimer-Phillips mechanism.« less

Energy landscapes for machine learning

NASA Astrophysics Data System (ADS)

Ballard, Andrew J.; Das, Ritankar; Martiniani, Stefano; Mehta, Dhagash; Sagun, Levent; Stevenson, Jacob D.; Wales, David J.

Machine learning techniques are being increasingly used as flexible non-linear fitting and prediction tools in the physical sciences. Fitting functions that exhibit multiple solutions as local minima can be analysed in terms of the corresponding machine learning landscape. Methods to explore and visualise molecular potential energy landscapes can be applied to these machine learning landscapes to gain new insight into the solution space involved in training and the nature of the corresponding predictions. In particular, we can define quantities analogous to molecular structure, thermodynamics, and kinetics, and relate these emergent properties to the structure of the underlying landscape. This Perspective aims to describe these analogies with examples from recent applications, and suggest avenues for new interdisciplinary research.

Energy landscapes for a machine learning application to series data

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

Ballard, Andrew J.; Stevenson, Jacob D.; Das, Ritankar

2016-03-28

Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions for the outcome of local geometry optimisation in a triatomic cluster, where four distinct local minima exist. The accuracy of the predictions is compared for fits using data from single and multiple points in the series of atomic configurations resulting from local geometry optimisation and for alternative neural networks. The machine learning solution landscapes are visualised using disconnectivity graphs, and signatures in the effective heat capacity are analysed in termsmore » of distributions of local minima and their properties.« less

Onshore-offshore wind energy resource evaluation based on synergetic use of multiple satellite data and meteorological stations in Jiangsu Province, China

NASA Astrophysics Data System (ADS)

Wei, Xianglin; Duan, Yuewei; Liu, Yongxue; Jin, Song; Sun, Chao

2018-05-01

The demand for efficient and cost-effective renewable energy is increasing as traditional sources of energy such as oil, coal, and natural gas, can no longer satisfy growing global energy demands. Among renewable energies, wind energy is the most prominent due to its low, manageable impacts on the local environment. Based on meteorological data from 2006 to 2014 and multi-source satellite data (i.e., Advanced Scatterometer, Quick Scatterometer, and Windsat) from 1999 to 2015, an assessment of the onshore and offshore wind energy potential in Jiangsu Province was performed by calculating the average wind speed, average wind direction, wind power density, and annual energy production (AEP). Results show that Jiangsu has abundant wind energy resources, which increase from inland to coastal areas. In onshore areas, wind power density is predominantly less than 200 W/m2, while in offshore areas, wind power density is concentrates in the range of 328-500 W/m2. Onshore areas comprise more than 13,573.24 km2, mainly located in eastern coastal regions with good wind farm potential. The total wind power capacity in onshore areas could be as much as 2.06 x 105 GWh. Meanwhile, offshore wind power generation in Jiangsu Province is calculated to reach 2 x 106 GWh, which is approximately four times the electricity demand of the entire Jiangsu Province. This study validates the effective application of Advanced Scatterometer, Quick Scatterometer, and Windsat data to coastal wind energy monitoring in Jiangsu. Moreover, the methodology used in this study can be effectively applied to other similar coastal zones.

The "Gut Feeling": Breaking Down the Role of Gut Microbiome in Multiple Sclerosis.

PubMed

Freedman, Samantha N; Shahi, Shailesh K; Mangalam, Ashutosh K

2018-01-01

Multiple sclerosis (MS) is a chronic neuroinflammatory disease of the central nervous system with unknown etiology. Recently, the gut microbiota has emerged as a potential factor in the development of MS, with a number of studies having shown that patients with MS exhibit gut dysbiosis. The gut microbiota helps the host remain healthy by regulating various functions, including food metabolism, energy homeostasis, maintenance of the intestinal barrier, inhibition of colonization by pathogenic organisms, and shaping of both mucosal and systemic immune responses. Alteration of the gut microbiota, and subsequent changes in its metabolic network that perturb this homeostasis, may lead to intestinal and systemic disorders such as MS. Here we discuss the findings of recent MS microbiome studies and potential mechanisms through which gut microbiota can predispose to, or protect against, MS. These findings highlight the need of an improved understanding of the interactions between the microbiota and host for developing therapies based on gut commensals with which to treat MS.

WE-FG-207B-09: Experimental Assessment of Noise and Spatial Resolution in Virtual Non-Contrast Dual-Energy CT Images Across Multiple Patient Sizes and CT Systems

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

Montoya, J; Ferrero, A; Yu, L

Purpose: To investigate the noise and spatial resolution properties of virtual non-contrast (VNC) dual-energy CT images compared to true non-contrast (TNC) images across multiple patient sizes and CT systems. Methods: Torso-shaped water phantoms with lateral widths of 25, 30, 35, 40 and 45 cm and a high resolution bar pattern phantom (Catphan CTP528) were scanned using 2nd and 3rd generation dual-source CT systems (Scanner A: Somatom Definition Flash, Scanner B: Somatom Force, Siemens Healthcare) in dual-energy scan mode with the same radiation dose for a given phantom size. Tube potentials of 80/Sn140 and 100/Sn140 on Scanner A and 80/Sn150, 90/Sn150more » and 100/Sn150 on Scanner B were evaluated to examine the impact of spectral separation. Images were reconstructed using a medium sharp quantitative kernel (Qr40), 1.0-mm thickness, 1.0-mm interval and 20 cm field of view. Mixed images served as TNC images. VNC images were created using commercial software (Virtual Unenhanced, Syngo VIA Version VA30, Siemens Healthcare). The noise power spectrum (NPS), area under the NPS, peak frequency of the NPS and image noise were measured for every phantom size and tube potential combination in TNC and VNC images. Results were compared within and between CT systems. Results: Minimal shift in NPS peak frequencies was observed in VNC images compared to TNC for NPS having pronounced peaks. Image noise and area under the NPS were higher in VNC images compared to TNC images across all tube potentials and for scanner A compared to scanner B. Limiting spatial resolution was deemed to be identical between VNC and TNC images. Conclusion: Quantitative assessment of image quality in VNC images demonstrated higher noise but equivalent spatial resolution compared to TNC images. Decreased noise was observed in the 3rd generation dual-source CT system for tube potential pairs having greater spectral separation. Dr. McCollough receives research support from Siemens Healthcare.« less

Development and evaluation of a prototype concentrating solar collector with thermocline based thermal energy storage for residential thermal usage

DOE PAGES

Kumar, Vinod; Afrin, Samia; Ortega, Jesus; ...

2013-09-01

A prototype of a concentrating solar collector (CSC) receiver was designed, built, and evaluated on-sun at the University of Texas at El Paso in El Paso, TX. This prototype receiver consists of two parabolic trough-reflectors but, in principle, the design can be efficiently extended to multiple units for achieving a higher temperature throughput. Each reflector has a vacuum tube collector at the focal point of the trough. The solar collector system was combined with a single-tank thermocline thermal energy storage (TES) for off-solar thermal usage. The main goal of this study is to develop an advanced solar hot water systemmore » for most residential applications. The focus of this study is to investigate the feasibility and performance of the solar thermal system by employing the recent advancement in the TES—a thermocline based TES—system for the concentrating solar power technologies developed by the Sandia National Laboratories and National Renewable Energy Laboratories for electricity production. A CSC when combined with TES has potential to provide uninterrupted thermal energy for most residential usages. This paper presents a detailed description of prototype design and materials required. The thermal energy storage tank utilizes an insulated 170 l (45 gal) galvanized steel tank. In order to maintain thermocline in the TES tank, with hot water on top and cold water at the bottom, two plate distributors are installed in the tank. The data showed a significant enhancement in thermal energy generation. This thermocline based single tank presented a thermal energy storage potential for at least three days (with diminishing storage capacity) that test were performed. The whole prototype was made for approximately USD 355 (excludes any labor costs) and hence also has strong potential for supplying clean thermal energy in most developing countries. As a result, tests of the prototype were conducted in November 2011.« less

Field testing of two prototype air-source integrated heat pumps for net zero energy home (nZEH) application

DOE PAGES

Baxter, Van D.; Munk, Jeffrey D.

2017-11-08

By integrating multiple functions into a single system it offers potential efficiency and cost reduction benefits. Oak Ridge National Laboratory (ORNL) and its partners have designed, developed, and tested two air-source heat pump designs that not only provide space heating and cooling, but also water heating, dehumidification, and ventilation functions. Some details on the design, simulated performance, prototype field test, measured performance, and lessons learned are provided.

Summary Article: IEA HPP Annex 36: Quality Installation / Quality Maintenance Sensitivity Studies

DOE PAGES

Hourahan, Glenn; Domanski, Piotr; Baxter, Van D.

2015-01-30

The outcome from this Annex activity clearly identifies that poorly designed, installed, and/or maintained heat pumps operate inefficiently and waste considerable energy compared to their as-designed potential. Additionally, it is clear that small faults for a given field-observed practice are significant, that some attribute deviations (in various equipment applications and geographical locations) have a larger impact than others, and that multiple faults or deviations have a cumulative impact on heat pump performance.

Field testing of two prototype air-source integrated heat pumps for net zero energy home (nZEH) application

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

Baxter, Van D.; Munk, Jeffrey D.

By integrating multiple functions into a single system it offers potential efficiency and cost reduction benefits. Oak Ridge National Laboratory (ORNL) and its partners have designed, developed, and tested two air-source heat pump designs that not only provide space heating and cooling, but also water heating, dehumidification, and ventilation functions. Some details on the design, simulated performance, prototype field test, measured performance, and lessons learned are provided.

Forward-Backward Emission of Target Evaporated Fragments at High Energy Nucleus-Nucleus Collisions

NASA Astrophysics Data System (ADS)

Zhang, Zhi; Ma, Tian-Li; Zhang, Dong-Hai

The multiplicity distribution, multiplicity moments, scaled variance and entropy of target evaporated fragment emitted in forward and backward hemispheres in relativistic heavy ions induced emulsion heavy targets (AgBr) interactions are investigated. It is found that the multiplicity distribution can be fitted by the Gaussian distribution, and the fitting parameters are different between two hemispheres for all the interactions. The multiplicity moment increases with the order of the moment q, and second-order multiplicity moment is energy independent over the entire energy for all the interactions. The scaled variance is close to one for all the interactions. The entropy in forward hemisphere is greater than that in backward hemisphere for all the interactions.

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

Makhov, Dmitry V.; Shalashilin, Dmitrii V.; Glover, William J.

We present a new algorithm for ab initio quantum nonadiabatic molecular dynamics that combines the best features of ab initio Multiple Spawning (AIMS) and Multiconfigurational Ehrenfest (MCE) methods. In this new method, ab initio multiple cloning (AIMC), the individual trajectory basis functions (TBFs) follow Ehrenfest equations of motion (as in MCE). However, the basis set is expanded (as in AIMS) when these TBFs become sufficiently mixed, preventing prolonged evolution on an averaged potential energy surface. We refer to the expansion of the basis set as “cloning,” in analogy to the “spawning” procedure in AIMS. This synthesis of AIMS and MCEmore » allows us to leverage the benefits of mean-field evolution during periods of strong nonadiabatic coupling while simultaneously avoiding mean-field artifacts in Ehrenfest dynamics. We explore the use of time-displaced basis sets, “trains,” as a means of expanding the basis set for little cost. We also introduce a new bra-ket averaged Taylor expansion (BAT) to approximate the necessary potential energy and nonadiabatic coupling matrix elements. The BAT approximation avoids the necessity of computing electronic structure information at intermediate points between TBFs, as is usually done in saddle-point approximations used in AIMS. The efficiency of AIMC is demonstrated on the nonradiative decay of the first excited state of ethylene. The AIMC method has been implemented within the AIMS-MOLPRO package, which was extended to include Ehrenfest basis functions.« less

Multi-scale connectivity and graph theory highlight critical areas for conservation under climate change

USGS Publications Warehouse

Dilts, Thomas E.; Weisberg, Peter J.; Leitner, Phillip; Matocq, Marjorie D.; Inman, Richard D.; Nussear, Ken E.; Esque, Todd C.

2016-01-01

Conservation planning and biodiversity management require information on landscape connectivity across a range of spatial scales from individual home ranges to large regions. Reduction in landscape connectivity due changes in land-use or development is expected to act synergistically with alterations to habitat mosaic configuration arising from climate change. We illustrate a multi-scale connectivity framework to aid habitat conservation prioritization in the context of changing land use and climate. Our approach, which builds upon the strengths of multiple landscape connectivity methods including graph theory, circuit theory and least-cost path analysis, is here applied to the conservation planning requirements of the Mohave ground squirrel. The distribution of this California threatened species, as for numerous other desert species, overlaps with the proposed placement of several utility-scale renewable energy developments in the American Southwest. Our approach uses information derived at three spatial scales to forecast potential changes in habitat connectivity under various scenarios of energy development and climate change. By disentangling the potential effects of habitat loss and fragmentation across multiple scales, we identify priority conservation areas for both core habitat and critical corridor or stepping stone habitats. This approach is a first step toward applying graph theory to analyze habitat connectivity for species with continuously-distributed habitat, and should be applicable across a broad range of taxa.

The Evaluation of Developing Vehicle Technologies on the Fuel Economy of Long-Haul Trucks

DOE PAGES

Gao, Zhiming; Smith, David E.; Daw, C. Stuart; ...

2015-12-01

We present fuel savings estimates resulting from the combined implementation of multiple advanced energy management technologies in both conventional and parallel hybrid class 8 diesel trucks. The energy management technologies considered here have been specifically targeted by the 21st Century Truck Partnership (21 CTP) between the U.S. Department of Energy and U.S. industry and include advanced combustion engines, waste heat recovery, and reductions in auxiliary loads, rolling resistance, aerodynamic drag, and gross vehicle weight. Furthermore, we estimated that combined use of all these technologies in hybrid trucks has the potential to improve fuel economy by more than 60% compared tomore » current conventional trucks, but this requires careful system integration to avoid non-optimal interactions. Major factors to be considered in system integration are discussed.« less

Thermoelectric Energy Conversion Technology for High-Altitude Airships

NASA Technical Reports Server (NTRS)

Choi, Sang H.; Elliott, James R.; King, Glen C.; Park, Yeonjoon; Kim, Jae-Woo; Chu, Sang-Hyon

2011-01-01

The High Altitude Airship (HAA) has various application potential and mission scenarios that require onboard energy harvesting and power distribution systems. The power technology for HAA maneuverability and mission-oriented applications must come from its surroundings, e.g. solar power. The energy harvesting system considered for HAA is based on the advanced thermoelectric (ATE) materials being developed at NASA Langley Research Center. The materials selected for ATE are silicon germanium (SiGe) and bismuth telluride (Bi2Te3), in multiple layers. The layered structure of the advanced TE materials is specifically engineered to provide maximum efficiency for the corresponding range of operational temperatures. For three layers of the advanced TE materials that operate at high, medium, and low temperatures, correspondingly in a tandem mode, the cascaded efficiency is estimated to be greater than 60 percent.

Computational study of a calcium release-activated calcium channel

NASA Astrophysics Data System (ADS)

Talukdar, Keka; Shantappa, Anil

2016-05-01

The naturally occurring proteins that form hole in membrane are commonly known as ion channels. They play multiple roles in many important biological processes. Deletion or alteration of these channels often leads to serious problems in the physiological processes as it controls the flow of ions through it. The proper maintenance of the flow of ions, in turn, is required for normal health. Here we have investigated the behavior of a calcium release-activated calcium ion channel with pdb entry 4HKR in Drosophila Melanogaster. The equilibrium energy as well as molecular dynamics simulation is performed first. The protein is subjected to molecular dynamics simulation to find their energy minimized value. Simulation of the protein in the environment of water and ions has given us important results too. The solvation energy is also found using Charmm potential.

Exploring Energy Landscapes

NASA Astrophysics Data System (ADS)

Wales, David J.

2018-04-01

Recent advances in the potential energy landscapes approach are highlighted, including both theoretical and computational contributions. Treating the high dimensionality of molecular and condensed matter systems of contemporary interest is important for understanding how emergent properties are encoded in the landscape and for calculating these properties while faithfully representing barriers between different morphologies. The pathways characterized in full dimensionality, which are used to construct kinetic transition networks, may prove useful in guiding such calculations. The energy landscape perspective has also produced new procedures for structure prediction and analysis of thermodynamic properties. Basin-hopping global optimization, with alternative acceptance criteria and generalizations to multiple metric spaces, has been used to treat systems ranging from biomolecules to nanoalloy clusters and condensed matter. This review also illustrates how all this methodology, developed in the context of chemical physics, can be transferred to landscapes defined by cost functions associated with machine learning.

Neutron Radiography of Fluid Flow for Geothermal Energy Research

NASA Astrophysics Data System (ADS)

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

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

Multi Dimensional Honey Bee Foraging Algorithm Based on Optimal Energy Consumption

NASA Astrophysics Data System (ADS)

Saritha, R.; Vinod Chandra, S. S.

2017-10-01

In this paper a new nature inspired algorithm is proposed based on natural foraging behavior of multi-dimensional honey bee colonies. This method handles issues that arise when food is shared from multiple sources by multiple swarms at multiple destinations. The self organizing nature of natural honey bee swarms in multiple colonies is based on the principle of energy consumption. Swarms of multiple colonies select a food source to optimally fulfill the requirements of its colonies. This is based on the energy requirement for transporting food between a source and destination. Minimum use of energy leads to maximizing profit in each colony. The mathematical model proposed here is based on this principle. This has been successfully evaluated by applying it on multi-objective transportation problem for optimizing cost and time. The algorithm optimizes the needs at each destination in linear time.

Quantum Computational Calculations of the Ionization Energies of Acidic and Basic Amino Acids: Aspartate, Glutamate, Arginine, Lysine, and Histidine

NASA Astrophysics Data System (ADS)

de Guzman, C. P.; Andrianarijaona, M.; Lee, Y. S.; Andrianarijaona, V.

An extensive knowledge of the ionization energies of amino acids can provide vital information on protein sequencing, structure, and function. Acidic and basic amino acids are unique because they have three ionizable groups: the C-terminus, the N-terminus, and the side chain. The effects of multiple ionizable groups can be seen in how Aspartate's ionizable side chain heavily influences its preferred conformation (J Phys Chem A. 2011 April 7; 115(13): 2900-2912). Theoretical and experimental data on the ionization energies of many of these molecules is sparse. Considering each atom of the amino acid as a potential departing site for the electron gives insight on how the three ionizable groups affect the ionization process of the molecule and the dynamic coupling between the vibrational modes. In the following study, we optimized the structure of each acidic and basic amino acid then exported the three dimensional coordinates of the amino acids. We used ORCA to calculate single point energies for a region near the optimized coordinates and systematically went through the x, y, and z coordinates of each atom in the neutral and ionized forms of the amino acid. With the calculations, we were able to graph energy potential curves to better understand the quantum dynamic properties of the amino acids. The authors thank Pacific Union College Student Association for providing funds.

Plasma-based beam combiner for very high fluence and energy

DOE PAGES

Kirkwood, R. K.; Turnbull, D. P.; Chapman, T.; ...

2017-10-02

Extreme optical fluences, much beyond the damage threshold of conventional optics, are of interest for a range of high-energy-density physics applications. Nonlinear interactions of multiple beams in plasmas have the potential to produce optics that operate at much higher intensity and fluence than is possible in solids. In inertial confinement fusion experiments indirectly driven with lasers, many beams overlap in the plasma inside a hohlraum, and cross-beam energy transfer by Brillouin scattering has been employed to redistribute energy between laser beams within the target. Here in this paper, we show that in a hot, under-dense plasma the energy of manymore » input beams can be combined into a single well-collimated beam. The emerging beam has an energy of 4 kJ (over 1 ns) that is more than triple that of any incident beam, and a fluence that is more than double. Because the optic produced is plasma, and is diffractive, it is inherently capable of generating higher fluences in a single beam than solid-state refractive or reflective optics.« less

Avalanche multiplication and impact ionization in amorphous selenium photoconductive target

NASA Astrophysics Data System (ADS)

Park, Wug-Dong; Tanioka, Kenkichi

2014-03-01

The avalanche multiplication factor and the hole ionization coefficient in the amorphous selenium (a-Se) high-gain avalanche rushing amorphous photoconductor (HARP) target depend on the electric field. The phenomenon of avalanche multiplication and impact ionization in the 0.4-µm-thick a-Se HARP target is investigated. The hot carrier energy in the 0.4-µm-thick a-Se HARP target increases linearly as the target voltage increases. The energy relaxation length of hot carriers in the a-Se photoconductor of the 0.4-µm-thick HARP target saturates as the electric field increases. The average energy Eav of a hot carrier and the energy relaxation length λE in the a-Se photoconductor of the 0.4-µm-thick HARP target at 1 × 108 V/m were 0.25 eV and 2.5 nm, respectively. In addition, the hole ionization coefficient β and the avalanche multiplication factor M are derived as a function of the electric field, the average energy of a hot carrier, and the impact ionization energy. The experimental hole ionization coefficient β and the avalanche multiplication factor M in the 0.4-µm-thick a-Se HARP target agree with the theoretical results.

Rayleigh imaging in spectral mammography

NASA Astrophysics Data System (ADS)

Berggren, Karl; Danielsson, Mats; Fredenberg, Erik

2016-03-01

Spectral imaging is the acquisition of multiple images of an object at different energy spectra. In mammography, dual-energy imaging (spectral imaging with two energy levels) has been investigated for several applications, in particular material decomposition, which allows for quantitative analysis of breast composition and quantitative contrast-enhanced imaging. Material decomposition with dual-energy imaging is based on the assumption that there are two dominant photon interaction effects that determine linear attenuation: the photoelectric effect and Compton scattering. This assumption limits the number of basis materials, i.e. the number of materials that are possible to differentiate between, to two. However, Rayleigh scattering may account for more than 10% of the linear attenuation in the mammography energy range. In this work, we show that a modified version of a scanning multi-slit spectral photon-counting mammography system is able to acquire three images at different spectra and can be used for triple-energy imaging. We further show that triple-energy imaging in combination with the efficient scatter rejection of the system enables measurement of Rayleigh scattering, which adds an additional energy dependency to the linear attenuation and enables material decomposition with three basis materials. Three available basis materials have the potential to improve virtually all applications of spectral imaging.

Unlocking Flexibility: Energy Systems Integration [Guest Editorial

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

O'Malley, Mark; Kroposki, Benjamin

2017-01-01

The articles in this special section focus on energy systems integration (ESI). Electric power systems around the world are experiencing great changes, including the retirement of coal and nuclear plants along with a rapid increase in the use of natural gas turbines and variable renewable technologies such as wind and solar. There is also much more use of information and communications technologies to enhance the visibility and controllability of the grid. Flexibility of operation, the ability of a power system to respond to change in demand and supply, is critical to enable higher levels of variable generation. One way tomore » unlock this potential flexibility is to tap into other energy domains. This concept of interconnecting energy domains is called ESI. ESI is the process of coordinating the operation and planning of energy systems across multiple pathways and/or geographical scales to deliver reliable, cost-effective energy services with minimal impact on the environment. Integrating energy domains adds flexibility to the electrical power system. ESI includes interactions among energy vectors and with other large-scale infrastructures including water, transport, and data and communications networks, which are an enabling technology for ESI.« less

Nonadiabatic excited-state molecular dynamics: modeling photophysics in organic conjugated materials.

PubMed

Nelson, Tammie; Fernandez-Alberti, Sebastian; Roitberg, Adrian E; Tretiak, Sergei

2014-04-15

To design functional photoactive materials for a variety of technological applications, researchers need to understand their electronic properties in detail and have ways to control their photoinduced pathways. When excited by photons of light, organic conjugated materials (OCMs) show dynamics that are often characterized by large nonadiabatic (NA) couplings between multiple excited states through a breakdown of the Born-Oppenheimer (BO) approximation. Following photoexcitation, various nonradiative intraband relaxation pathways can lead to a number of complex processes. Therefore, computational simulation of nonadiabatic molecular dynamics is an indispensable tool for understanding complex photoinduced processes such as internal conversion, energy transfer, charge separation, and spatial localization of excitons. Over the years, we have developed a nonadiabatic excited-state molecular dynamics (NA-ESMD) framework that efficiently and accurately describes photoinduced phenomena in extended conjugated molecular systems. We use the fewest-switches surface hopping (FSSH) algorithm to treat quantum transitions among multiple adiabatic excited state potential energy surfaces (PESs). Extended molecular systems often contain hundreds of atoms and involve large densities of excited states that participate in the photoinduced dynamics. We can achieve an accurate description of the multiple excited states using the configuration interaction single (CIS) formalism with a semiempirical model Hamiltonian. Analytical techniques allow the trajectory to be propagated "on the fly" using the complete set of NA coupling terms and remove computational bottlenecks in the evaluation of excited-state gradients and NA couplings. Furthermore, the use of state-specific gradients for propagation of nuclei on the native excited-state PES eliminates the need for simplifications such as the classical path approximation (CPA), which only uses ground-state gradients. Thus, the NA-ESMD methodology offers a computationally tractable route for simulating hundreds of atoms on ~10 ps time scales where multiple coupled excited states are involved. In this Account, we review recent developments in the NA-ESMD modeling of photoinduced dynamics in extended conjugated molecules involving multiple coupled electronic states. We have successfully applied the outlined NA-ESMD framework to study ultrafast conformational planarization in polyfluorenes where the rate of torsional relaxation can be controlled based on the initial excitation. With the addition of the state reassignment algorithm to identify instances of unavoided crossings between noninteracting PESs, NA-ESMD can now be used to study systems in which these so-called trivial unavoided crossings are expected to predominate. We employ this technique to analyze the energy transfer between poly(phenylene vinylene) (PPV) segments where conformational fluctuations give rise to numerous instances of unavoided crossings leading to multiple pathways and complex energy transfer dynamics that cannot be described using a simple Förster model. In addition, we have investigated the mechanism of ultrafast unidirectional energy transfer in dendrimers composed of poly(phenylene ethynylene) (PPE) chromophores and have demonstrated that differential nuclear motion favors downhill energy transfer in dendrimers. The use of native excited-state gradients allows us to observe this feature.

Angular selective window systems: Assessment of technical potential for energy savings

DOE PAGES

Fernandes, Luis L.; Lee, Eleanor S.; McNeil, Andrew; ...

2014-10-16

Static angular selective shading systems block direct sunlight and admit daylight within a specific range of incident solar angles. The objective of this study is to quantify their potential to reduce energy use and peak demand in commercial buildings using state-of-the art whole-building computer simulation software that allows accurate modeling of the behavior of optically-complex fenestration systems such as angular selective systems. Three commercial systems were evaluated: a micro-perforated screen, a tubular shading structure, and an expanded metal mesh. This evaluation was performed through computer simulation for multiple climates (Chicago, Illinois and Houston, Texas), window-to-wall ratios (0.15-0.60), building codes (ASHRAEmore » 90.1-2004 and 2010) and lighting control configurations (with and without). The modeling of the optical complexity of the systems took advantage of the development of state-of-the-art versions of the EnergyPlus, Radiance and Window simulation tools. Results show significant reductions in perimeter zone energy use; the best system reached 28% and 47% savings, respectively without and with daylighting controls (ASHRAE 90.1-2004, south facade, Chicago,WWR=0.45). As a result, angular selectivity and thermal conductance of the angle-selective layer, as well as spectral selectivity of low-emissivity coatings, were identified as factors with significant impact on performance.« less

Carrier localization in In0.21Ga0.79As/GaAs multiple quantum wells: A modified Pässler model for the S-shaped temperature dependence of photoluminescence energy

NASA Astrophysics Data System (ADS)

Fraj, Ibtissem; Hidouri, Tarek; Saidi, Faouzi; Maaref, Hassen

2017-02-01

The optical properties of In0.21Ga0.79As/GaAs MQWs, with triple unequal layer thickness NW (3 nm), MW (6 nm) and WW (9 nm) grown on (001) and (113) GaAs substrates, is studied by using continuous wave photoluminescence (cw-PL) spectroscopy. A comparative study has been performed to demonstrate the influence of electric field and QW thickness on the exciton localization. An S-shaped form in temperature-dependent PL peak energy has been observed in polar middle QW (MW (113)) but not seen in non-polar ones (MW (001)). This behavior is linked to carrier localization in triangular potential and polarity. We have observed also this atypical evolution in non-polar wide QW (WW (001)) but not in non-polar middle QW (MW (001)), which is attributed to potential fluctuation in larger ones. With the aid of modified Pässler model for including the effect of localized states, we can persuasively reproduce the S-shaped temperature dependence of PL band gap energy and contribute to the estimated value of exciton localization energy. The values of σ are obtained from adjustment of experimental points, which indicate the degree of localization in QW layer.

Adenosine Triphosphate Metabolism Measured by Phosphorus Magnetic Resonance Spectroscopy: A Potential Biomarker for Multiple Sclerosis Severity.

PubMed

Kauv, Paul; Ayache, Samar S; Créange, Alain; Chalah, Moussa A; Lefaucheur, Jean-Pascal; Hodel, Jérôme; Brugières, Pierre

2017-01-01

Phosphorus magnetic resonance spectroscopy (31P-MRS) has previously shown abnormal changes in energy metabolites in the brain of multiple sclerosis (MS) patients. However, the relationship between these energy metabolites - particularly adenosine triphosphate (ATP) - and the disease severity remains unclear. The objective of this study was to determine whether measuring ATP metabolites can help to predict disease severity in MS patients. 31P-MRS at 3 tesla was performed in 9 relapsing remitting (RRMS), 9 secondary progressive MS patients (SPMS), and 10 age-matched healthy controls. ATP metabolites (expressed as %) in normally appearing white matter of the centrum semiovale were compared between patients and healthy controls. The relationship between Expanded Disability Status Scale (EDSS) and ATP metabolites was evaluated. RRMS and SPMS patients had higher phosphocreatine (PCr) and lower phosphodiesters than healthy controls. In addition, RRMS patients had higher β-ATP% than SPMS patients. β-ATP% was negatively correlated with EDSS in all patients. Our findings suggest a defective PCr metabolism in both patient groups, and a higher state of energy production in RRMS that might reflect a compensatory mechanism in face of the increased needs. The correlation of β-ATP with EDSS makes it a candidate biomarker for assessing MS disease severity. © 2017 S. Karger AG, Basel.

Light Absorption Enhancement of Silicon-Based Photovoltaic Devices with Multiple Bandgap Structures of Porous Silicon

PubMed Central

Wu, Kuen-Hsien; Li, Chong-Wei

2015-01-01

Porous-silicon (PS) multi-layered structures with three stacked PS layers of different porosity were prepared on silicon (Si) substrates by successively tuning the electrochemical-etching parameters in an anodization process. The three PS layers have different optical bandgap energy and construct a triple-layered PS (TLPS) structure with multiple bandgap energy. Photovoltaic devices were fabricated by depositing aluminum electrodes of Schottky contacts on the surfaces of the developed TLPS structures. The TLPS-based devices exhibit broadband photoresponses within the spectrum of the solar irradiation and get high photocurrent for the incident light of a tungsten lamp. The improved spectral responses of devices are owing to the multi-bandgap structures of TLPS, which are designed with a layered configuration analog to a tandem cell for absorbing a wider energy range of the incidental sun light. The large photocurrent is mainly ascribed to an enhanced light-absorption ability as a result of applying nanoporous-Si thin films as the surface layers to absorb the short-wavelength light and to improve the Schottky contacts of devices. Experimental results reveal that the multi-bandgap PS structures produced from electrochemical-etching of Si wafers are potentially promising for development of highly efficient Si-based solar cells. PMID:28793542

Nearshore energy subsidies support Lake Michigan fishes and invertebrates following major changes in food web structure

USGS Publications Warehouse

Turschak, Benjamin A; Bunnell, David B.; Czesny, Sergiusz J.; Höök, Tomas O.; Janssen, John; Warner, David M.; Bootsma, Harvey A

2014-01-01

Aquatic food webs that incorporate multiple energy channels (e.g. nearshore benthic or pelagic) with varying productivity and turnover rates convey stability to biological communities by providing multiple independent energy sources. Within the Lake Michigan food web, invasive dreissenid mussels have caused rapid changes to food web structure and potentially altered the channels through which consumers acquire energy. We used stable C and N isotopes to determine how Lake Michigan food web structure has changed in the past decade, coincident with the expansion of dreissenid mussels, decreased pelagic phytoplankton production and increased nearshore benthic algal production. Fish and invertebrate samples collected from sites around Lake Michigan were analyzed to determine taxa-specific 13C:12C (delta 13C) and 15N:14N (delta 15N) ratios. Sampling took place during two distinct periods, 2002-2003 and 2010-2012, that spanned the period of dreissenid expansion, and included nearshore, pelagic and profundal fish and invertebrate taxa. Magnitude and direction of the 13C shift indicated significantly greater reliance upon nearshore benthic energy sources among nearly all fish taxa as well as profundal invertebrates. Although the mechanisms underlying this 13C shift likely varied among species, possible causes include the transport of benthic algal production to offshore waters and an increased reliance on nearshore prey items. Delta 15N shifts were more variable and of smaller magnitude across taxa although declines in delta 15N among some pelagic fishes may indicate a shift to alternative prey resources. Lake Michigan fishes and invertebrates appear to have responded to dreissenid induced changes in nutrient and energy pathways by switching from pelagic to alternative nearshore energy subsidies. Although large shifts in energy allocation (i.e. pelagic to nearshore benthic) resulting from invasive species appear to have affected total production at upper trophic levels, changes in trophic structure and utilization of novel energy pathways may help to stabilize food webs following species invasions.

Resolving Shifting Patterns of Muscle Energy Use in Swimming Fish

PubMed Central

Gerry, Shannon P.; Ellerby, David J.

2014-01-01

Muscle metabolism dominates the energy costs of locomotion. Although in vivo measures of muscle strain, activity and force can indicate mechanical function, similar muscle-level measures of energy use are challenging to obtain. Without this information locomotor systems are essentially a black box in terms of the distribution of metabolic energy. Although in situ measurements of muscle metabolism are not practical in multiple muscles, the rate of blood flow to skeletal muscle tissue can be used as a proxy for aerobic metabolism, allowing the cost of particular muscle functions to be estimated. Axial, undulatory swimming is one of the most common modes of vertebrate locomotion. In fish, segmented myotomal muscles are the primary power source, driving undulations of the body axis that transfer momentum to the water. Multiple fins and the associated fin muscles also contribute to thrust production, and stabilization and control of the swimming trajectory. We have used blood flow tracers in swimming rainbow trout (Oncorhynchus mykiss) to estimate the regional distribution of energy use across the myotomal and fin muscle groups to reveal the functional distribution of metabolic energy use within a swimming animal for the first time. Energy use by the myotomal muscle increased with speed to meet thrust requirements, particularly in posterior myotomes where muscle power outputs are greatest. At low speeds, there was high fin muscle energy use, consistent with active stability control. As speed increased, and fins were adducted, overall fin muscle energy use declined, except in the caudal fin muscles where active fin stiffening is required to maintain power transfer to the wake. The present data were obtained under steady-state conditions which rarely apply in natural, physical environments. This approach also has potential to reveal the mechanical factors that underlie changes in locomotor cost associated with movement through unsteady flow regimes. PMID:25165858

New Stream-reach Development: A Comprehensive Assessment of Hydropower Energy Potential in the United States

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

Kao, Shih-Chieh; McManamay, Ryan A; Stewart, Kevin M

2014-04-01

The rapid development of multiple national geospatial datasets related to topography, hydrology, and environmental characteristics in the past decade have provided new opportunities for the refinement of hydropower resource potential from undeveloped stream-reaches. Through 2011 to 2013, the Oak Ridge National Laboratory (ORNL) was tasked by the Department of Energy (DOE) Water Power Program to evaluate the new stream-reach development (NSD) resource potential for more than 3 million US streams. A methodology was designed that contains three main components: (1) identification of stream-reaches with high energy density, (2) topographical analysis of stream-reaches to estimate inundated surface area and reservoir storage,more » and (3) environmental attribution to spatially join information related to the natural ecological systems, social and cultural settings, policies, management, and legal constraints to stream-reaches of energy potential. An initial report on methodology (Hadjerioua et al., 2013) was later reviewed and revised based on the comments gathered from two peer review workshops. After implementing the assessment across the entire United States, major findings were summarized in this final report. The estimated NSD capacity and generation, including both higher-energy-density (>1 MW per reach) and lower-energy-density (<1 MW per reach) stream-reaches is 84.7 GW, around the same size as the existing US conventional hydropower nameplate capacity (79.5 GW; NHAAP, 2013). In terms of energy, the total undeveloped NSD generation is estimated to be 460 TWh/year, around 169% of average 2002 2011 net annual generation from existing conventional hydropower plants (272 TWh/year; EIA, 2013). Given the run-of-river assumption, NSD stream-reaches have higher capacity factors (53 71%), especially compared with conventional larger-storage peaking-operation projects that usually have capacity factors of around 30%. The highest potential is identified in the Pacific Northwest Region (32%), followed by Missouri Region (15%) and California Region (9%). In terms of states, the highest potential is found in Oregon, Washington, and Idaho, the three states in the Pacific Northwest, followed by California, Alaska, Montana, and Colorado. In addition to the resource potential, abundant environmental attributes were also organized and attributed to the identified stream-reaches to support further hydropower market analysis. The prevalence of environmental variables and proportion of capacity from stream-reaches intersecting environmental variables varied according to hydrologic region. Detailed NSD findings are organized by hydrologic regions and presented in each chapter of this report.« less

Test-retest reliability and construct validity of the ENERGY-parent questionnaire on parenting practices, energy balance-related behaviours and their potential behavioural determinants: the ENERGY-project.

PubMed

Singh, Amika S; Chinapaw, Mai J M; Uijtdewilligen, Léonie; Vik, Froydis N; van Lippevelde, Wendy; Fernández-Alvira, Juan M; Stomfai, Sarolta; Manios, Yannis; van der Sluijs, Maria; Terwee, Caroline; Brug, Johannes

2012-08-13

Insight in parental energy balance-related behaviours, their determinants and parenting practices are important to inform childhood obesity prevention. Therefore, reliable and valid tools to measure these variables in large-scale population research are needed. The objective of the current study was to examine the test-retest reliability and construct validity of the parent questionnaire used in the ENERGY-project, assessing parental energy balance-related behaviours, their determinants, and parenting practices among parents of 10-12 year old children. We collected data among parents (n = 316 in the test-retest reliability study; n = 109 in the construct validity study) of 10-12 year-old children in six European countries, i.e. Belgium, Greece, Hungary, the Netherlands, Norway, and Spain. Test-retest reliability was assessed using the intra-class correlation coefficient (ICC) and percentage agreement comparing scores from two measurements, administered one week apart. To assess construct validity, the agreement between questionnaire responses and a subsequent interview was assessed using ICC and percentage agreement.All but one item showed good to excellent test-retest reliability as indicated by ICCs > .60 or percentage agreement ≥ 75%. Construct validity appeared to be good to excellent for 92 out of 121 items, as indicated by ICCs > .60 or percentage agreement ≥ 75%. From the other 29 items, construct validity was moderate for 24 and poor for 5 items. The reliability and construct validity of the items of the ENERGY-parent questionnaire on multiple energy balance-related behaviours, their potential determinants, and parenting practices appears to be good. Based on the results of the validity study, we strongly recommend adapting parts of the ENERGY-parent questionnaire if used in future research.

A population-based evolutionary search approach to the multiple minima problem in de novo protein structure prediction

PubMed Central

2013-01-01

Background Elucidating the native structure of a protein molecule from its sequence of amino acids, a problem known as de novo structure prediction, is a long standing challenge in computational structural biology. Difficulties in silico arise due to the high dimensionality of the protein conformational space and the ruggedness of the associated energy surface. The issue of multiple minima is a particularly troublesome hallmark of energy surfaces probed with current energy functions. In contrast to the true energy surface, these surfaces are weakly-funneled and rich in comparably deep minima populated by non-native structures. For this reason, many algorithms seek to be inclusive and obtain a broad view of the low-energy regions through an ensemble of low-energy (decoy) conformations. Conformational diversity in this ensemble is key to increasing the likelihood that the native structure has been captured. Methods We propose an evolutionary search approach to address the multiple-minima problem in decoy sampling for de novo structure prediction. Two population-based evolutionary search algorithms are presented that follow the basic approach of treating conformations as individuals in an evolving population. Coarse graining and molecular fragment replacement are used to efficiently obtain protein-like child conformations from parents. Potential energy is used both to bias parent selection and determine which subset of parents and children will be retained in the evolving population. The effect on the decoy ensemble of sampling minima directly is measured by additionally mapping a conformation to its nearest local minimum before considering it for retainment. The resulting memetic algorithm thus evolves not just a population of conformations but a population of local minima. Results and conclusions Results show that both algorithms are effective in terms of sampling conformations in proximity of the known native structure. The additional minimization is shown to be key to enhancing sampling capability and obtaining a diverse ensemble of decoy conformations, circumventing premature convergence to sub-optimal regions in the conformational space, and approaching the native structure with proximity that is comparable to state-of-the-art decoy sampling methods. The results are shown to be robust and valid when using two representative state-of-the-art coarse-grained energy functions. PMID:24565020

Novel Control Strategy for Multiple Run-of-the-River Hydro Power Plants to Provide Grid Ancillary Services

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

Mohanpurkar, Manish; Luo, Yusheng; Hovsapian, Rob

Electricity generated by Hydropower Plants (HPPs) contributes a considerable portion of bulk electricity generation and delivers it with a low carbon footprint. In fact, HPP electricity generation provides the largest share from renewable energy resources, which includes solar and wind energy. The increasing penetration of wind and solar penetration leads to a lowered inertia in the grid and hence poses stability challenges. In recent years, breakthrough in energy storage technologies have demonstrated the economic and technical feasibility of extensive deployments in power grids. Multiple ROR HPPs if integrated with scalable, multi time-step energy storage so that the total output canmore » be controlled. Although, the size of a single energy storage is far smaller than that of a typical reservoir, cohesively managing multiple sets of energy storage distributed in different locations is proposed. The ratings of storages and multiple ROR HPPs approximately equals the rating of a large, conventional HPP. The challenges associated with the system architecture and operation are described. Energy storage technologies such as supercapacitors, flywheels, batteries etc. can function as a dispatchable synthetic reservoir with a scalable size of energy storage will be integrated. Supercapacitors, flywheels, and battery are chosen to provide fast, medium, and slow responses to support grid requirements. Various dynamic and transient power grid conditions are simulated and performances of integrated ROR HPPs with energy storage is provided. The end goal of this research is to investigate the inertial equivalence of a large, conventional HPP with a unique set of multiple ROR HPPs and optimally rated energy storage systems.« less

A multiple-scale turbulence model for incompressible flow

NASA Technical Reports Server (NTRS)

Duncan, B. S.; Liou, W. W.; Shih, T. H.

1993-01-01

A multiple-scale eddy viscosity model is described in this paper. This model splits the energy spectrum into a high wave number regime and a low wave number regime. Dividing the energy spectrum into multiple regimes simplistically emulates the cascade of energy through the turbulence spectrum. The constraints on the model coefficients are determined by examining decaying turbulence and homogeneous turbulence. A direct link between the partitioned energies and the energy transfer process is established through the coefficients. This new model has been calibrated and tested for boundary-free turbulent shear flows. Calculations of mean and turbulent properties show good agreement with experimental data for two mixing layers, a plane jet and a round jet.

Hydrogen Energy Storage and Power-to-Gas: Establishing Criteria for Successful Business Cases

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

Eichman, Joshua; Melaina, Marc

As the electric sector evolves and increasing amounts of variable generation are installed on the system, there are greater needs for system flexibility, sufficient capacity and greater concern for overgeneration. As a result there is growing interest in exploring the role of energy storage and demand response technologies to support grid needs. Hydrogen is a versatile feedstock that can be used in a variety of applications including chemical and industrial processes, as well as a transportation fuel and heating fuel. Traditionally, hydrogen technologies focus on providing services to a single sector; however, participating in multiple sectors has the potential tomore » provide benefits to each sector and increase the revenue for hydrogen technologies. The goal of this work is to explore promising system configurations for hydrogen systems and the conditions that will make for successful business cases in a renewable, low-carbon future. Current electricity market data, electric and gas infrastructure data and credit and incentive information are used to perform a techno-economic analysis to identify promising criteria and locations for successful hydrogen energy storage and power-to-gas projects. Infrastructure data will be assessed using geographic information system applications. An operation optimization model is used to co-optimizes participation in energy and ancillary service markets as well as the sale of hydrogen. From previous work we recognize the great opportunity that energy storage and power-to-gas but there is a lack of information about the economic favorability of such systems. This work explores criteria for selecting locations and compares the system cost and potential revenue to establish competitiveness for a variety of equipment configurations. Hydrogen technologies offer unique system flexibility that can enable interactions between multiple energy sectors including electric, transport, heating fuel and industrial. Previous research established that hydrogen technologies, and in particular electrolyzers, can respond fast enough and for sufficient duration to participate in electricity markets. This work recognizes that participation in electricity markets and integration with the gas system can enhance the revenue streams available for hydrogen storage systems and quantifies the economic competitiveness and of these systems. A few of the key results include 1) the most valuable revenue stream for hydrogen systems is to sell the produced hydrogen, 2) participation in both energy and ancillary service markets yields the greatest revenue and 3) electrolyzers acting as demand response devices are particularly favorable.« less

Fabrication and characterization of non-resonant magneto-mechanical low-frequency vibration energy harvester

NASA Astrophysics Data System (ADS)

Nammari, Abdullah; Caskey, Logan; Negrete, Johnny; Bardaweel, Hamzeh

2018-03-01

This article presents a non-resonant magneto-mechanical vibration energy harvester. When externally excited, the energy harvester converts vibrations into electric charge using a guided levitated magnet oscillating inside a multi-turn coil that is fixed around the exterior of the energy harvester. The levitated magnet is guided using four oblique mechanical springs. A prototype of the energy harvester is fabricated using additive manufacturing. Both experiment and model are used to characterize the static and dynamic behavior of the energy harvester. Measured restoring forces show that the fabricated energy harvester retains a mono-stable potential energy well with desired stiffness nonlinearities. Results show that magnetic spring results in hardening effect which increases the resonant frequency of the energy harvester. Additionally, oblique mechanical springs introduce geometric, negative, nonlinear stiffness which improves the harvester's response towards lower frequency spectrum. The unique design can produce a tunable energy harvester with multi-well potential energy characteristics. A finite element model is developed to estimate the average radial flux density experienced by the multi-turn coil. Also, a lumped parameter model of the energy harvester is developed and validated against measured data. Both upward and downward frequency sweeps are performed to determine the frequency response of the harvester. Results show that at higher excitation levels hardening effects become more apparent, and the system dynamic response turns into non-resonant. Frequency response curves exhibit frequency jump phenomena as a result of coexistence of multiple energy states at the frequency branch. The fabricated energy harvester is hand-held and measures approximately 100.5 [cm3] total volume. For a base excitation of 1.0 g [m/s2], the prototype generates a peak voltage and normalized power density of approximately 3.5 [V] and 0.133 [mW/cm3 g2], respectively, at 15.5 [Hz].

Wave resource variability: Impacts on wave power supply over regional to international scales

NASA Astrophysics Data System (ADS)

Smith, Helen; Fairley, Iain; Robertson, Bryson; Abusara, Mohammad; Masters, Ian

2017-04-01

The intermittent, irregular and variable nature of the wave energy resource has implications for the supply of wave-generated electricity into the grid. Intermittency of renewable power may lead to frequency and voltage fluctuations in the transmission and distribution networks. A matching supply of electricity must be planned to meet the predicted demand, leading to a need for gas-fired and back-up generating plants to supplement intermittent supplies, and potentially limiting the integration of intermittent power into the grid. Issues relating to resource intermittency and their mitigation through the development of spatially separated sites have been widely researched in the wind industry, but have received little attention to date in the less mature wave industry. This study analyses the wave resource over three different spatial scales to investigate the potential impacts of the temporal and spatial resource variability on the grid supply. The primary focus is the Southwest UK, a region already home to multiple existing and proposed wave energy test sites. Concurrent wave buoy data from six locations, supported by SWAN wave model hindcast data, are analysed to assess the correlation of the resource across the region and the variation in wave power with direction. Power matrices for theoretical nearshore and offshore devices are used to calculate the maximum step change in generated power across the region as the number of deployment sites is increased. The step change analysis is also applied across national and international spatial scales using output from the European Centre for Medium-range Weather Forecasting (ECMWF) ERA-Interim hindcast model. It is found that the deployment of multiple wave energy sites, whether on a regional, national or international scale, results in both a reduction in step changes in power and reduced times of zero generation, leading to an overall smoothing of the wave-generated electrical power. This has implications for the planning and siting of future wave energy arrays when the industry reaches the point of large-scale deployment.

Energy dissipation by submarine obstacles during landslide impact on reservoir - potentially avoiding catastrophic dam collapse

NASA Astrophysics Data System (ADS)

Kafle, Jeevan; Kattel, Parameshwari; Mergili, Martin; Fischer, Jan-Thomas; Tuladhar, Bhadra Man; Pudasaini, Shiva P.

2017-04-01

Dense geophysical mass flows such as landslides, debris flows and debris avalanches may generate super tsunami waves as they impact water bodies such as the sea, hydraulic reservoirs or mountain lakes. Here, we apply a comprehensive and general two-phase, physical-mathematical mass flow model (Pudasaini, 2012) that consists of non-linear and hyperbolic-parabolic partial differential equations for mass and momentum balances, and present novel, high-resolution simulation results for two-phase flows, as a mixture of solid grains and viscous fluid, impacting fluid reservoirs with obstacles. The simulations demonstrate that due to the presence of different obstacles in the water body, the intense flow-obstacle-interaction dramatically reduces the flow momentum resulting in the rapid energy dissipation around the obstacles. With the increase of obstacle height overtopping decreases but, the deflection and capturing (holding) of solid mass increases. In addition, the submarine solid mass is captured by the multiple obstacles and the moving mass decreases both in amount and speed as each obstacle causes the flow to deflect into two streams and also captures a portion of it. This results in distinct tsunami and submarine flow dynamics with multiple surface water and submarine debris waves. This novel approach can be implemented in open source GIS modelling framework r.avaflow, and be applied in hazard mitigation, prevention and relevant engineering or environmental tasks. This might be in particular for process chains, such as debris impacts in lakes and subsequent overtopping. So, as the complex flow-obstacle-interactions strongly and simultaneously dissipate huge energy at impact such installations potentially avoid great threat against the integrity of the dam. References: Pudasaini, S. P. (2012): A general two-phase debris flow model. J. Geophys. Res. 117, F03010, doi: 10.1029/ 2011JF002186.

Fission prompt gamma-ray multiplicity distribution measurements and simulations at DANCE

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

Chyzh, A; Wu, C Y; Ullmann, J

2010-08-24

The nearly energy independence of the DANCE efficiency and multiplicity response to {gamma} rays makes it possible to measure the prompt {gamma}-ray multiplicity distribution in fission. We demonstrate this unique capability of DANCE through the comparison of {gamma}-ray energy and multiplicity distribution between the measurement and numerical simulation for three radioactive sources {sup 22}Na, {sup 60}Co, and {sup 88}Y. The prospect for measuring the {gamma}-ray multiplicity distribution for both spontaneous and neutron-induced fission is discussed.

Self-sustained reduction of multiple metals in a microbial fuel cell-microbial electrolysis cell hybrid system.

PubMed

Li, Yan; Wu, Yining; Liu, Bingchuan; Luan, Hongwei; Vadas, Timothy; Guo, Wanqian; Ding, Jie; Li, Baikun

2015-09-01

A self-sustained hybrid bioelectrochemical system consisting of microbial fuel cell (MFC) and microbial electrolysis cell (MEC) was developed to reduce multiple metals simultaneously by utilizing different reaction potentials. Three heavy metals representing spontaneous reaction (chromium, Cr) and unspontaneous reaction (lead, Pb and nickel, Ni) were selected in this batch-mode study. The maximum power density of the MFC achieved 189.4 mW m(-2), and the energy recovery relative to the energy storage circuit (ESC) was ∼ 450%. At the initial concentration of 100 mg L(-1), the average reduction rate of Cr(VI) was 30.0 mg L(-1) d(-1), Pb(II) 32.7 mg L(-1) d(-1), and Ni(II) 8.9 mg L(-1) d(-1). An electrochemical model was developed to predict the change of metal concentration over time. The power output of the MFC was sufficient to meet the requirement of the ESC and MEC, and the "self-sustained metal reduction" was achieved in this hybrid system. Published by Elsevier Ltd.

Ion Engine Plume Interaction Calculations for Prototypical Prometheus 1

NASA Technical Reports Server (NTRS)

Mandell, Myron J.; Kuharski, Robert A.; Gardner, Barbara M.; Katz, Ira; Randolph, Tom; Dougherty, Ryan; Ferguson, Dale C.

2005-01-01

Prometheus 1 is a conceptual mission to demonstrate the use of atomic energy for distant space missions. The hypothetical spacecraft design considered in this paper calls for multiple ion thrusters, each with considerably higher beam energy and beam current than have previously flown in space. The engineering challenges posed by such powerful thrusters relate not only to the thrusters themselves, but also to designing the spacecraft to avoid potentially deleterious effects of the thruster plumes. Accommodation of these thrusters requires good prediction of the highest angle portions of the main beam, as well as knowledge of clastically scattered and charge exchange ions, predictions for grid erosion and contamination of surfaces by eroded grid material, and effects of the plasma plume on radio transmissions. Nonlinear interactions of multiple thrusters are also of concern. In this paper we describe two- and three-dimensional calculations for plume structure and effects of conceptual Prometheus 1 ion engines. Many of the techniques used have been validated by application to ground test data for the NSTAR and NEXT ion engines. Predictions for plume structure and possible sputtering and contamination effects will be presented.

Demyelination in Multiple Sclerosis: Reprogramming Energy Metabolism and Potential PPARγ Agonist Treatment Approaches

PubMed Central

Lecarpentier, Yves; Guillevin, Rémy; Vallée, Jean-Noël

2018-01-01

Demyelination in multiple sclerosis (MS) cells is the site of several energy metabolic abnormalities driven by dysregulation between the opposed interplay of peroxisome proliferator-activated receptor γ (PPARγ) and WNT/β-catenin pathways. We focus our review on the opposing interactions observed in demyelinating processes in MS between the canonical WNT/β-catenin pathway and PPARγ and their reprogramming energy metabolism implications. Demyelination in MS is associated with chronic inflammation, which is itself associated with the release of cytokines by CD4+ Th17 cells, and downregulation of PPARγ expression leading to the upregulation of the WNT/β-catenin pathway. Upregulation of WNT/β-catenin signaling induces activation of glycolytic enzymes that modify their energy metabolic behavior. Then, in MS cells, a large portion of cytosolic pyruvate is converted into lactate. This phenomenon is called the Warburg effect, despite the availability of oxygen. The Warburg effect is the shift of an energy transfer production from mitochondrial oxidative phosphorylation to aerobic glycolysis. Lactate production is correlated with increased WNT/β-catenin signaling and demyelinating processes by inducing dysfunction of CD4+ T cells leading to axonal and neuronal damage. In MS, downregulation of PPARγ decreases insulin sensitivity and increases neuroinflammation. PPARγ agonists inhibit Th17 differentiation in CD4+ T cells and then diminish release of cytokines. In MS, abnormalities in the regulation of circadian rhythms stimulate the WNT pathway to initiate the demyelination process. Moreover, PPARγ contributes to the regulation of some key circadian genes. Thus, PPARγ agonists interfere with reprogramming energy metabolism by directly inhibiting the WNT/β-catenin pathway and circadian rhythms and could appear as promising treatments in MS due to these interactions. PMID:29659554

Demyelination in Multiple Sclerosis: Reprogramming Energy Metabolism and Potential PPARγ Agonist Treatment Approaches.

PubMed

Vallée, Alexandre; Lecarpentier, Yves; Guillevin, Rémy; Vallée, Jean-Noël

2018-04-16

Demyelination in multiple sclerosis (MS) cells is the site of several energy metabolic abnormalities driven by dysregulation between the opposed interplay of peroxisome proliferator-activated receptor γ (PPARγ) and WNT/β-catenin pathways. We focus our review on the opposing interactions observed in demyelinating processes in MS between the canonical WNT/β-catenin pathway and PPARγ and their reprogramming energy metabolism implications. Demyelination in MS is associated with chronic inflammation, which is itself associated with the release of cytokines by CD4⁺ Th17 cells, and downregulation of PPARγ expression leading to the upregulation of the WNT/β-catenin pathway. Upregulation of WNT/β-catenin signaling induces activation of glycolytic enzymes that modify their energy metabolic behavior. Then, in MS cells, a large portion of cytosolic pyruvate is converted into lactate. This phenomenon is called the Warburg effect, despite the availability of oxygen. The Warburg effect is the shift of an energy transfer production from mitochondrial oxidative phosphorylation to aerobic glycolysis. Lactate production is correlated with increased WNT/β-catenin signaling and demyelinating processes by inducing dysfunction of CD4⁺ T cells leading to axonal and neuronal damage. In MS, downregulation of PPARγ decreases insulin sensitivity and increases neuroinflammation. PPARγ agonists inhibit Th17 differentiation in CD4⁺ T cells and then diminish release of cytokines. In MS, abnormalities in the regulation of circadian rhythms stimulate the WNT pathway to initiate the demyelination process. Moreover, PPARγ contributes to the regulation of some key circadian genes. Thus, PPARγ agonists interfere with reprogramming energy metabolism by directly inhibiting the WNT/β-catenin pathway and circadian rhythms and could appear as promising treatments in MS due to these interactions.

Dynamics Sampling in Transition Pathway Space.

PubMed

Zhou, Hongyu; Tao, Peng

2018-01-09

The minimum energy pathway contains important information describing the transition between two states on a potential energy surface (PES). Chain-of-states methods were developed to efficiently calculate minimum energy pathways connecting two stable states. In the chain-of-states framework, a series of structures are generated and optimized to represent the minimum energy pathway connecting two states. However, multiple pathways may exist connecting two existing states and should be identified to obtain a full view of the transitions. Therefore, we developed an enhanced sampling method, named as the direct pathway dynamics sampling (DPDS) method, to facilitate exploration of a PES for multiple pathways connecting two stable states as well as addition minima and their associated transition pathways. In the DPDS method, molecular dynamics simulations are carried out on the targeting PES within a chain-of-states framework to directly sample the transition pathway space. The simulations of DPDS could be regulated by two parameters controlling distance among states along the pathway and smoothness of the pathway. One advantage of the chain-of-states framework is that no specific reaction coordinates are necessary to generate the reaction pathway, because such information is implicitly represented by the structures along the pathway. The chain-of-states setup in a DPDS method greatly enhances the sufficient sampling in high-energy space between two end states, such as transition states. By removing the constraint on the end states of the pathway, DPDS will also sample pathways connecting minima on a PES in addition to the end points of the starting pathway. This feature makes DPDS an ideal method to directly explore transition pathway space. Three examples demonstrate the efficiency of DPDS methods in sampling the high-energy area important for reactions on the PES.

Geophysical Potential for Wind Energy over the Open Oceans

NASA Astrophysics Data System (ADS)

Possner, A.; Caldeira, K.

2017-12-01

Wind turbines continuously remove kinetic energy from the lower troposphere thereby reducing the wind speed near hub height. The rate of electricity generation in large wind farms containing multiple wind arrays is therefore constrained by the rate of kinetic energy replenishment from the atmosphere above. In particular, this study focuses on the maximum sustained transport of kinetic energy through the troposphere to the lowest hundreds of meters above the surface. In recent years, a growing body of research argues that the rate of generated power is limited to around 1.5 Wm-2 within large wind farms. However, in this study we demonstrate that considerably higher power generation rates may be sustainable over some open ocean areas in giant wind farms. We find that in the North Atlantic maximum extraction rates of up to 6.7 Wm-2 may be sustained by the atmosphere in the annual mean over giant wind farm areas approaching the size of Greenland. In contrast, only a third of this rate is sustained on land for areas of equivalent size. Our simulations indicate a fundamental difference in response of the troposphere and its vertical kinetic energy flux to giant near-surface wind farms. We find that the surface heat flux from the oceans to the atmosphere may play an important role in creating regions where large sustained rates of downward transport of kinetic energy and thus rates of kinetic energy extraction may be geophysically possible. While no commercial-scale deep-water wind turbines yet exist, our results suggest that such technologies, if they became technically and economically feasible, could potentially provide civilization-scale power.

Experiment in multiple-criteria energy policy analysis

NASA Astrophysics Data System (ADS)

Ho, J. K.

1980-07-01

An international panel of energy analysts participated in an experiment to use HOPE (holistic preference evaluation): an interactive parametric linear programming method for multiple criteria optimization. The criteria of cost, environmental effect, crude oil, and nuclear fuel were considered, according to BESOM: an energy model for the US in the year 2000.

Single and multiple objective biomass-to-biofuel supply chain optimization considering environmental impacts

NASA Astrophysics Data System (ADS)

Valles Sosa, Claudia Evangelina

Bioenergy has become an important alternative source of energy to alleviate the reliance on petroleum energy. Bioenergy offers diminishing climate change by reducing Green House Gas Emissions, as well as providing energy security and enhancing rural development. The Energy Independence and Security Act mandate the use of 21 billion gallons of advanced biofuels including 16 billion gallons of cellulosic biofuels by the year 2022. It is clear that Biomass can make a substantial contribution to supply future energy demand in a sustainable way. However, the supply of sustainable energy is one of the main challenges that mankind will face over the coming decades. For instance, many logistical challenges will be faced in order to provide an efficient and reliable supply of quality feedstock to biorefineries. 700 million tons of biomass will be required to be sustainably delivered to biorefineries annually to meet the projected use of biofuels by the year of 2022. Approaching this complex logistic problem as a multi-commodity network flow structure, the present work proposes the use of a genetic algorithm as a single objective optimization problem that considers the maximization of profit and the present work also proposes the use of a Multiple Objective Evolutionary Algorithm to simultaneously maximize profit while minimizing global warming potential. Most transportation optimization problems available in the literature have mostly considered the maximization of profit or the minimization of total travel time as potential objectives to be optimized. However, on this research work, we take a more conscious and sustainable approach for this logistic problem. Planners are increasingly expected to adopt a multi-disciplinary approach, especially due to the rising importance of environmental stewardship. The role of a transportation planner and designer is shifting from simple economic analysis to promoting sustainability through the integration of environmental objectives. To respond to these new challenges, the Modified Multiple Objective Evolutionary Algorithm for the design optimization of a biomass to bio-refinery logistic system that considers the simultaneous maximization of the total profit and the minimization of three environmental impacts is presented. Sustainability balances economic, social and environmental goals and objectives. There exist several works in the literature that have considered economic and environmental objectives for the presented supply chain problem. However, there is a lack of research performed in the social aspect of a sustainable logistics system. This work proposes a methodology to integrate social aspect assessment, based on employment creation. Finally, most of the assessment methodologies considered in the literature only contemplate deterministic values, when in realistic situations uncertainties in the supply chain are present. In this work, Value-at-Risk, an advanced risk measure commonly used in portfolio optimization is included to consider the uncertainties in biofuel prices, among the others.

The forward rainbow scattering of low energy protons by a graphene sheet

NASA Astrophysics Data System (ADS)

Ćosić, M.; Petrović, S.; Nešković, N.

2018-05-01

This article studies the rainbow scattering of 5-keV protons by the single sheet of free-standing graphene and its possible use as a tool for investigation of the ion-graphene interaction. The proton-graphene interaction potential was constructed by using the Doyle-Turner, ZBL, and Molière proton-carbon interaction potentials. The thermal motion of carbon atoms was included by averaging the potentials according to the Debye model. Proton trajectories were obtained by numerical solution of the corresponding Newton equations of motion. They were used to obtain the mapping of the proton initial positions to their scattering angles. Morphological properties of the introduced mapping including its multiplicity and the rainbow singularities were used to explain important features of the obtained angular distributions of transmitted protons.

Simultaneous energy harvesting and information processing in wireless multiple relays with multiple antennas

NASA Astrophysics Data System (ADS)

Albaaj, Azhar; Makki, S. Vahab A.; Alabkhat, Qassem; Zahedi, Abdulhamid

2017-07-01

Wireless networks suffer from battery discharging specially in cooperative communications when multiple relays have an important role but they are energy constrained. To overcome this problem, energy harvesting from radio frequency signals is applied to charge the node battery. These intermediate nodes have the ability to harvest energy from the source signal and use the energy harvested to transmit information to the destination. In fact, the node tries to harvest energy and then transmit the data to destination. Division of energy harvesting and data transmission can be done in two algorithms: time-switching-based relaying protocol and power-splitting-based relaying protocol. These two algorithms also can be applied in delay-limited and delay-tolerant transmission systems. The previous works have assumed a single relay for energy harvesting, but in this article, the proposed method is concentrated on improving the outage probability and throughput by using multiple antennas in each relay node instead of using single antenna. According to our simulation results, when using multi-antenna relays, ability of energy harvesting is increased and thus system performance will be improved to great extent. Maximum ratio combining scheme has been used when the destination chooses the best signal of relays and antennas satisfying the required signal-to-noise ratio.

VAX-11 Programs for Computing Available Potential Energy from CTD Data.

DTIC Science & Technology

1981-08-01

the plots can be plotted as many times as desired. The use of the translators is described at the end of section 3. The multiple branch structure of...are listed later in this section, and short * versions of them may be obtained on the terminal any time the program prompts the user for branch number...input, by typing 0/. Within each branch there may be options which are accessible by varying parameters input by the user at the time the branch

Matrix photochemistry of small molecules: Influencing reaction dynamics on electronically excited hypersurfaces

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

Laursen, S.L.

Investigations of chemical reactions on electronically excited reaction surfaces are presented. The role of excited-surface multiplicity is of particular interest, as are chemical reactivity and energy transfer in systems in which photochemistry is initiated through a metal atom sensitizer.'' Two approaches are employed: A heavy-atom matrix affords access to forbidden triplet reaction surfaces, eliminating the need for a potentially reactive sensitizer. Later, the role of the metal atom in the photosensitization process is examined directly.

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

KLARER,PAUL R.; BINDER,ALAN B.; LENARD,ROGER X.

A preliminary set of requirements for a robotic rover mission to the lunar polar region are described and assessed. Tasks to be performed by the rover include core drill sample acquisition, mineral and volatile soil content assay, and significant wide area traversals. Assessment of the postulated requirements is performed using first order estimates of energy, power, and communications throughput issues. Two potential rover system configurations are considered, a smaller rover envisioned as part of a group of multiple rovers, and a larger single rover envisioned along more traditional planetary surface rover concept lines.

Nucleon and deuteron scattering cross sections from 25 MV/Nucleon to 22.5 GeV/Nucleon

NASA Technical Reports Server (NTRS)

Townsend, L. W.; Wilson, J. W.; Bidasaria, H. B.

1983-01-01

Within the context of a double-folding optical potential approximation to the exact nucleus-nucleus multiple-scattering series, eikonal scattering theory is used to generate tables of nucleon and deuteron total and absorption cross sections at kinetic energies between 25 MeV/nucleon and 22.5 GeV/nucleon for use in cosmic-ray transport and shielding studies. Comparisons of predictions for nucleon-nucleus and deuteron-nucleus absorption and total cross sections with experimental data are also made.

Reducing Fuel Consumption through Semi-Automated Platooning with Class 8 Tractor Trailer Combinations (Poster)

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

Lammert, M.; Gonder, J.

This poster describes the National Renewable Energy Laboratory's evaluation of the fuel savings potential of semi-automated truck platooning. Platooning involves reducing aerodynamic drag by grouping vehicles together and decreasing the distance between them through the use of electronic coupling, which allows multiple vehicles to accelerate or brake simultaneously. The NREL study addressed the need for data on American style line-haul sleeper cabs with modern aerodynamics and over a range of trucking speeds common in the United States.

Evolution of ep fragmentation and multiplicity distributions in the Breit frame

NASA Astrophysics Data System (ADS)

Adloff, C.; Aid, S.; Anderson, M.; Andreev, V.; Andrieu, B.; Arkadov, V.; Arndt, C.; Ayyaz, I.; Babaev, A.; Bähr, J.; Bán, J.; Ban, Y.; Baranov, P.; Barrelet, E.; Barschke, R.; Bartel, W.; Bassler, U.; Beck, H. P.; Beck, M.; Behrend, H.-J.; Belousov, A.; Berger, Ch.; Bernardi, G.; Bertrand-Coremans, G.; Beyer, R.; Biddulph, P.; Bispham, P.; Bizot, J. C.; Borras, K.; Botterweck, F.; Boudry, V.; Bourov, S.; Braemer, A.; Braunschweig, W.; Brisson, V.; Brückner, W.; Bruel, P.; Bruncko, D.; Brune, C.; Buchholz, R.; Büngener, L.; Bürger, J.; Büsser, F. W.; Buniatian, A.; Burke, S.; Burton, M. J.; Buschhorn, G.; Calvet, D.; Campbell, A. J.; Carli, T.; Charlet, M.; Clarke, D.; Clerbaux, B.; Cocks, S.; Contreras, J. G.; Cormack, C.; Coughlan, J. A.; Courau, A.; Cousinou, M.-C.; Cox, B. E.; Cozzika, G.; Cussans, D. G.; Cvach, J.; Dagoret, S.; Dainton, J. B.; Dau, W. D.; Daum, K.; David, M.; Davis, C. L.; de Roeck, A.; de Wolf, E. A.; Delcourt, B.; Dirkmann, M.; Dixon, P.; Dlugosz, W.; Dollfus, C.; Donovan, K. T.; Dowell, J. D.; Dreis, H. B.; Droutskoi, A.; Ebert, J.; Ebert, T. R.; Eckerlin, G.; Efremenko, V.; Egli, S.; Eichler, R.; Eisele, F.; Eisenhandler, E.; Elsen, E.; Erdmann, M.; Fahr, A. B.; Favart, L.; Fedotov, A.; Felst, R.; Feltesse, J.; Ferencei, J.; Ferrarotto, F.; Flamm, K.; Fleischer, M.; Flieser, M.; Flügge, G.; Fomenko, A.; Formánek, J.; Foster, J. M.; Franke, G.; Gabathuler, E.; Gabathuler, K.; Gaede, F.; Garvey, J.; Gayler, J.; Gebauer, M.; Gerhards, R.; Glazov, A.; Goerlich, L.; Gogitidze, N.; Goldberg, M.; Goldner, D.; Golec-Biernat, K.; Gonzalez-Pineiro, B.; Gorelov, I.; Grab, C.; Grässler, H.; Greenshaw, T.; Griffiths, R. K.; Grindhammer, G.; Gruber, A.; Gruber, C.; Hadig, T.; Haidt, D.; Hajduk, L.; Haller, T.; Hampel, M.; Haynes, W. J.; Heinemann, B.; Heinzelmann, G.; Henderson, R. C. W.; Henschel, H.; Herynek, I.; Hess, M. F.; Hewitt, K.; Hiller, K. H.; Hilton, C. D.; Hladký, J.; Höppner, M.; Hoffmann, D.; Holtom, T.; Horisberger, R.; Hudgson, V. L.; Hütte, M.; Ibbotson, M.; İşsever, Ç.; Itterbeck, H.; Jacholkowska, A.; Jacobsson, C.; Jacquet, M.; Jaffre, M.; Janoth, J.; Jansen, D. M.; Jönsson, L.; Johnson, D. P.; Jung, H.; Kalmus, P. I. P.; Kander, M.; Kant, D.; Kathage, U.; Katzy, J.; Kaufmann, H. H.; Kaufmann, O.; Kausch, M.; Kazarian, S.; Kenyon, I. R.; Kermiche, S.; Keuker, C.; Kiesling, C.; Klein, M.; Kleinwort, C.; Knies, G.; Köhler, T.; Köhne, J. H.; Kolanoski, H.; Kolya, S. D.; Korbel, V.; Kostka, P.; Kotelnikov, S. K.; Krämerkämper, T.; Krasny, M. W.; Krehbiel, H.; Krücker, D.; Küpper, A.; Küster, H.; Kuhlen, M.; Kurča, T.; Kurzhöfer, J.; Laforge, B.; Landon, M. P. J.; Lange, W.; Langenegger, U.; Lebedev, A.; Lehner, F.; Lemaitre, V.; Levonian, S.; Lindstroem, M.; Linsel, F.; Lipinski, J.; List, B.; Lobo, G.; Lomas, J. W.; Lopez, G. C.; Lubimov, V.; Lüke, D.; Lytkin, L.; Magnussen, N.; Mahlke-Krüger, H.; Malinovski, E.; Maraček, R.; Marage, P.; Marks, J.; Marshall, R.; Martens, J.; Martin, G.; Martin, R.; Martyn, H.-U.; Martyniak, J.; Mavroidis, T.; Maxfield, S. J.; McMahon, S. J.; Mehta, A.; Meier, K.; Merkel, P.; Metlica, F.; Meyer, A.; Meyer, A.; Meyer, H.; Meyer, J.; Meyer, P.-O.; Migliori, A.; Mikocki, S.; Milstead, D.; Moeck, J.; Moreau, F.; Morris, J. V.; Mroczko, E.; Müller, D.; Walter, T.; Müller, K.; Murín, P.; Nagovizin, V.; Nahnhauer, R.; Naroska, B.; Naumann, Th.; Négri, I.; Newman, P. R.; Newton, D.; Nguyen, H. K.; Nicholls, T. C.; Niebergall, F.; Niebuhr, C.; Niedzballa, Ch.; Niggli, H.; Nowak, G.; Nunnemann, T.; Nyberg-Werther, M.; Oberlack, H.; Olsson, J. E.; Ozerov, D.; Palmen, P.; Panaro, E.; Panitch, A.; Pascaud, C.; Passaggio, S.; Patel, G. D.; Pawletta, H.; Peppel, E.; Perez, E.; Phillips, J. P.; Pieuchot, A.; Pitzl, D.; Pöschl, R.; Pope, G.; Povh, B.; Prell, S.; Rabbertz, K.; Reimer, P.; Rick, H.; Riess, S.; Rizvi, E.; Robmann, P.; Roosen, R.; Rosenbauer, K.; Rostovtsev, A.; Rouse, F.; Royon, C.; Rüter, K.; Rusakov, S.; Rybicki, K.; Sankey, D. P. C.; Schacht, P.; Schiek, S.; Schleif, S.; Schleper, P.; von Schlippe, W.; Schmidt, D.; Schmidt, G.; Schoeffel, L.; Schöning, A.; Schröder, V.; Schuhmann, E.; Schwab, B.; Sefkow, F.; Semenov, A.; Shekelyan, V.; Sheviakov, I.; Shtarkov, L. N.; Siegmon, G.; Siewert, U.; Sirois, Y.; Skillicorn, I. O.; Sloan, T.; Smirnov, P.; Smith, M.; Solochenko, V.; Soloviev, Y.; Specka, A.; Spiekermann, J.; Spielman, S.; Spitzer, H.; Squinabol, F.; Steffen, P.; Steinberg, R.; Steinhart, J.; Stella, B.; Stellberger, A.; Stier, J.; Stiewe, J.; Stößlein, U.; Stolze, K.; Straumann, U.; Struczinski, W.; Sutton, J. P.; Tapprogge, S.; Taševský, M.; Tchernyshov, V.; Tchetchelnitski, S.; Theissen, J.; Thompson, G.; Thompson, P. D.; Tobien, N.; Todenhagen, R.; Truöl, P.; Tsipolitis, G.; Turnau, J.; Tzamariudaki, E.; Uelkes, P.; Usik, A.; Valkár, S.; Valkárová, A.; Vallée, C.; van Esch, P.; van Mechelen, P.; Vandenplas, D.; Vazdik, Y.; Verrecchia, P.; Villet, G.; Wacker, K.; Wagener, A.; Wagener, M.; Wallny, R.; Waugh, B.; Weber, G.; Weber, M.; Wegener, D.; Wegner, A.; Wengler, T.; Werner, M.; West, L. R.; Wiesand, S.; Wilksen, T.; Willard, S.; Winde, M.; Winter, G.-G.; Wittek, C.; Wobisch, M.; Wollatz, H.; Wünsch, E.; ŽáČek, J.; Zarbock, D.; Zhang, Z.; Zhokin, A.; Zini, P.; Zomer, F.; Zsembery, J.; Zurnedden, M.

1997-02-01

Low x deep-inelastic ep scattering data, taken in 1994 at the H1 detector at HERA, are analysed in the Breit frame of reference. The evolution of the peak and width of the current hemisphere fragmentation function is presented as a function of Q and compared with e+e- results at equivalent centre of mass energies. Differences between the average charged multiplicity and the multiplicity of e+e- annihilations at low energies are analysed. Invariant energy spectra are compared with MLLA predictions. Distributions of multiplicity are presented as functions of Bjorken- x and Q2, and KNO scaling is discussed.

Unfolding the fission prompt gamma-ray energy and multiplicity distribution measured by DANCE

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

Chyzh, A; Wu, C Y; Bredeweg, T

2010-10-16

The nearly energy independence of the {gamma}-ray efficiency and multiplicity response for the DANCE array, the unusual characteristic elucidated in our early technical report (LLNL-TR-452298), gives one a unique opportunity to derive the true prompt {gamma}-ray energy and multiplicity distribution in fission from the measurement. This unfolding procedure for the experimental data will be described in details and examples will be given to demonstrate the feasibility of reconstruction of the true distribution.

A potential role for the midbrain in integrating fat-free mass determined energy needs: An H2 (15) O PET study.

PubMed

Weise, Christopher M; Thiyyagura, Pradeep; Reiman, Eric M; Chen, Kewei; Krakoff, Jonathan

2015-06-01

Little is known on how sensing of energy needs is centrally represented, integrated, and translated into the behavioral aspects of energy homeostasis. Fat free mass (FFM) is the major determinant of energy expenditure. We investigated how interindividual variances in FFM relate to neuronal activity in humans. Healthy adults (n = 64, 21F/43M; age 31.3 ± 9.1y; percentage of body fat [PFAT] 25.6 ± 10.7%; BMI 30.4 ± 9) underwent a 36h fast and subsequent H(2) (15) O positron emission tomographic (PET) measurement of regional cerebral blood flow (rCBF). Multiple variable regression analysis revealed significant associations of FFM with rCBF within the midbrain [including parts of the periaqueductal gray (PAG), ventral tegmental area (VTA), thalamic and hypothalamic regions], the bilateral parahippocampal region, left anterior cingulate, left insular cortex, right cerebellum, and distinct regions within the temporal and occipital cortex. In contrast, no significant associations were found for fat mass (FM). We investigated the potential functional-anatomical link between FFM and central regulation of food intake by performing a conjunction analysis of FFM and the perceived hunger feelings. This showed a significant overlap within the midbrain PAG. Mediation analysis demonstrated a significant indirect effect of FFM on hunger with PAG rCBF as mediator. Most regions we found to be associated with FFM form part in ascending homeostatic pathways and cortical circuitries implicated in the regulation of basic bodily functions indicating a potential role of these central networks in the integration of FFM determined energy needs. © 2015 Wiley Periodicals, Inc.

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

Liu, Xiaobing; Zheng, O'Neill; Niu, Fuxin

Most commercial ground source heat pump systems (GSHP) in the United States are in a distributed configuration. These systems circulate water or an anti-freeze solution through multiple heat pump units via a central pumping system, which usually uses variable speed pump(s). Variable speed pumps have potential to significantly reduce pumping energy use; however, the energy savings in reality could be far away from its potential due to improper pumping system design and controls. In this paper, a simplified hydronic pumping system was simulated with the dynamic Modelica models to evaluate three different pumping control strategies. This includes two conventional controlmore » strategies, which are to maintain a constant differential pressure across either the supply and return mains, or at the most hydraulically remote heat pump; and an innovative control strategy, which adjusts system flow rate based on the demand of each heat pump. The simulation results indicate that a significant overflow occurs at part load conditions when the variable speed pump is controlled to main a constant differential pressure across the supply and return mains of the piping system. On the other hand, an underflow occurs at part load conditions when the variable speed pump is controlled to maintain a constant differential pressure across the furthest heat pump. The flow-demand-based control can provide needed flow rate to each heat pump at any given time, and with less pumping energy use than the two conventional controls. Finally, a typical distributed GSHP system was studied to evaluate the energy saving potential of applying the flow-demand-based pumping control strategy. This case study shows that the annual pumping energy consumption can be reduced by 62% using the flow-demand-based control compared with that using the conventional pressure-based control to maintain a constant differential pressure a cross the supply and return mains.« less

Energy storage management system with distributed wireless sensors

DOEpatents

Farmer, Joseph C.; Bandhauer, Todd M.

2015-12-08

An energy storage system having a multiple different types of energy storage and conversion devices. Each device is equipped with one or more sensors and RFID tags to communicate sensor information wirelessly to a central electronic management system, which is used to control the operation of each device. Each device can have multiple RFID tags and sensor types. Several energy storage and conversion devices can be combined.

Wetting-induced formation of controllable monodisperse multiple emulsions in microfluidics.

PubMed

Deng, Nan-Nan; Wang, Wei; Ju, Xiao-Jie; Xie, Rui; Weitz, David A; Chu, Liang-Yin

2013-10-21

Multiple emulsions, which are widely applied in a myriad of fields because of their unique ability to encapsulate and protect active ingredients, are typically produced by sequential drop-formations and drop-encapsulations using shear-induced emulsification. Here we report a qualitatively novel method of creating highly controlled multiple emulsions from lower-order emulsions. By carefully controlling the interfacial energies, we adjust the spreading coefficients between different phases to cause drops of one fluid to completely engulf other drops of immiscible fluids; as a result multiple emulsions are directly formed by simply putting preformed lower-order emulsion drops together. Our approach has highly controllable flexibility. We demonstrate this in preparation of both double and triple emulsions with a controlled number of inner drops and precisely adjusted shell thicknesses including ultra-thin shells. Moreover, this controllable drop-engulfing-drop approach has a high potential in further investigations and applications of microfluidics. Importantly, this innovative approach opens a window to exploit new phenomena occurring in fluids at the microscale level, which is of great significance for developing novel microfluidics.

Multiple quantum coherence spectroscopy.

PubMed

Mathew, Nathan A; Yurs, Lena A; Block, Stephen B; Pakoulev, Andrei V; Kornau, Kathryn M; Wright, John C

2009-08-20

Multiple quantum coherences provide a powerful approach for studies of complex systems because increasing the number of quantum states in a quantum mechanical superposition state increases the selectivity of a spectroscopic measurement. We show that frequency domain multiple quantum coherence multidimensional spectroscopy can create these superposition states using different frequency excitation pulses. The superposition state is created using two excitation frequencies to excite the symmetric and asymmetric stretch modes in a rhodium dicarbonyl chelate and the dynamic Stark effect to climb the vibrational ladders involving different overtone and combination band states. A monochromator resolves the free induction decay of different coherences comprising the superposition state. The three spectral dimensions provide the selectivity required to observe 19 different spectral features associated with fully coherent nonlinear processes involving up to 11 interactions with the excitation fields. The different features act as spectroscopic probes of the diagonal and off-diagonal parts of the molecular potential energy hypersurface. This approach can be considered as a coherent pump-probe spectroscopy where the pump is a series of excitation pulses that prepares a multiple quantum coherence and the probe is another series of pulses that creates the output coherence.

Materials Based on Antimony and Bismuth for Sodium Storage: A Review.

PubMed

Li, Xinyan; Ni, Jiangfeng; Savilov, S V; Li, Liang

2018-06-06

Sodium-ion batteries (SIBs) that efficiently store electricity into chemical energy have been extensively pursued because of their great potential for low-cost and large-scale stationary application such as smart grid and renewable energy. Successful deployment of SIBs requires efficient anode materials that could store Na+ ions via a reversible way at reasonable rates. Materials based on antimony and bismuth are capable of storing a high-concentration of Na+ ions via a reversible alloying reaction at suitable redox potentials, and thus havedrawn substantial attention. However, these electrode materials are facing significant technical challenges, such as poor conductivity, multiple phase transformation, and severe volume swelling and shrinking, which make efficient materials design a necessity. In this review, we will give a latest overview of research progress in the design and application of electrode materials based on antimony and bismuth, and offer some value insights into their future development in sodium storage. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Charge and energy transports via poly-phenylacetylene based dendrimers

NASA Astrophysics Data System (ADS)

Shin, Yongwoo; Li, Minghai; Lin, Xi

2010-03-01

Poly-Phenylacetylene (PPA) is widely used in photoconductivity, photoluminescence, and light harvesting applications. In this work, we investigate the charge and exciton transport energetics and mechanisms in the PPA-based dendrimers using our recently developed adapted Su-Schrieffer-Heeger (SSH) model Hamiltonians and ab initio Hartree-Fock (HF) calculations. We found both doping and photo-excitation lead to the formation of optical phonon dressed pi electron states, namely the self-localized polarons, in the energy gap. Independent from their origins, these polarons can be self-trapped at multiple lattice locations along the PPA chain, and migrate from one to the next with an activation barrier of ˜0.006 eV, slightly higher than the corresponding barrier found in trans-polyacetylene. The PPA-based dendrimers can be constructed via the meta-positions of phenyl rings. In this case, we found the dendrimer junctions form attractive potential wells for both polarons and excitons, and the width and height of these junction potential wells can be controlled by the geometry of the dendrimers.

Global models for synthetic fuels planning

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

Lamontagne, J.

1983-10-01

This study was performed to identify the set of existing global models with the best potential for use in the US Synthetic Fuels Corporation's strategic planning process, and to recommend the most appropriate model. The study was limited to global models with representations that encompass time horizons beyond the year 2000, multiple fuel forms, and significant regional detail. Potential accessibility to the Synthetic Fuels Corporation and adequate documentation were also required. Four existing models (LORENDAS, WIM, IIASA, and IEA/ORAU) were judged to be the best candidates for the SFC's use at this time; none of the models appears to bemore » ideal for the SFC's purposes. On the basis of currently available information, the most promising short-term option open to the SFC is the use of LORENDAS, with careful attention to definition of alternative energy demand scenarios. Longer-term options which deserve further study are coupling LORENDAS with an explicit model of energy demand, and modification of the IEA/ORAU model to include finer time-period definition and additional technological detail.« less

Energy harvesting using TEG and PV cell for low power application

NASA Astrophysics Data System (ADS)

Tawil, Siti Nooraya Mohd; Zainal, Mohd Zulkarnain

2018-02-01

A thermoelectric generator (TEG) module and photovoltaic cell (PV) were utilized to harvest energy from temperature gradients of heat sources from ambient heat and light of sun. The output of TEG and PV were connected to a power management circuit consist of step-up dc-dc converter in order to increase the output voltage to supply a low power application such as wireless communication module and the photovoltaic cell for charging an energy storage element in order to switch on a fan for cooling system of the thermoelectric generator. A switch is used as a selector to choose the input of source either from photovoltaic cell or thermoelectric generator to switch on DC-DC step-up converter. In order to turn on the DC-DC step-up converter, the input must be greater than 3V. The energy harvesting was designed so that it can be used continuously and portable anywhere. Multiple sources used in this energy harvesting system is to ensure the system can work in whatever condition either in good weather or not good condition of weather. This energy harvesting system has the potential to be used in military operation and environment that require sustainability of energy resources.

Equilibrium statistical-thermal models in high-energy physics

NASA Astrophysics Data System (ADS)

Tawfik, Abdel Nasser

2014-05-01

We review some recent highlights from the applications of statistical-thermal models to different experimental measurements and lattice QCD thermodynamics that have been made during the last decade. We start with a short review of the historical milestones on the path of constructing statistical-thermal models for heavy-ion physics. We discovered that Heinz Koppe formulated in 1948, an almost complete recipe for the statistical-thermal models. In 1950, Enrico Fermi generalized this statistical approach, in which he started with a general cross-section formula and inserted into it, the simplifying assumptions about the matrix element of the interaction process that likely reflects many features of the high-energy reactions dominated by density in the phase space of final states. In 1964, Hagedorn systematically analyzed the high-energy phenomena using all tools of statistical physics and introduced the concept of limiting temperature based on the statistical bootstrap model. It turns to be quite often that many-particle systems can be studied with the help of statistical-thermal methods. The analysis of yield multiplicities in high-energy collisions gives an overwhelming evidence for the chemical equilibrium in the final state. The strange particles might be an exception, as they are suppressed at lower beam energies. However, their relative yields fulfill statistical equilibrium, as well. We review the equilibrium statistical-thermal models for particle production, fluctuations and collective flow in heavy-ion experiments. We also review their reproduction of the lattice QCD thermodynamics at vanishing and finite chemical potential. During the last decade, five conditions have been suggested to describe the universal behavior of the chemical freeze-out parameters. The higher order moments of multiplicity have been discussed. They offer deep insights about particle production and to critical fluctuations. Therefore, we use them to describe the freeze-out parameters and suggest the location of the QCD critical endpoint. Various extensions have been proposed in order to take into consideration the possible deviations of the ideal hadron gas. We highlight various types of interactions, dissipative properties and location-dependences (spatial rapidity). Furthermore, we review three models combining hadronic with partonic phases; quasi-particle model, linear sigma model with Polyakov potentials and compressible bag model.

Towards energy aware optical networks and interconnects

NASA Astrophysics Data System (ADS)

Glesk, Ivan; Osadola, Tolulope; Idris, Siti

2013-10-01

In a today's world, information technology has been identified as one of the major factors driving economic prosperity. Datacenters businesses have been growing significantly in the past few years. The equipments in these datacenters need to be efficiently connected to each other and also to the outside world in order to enable effective exchange of information. This is why there is need for highly scalable, energy savvy and reliable network connectivity infrastructure that is capable of accommodating the large volume of data being exchanged at any time within the datacenter network and the outside network in general. These devices that can ensure such effective connectivity currently require large amount of energy in order to meet up with these increasing demands. In this paper, an overview of works being done towards realizing energy aware optical networks and interconnects for datacenters is presented. Also an OCDMA approach is discussed as potential multiple access technique for future optical network interconnections. We also presented some challenges that might inhibit effective implementation of the OCDMA multiplexing scheme.

High-efficiency piezoelectric micro harvester for collecting low-frequency mechanical energy.

PubMed

Li, Xin; Song, Jinhui; Feng, Shuanglong; Xie, Xiong; Li, Zhenhu; Wang, Liang; Pu, Yayun; Soh, Ai Kah; Shen, Jun; Lu, Wenqiang; Liu, Shuangyi

2016-12-02

A single-layer zinc oxide (ZnO) nanorod array-based micro energy harvester was designed and integrated with a piezoelectric metacapacitor. The device presents outstanding low-frequency (1-10 Hz) mechanical energy harvesting capabilities. When compared with conventional pristine ZnO nanostructured piezoelectric harvesters or generators, both open-circuit potential and short-circuit current are significantly enhanced (up to 3.1 V and 124 nA cm -2 ) for a single mechanical knock (∼34 kPa). Higher electromechanical conversion efficiency (1.3 pC/Pa) is also observed. The results indicate that the integration of the piezoelectric metacapacitor is a crucial factor for improving the low-frequency energy harvesting performance. A double piezoelectric-driven mechanism is proposed to explain current higher output power, in which the metacapacitor plays the multiple roles of charge pumping, storing and transferring. An as-fabricated prototype device for lighting an LED demonstrates high power transference capability, with over 95% transference efficiency to the external load.

Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic Cells.

PubMed

Yosipof, Abraham; Nahum, Oren E; Anderson, Assaf Y; Barad, Hannah-Noa; Zaban, Arie; Senderowitz, Hanoch

2015-06-01

Growth in energy demands, coupled with the need for clean energy, are likely to make solar cells an important part of future energy resources. In particular, cells entirely made of metal oxides (MOs) have the potential to provide clean and affordable energy if their power conversion efficiencies are improved. Such improvements require the development of new MOs which could benefit from combining combinatorial material sciences for producing solar cells libraries with data mining tools to direct synthesis efforts. In this work we developed a data mining workflow and applied it to the analysis of two recently reported solar cell libraries based on Titanium and Copper oxides. Our results demonstrate that QSAR models with good prediction statistics for multiple solar cells properties could be developed and that these models highlight important factors affecting these properties in accord with experimental findings. The resulting models are therefore suitable for designing better solar cells. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Calculation of protein-ligand binding affinities.

PubMed

Gilson, Michael K; Zhou, Huan-Xiang

2007-01-01

Accurate methods of computing the affinity of a small molecule with a protein are needed to speed the discovery of new medications and biological probes. This paper reviews physics-based models of binding, beginning with a summary of the changes in potential energy, solvation energy, and configurational entropy that influence affinity, and a theoretical overview to frame the discussion of specific computational approaches. Important advances are reported in modeling protein-ligand energetics, such as the incorporation of electronic polarization and the use of quantum mechanical methods. Recent calculations suggest that changes in configurational entropy strongly oppose binding and must be included if accurate affinities are to be obtained. The linear interaction energy (LIE) and molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) methods are analyzed, as are free energy pathway methods, which show promise and may be ready for more extensive testing. Ultimately, major improvements in modeling accuracy will likely require advances on multiple fronts, as well as continued validation against experiment.

Renewable Energy Feasibility Study Leading to Development of the Native Spirit Solar Energy Facility

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

Carolyn Stewart; Tracey LeBeau

2008-01-31

DOE-funded renewable energy feasibility study conducted by Red Mountain Tribal Energy on behalf of the Southwest Tribal Energy Consortium (SWTEC). During the course of the study, SWTEC members considered multiple options for the organization structure, selected a proposed organization structure, and drafted a Memorandum of Understanding for the SWTEC organization. High-level resource assessments for SWTEC members were completed; surveys were developed and completed to determine each member’s interest in multiple participation options, including on-reservation projects. With the survey inputs in mind, multiple energy project options were identified and evaluated on a high-level basis. That process led to a narrowing ofmore » the field of technology options to solar generation, specifically, utility-scale Concentrating Solar-Powered Generation projects, with a specific, tentative project location identified at the Fort Mojave Indian Reservation -- the Native Spirit Solar Energy Facility.« less

Structural principles for computational and de novo design of 4Fe-4S metalloproteins

PubMed Central

Nanda, Vikas; Senn, Stefan; Pike, Douglas H.; Rodriguez-Granillo, Agustina; Hansen, Will; Khare, Sagar D.; Noy, Dror

2017-01-01

Iron-sulfur centers in metalloproteins can access multiple oxidation states over a broad range of potentials, allowing them to participate in a variety of electron transfer reactions and serving as catalysts for high-energy redox processes. The nitrogenase FeMoCO cluster converts di-nitrogen to ammonia in an eight-electron transfer step. The 2(Fe4S4) containing bacterial ferredoxin is an evolutionarily ancient metalloprotein fold and is thought to be a primordial progenitor of extant oxidoreductases. Controlling chemical transformations mediated by iron-sulfur centers such as nitrogen fixation, hydrogen production as well as electron transfer reactions involved in photosynthesis are of tremendous importance for sustainable chemistry and energy production initiatives. As such, there is significant interest in the design of iron-sulfur proteins as minimal models to gain fundamental understanding of complex natural systems and as lead-molecules for industrial and energy applications. Herein, we discuss salient structural characteristics of natural iron-sulfur proteins and how they guide principles for design. Model structures of past designs are analyzed in the context of these principles and potential directions for enhanced designs are presented, and new areas of iron-sulfur protein design are proposed. PMID:26449207

Measurement of higher cumulants of net-charge multiplicity distributions in Au +Au collisions at √{sN N}=7.7 -200 GeV

NASA Astrophysics Data System (ADS)

Adare, A.; Afanasiev, S.; Aidala, C.; Ajitanand, N. N.; Akiba, Y.; Akimoto, R.; Al-Bataineh, H.; Alexander, J.; Al-Ta'Ani, H.; Angerami, A.; Aoki, K.; Apadula, N.; Aramaki, Y.; Asano, H.; Aschenauer, E. C.; Atomssa, E. T.; Averbeck, R.; Awes, T. C.; Azmoun, B.; Babintsev, V.; Bai, M.; Baksay, G.; Baksay, L.; Bannier, B.; Barish, K. N.; Bassalleck, B.; Basye, A. T.; Bathe, S.; Baublis, V.; Baumann, C.; Baumgart, S.; Bazilevsky, A.; Belikov, S.; Belmont, R.; Bennett, R.; Berdnikov, A.; Berdnikov, Y.; Bickley, A. A.; Black, D.; Blau, D. S.; Bok, J. S.; Boyle, K.; Brooks, M. L.; Bryslawskyj, J.; Buesching, H.; Bumazhnov, V.; Bunce, G.; Butsyk, S.; Camacho, C. M.; Campbell, S.; Castera, P.; Chen, C.-H.; Chi, C. Y.; Chiu, M.; Choi, I. J.; Choi, J. B.; Choi, S.; Choudhury, R. K.; Christiansen, P.; Chujo, T.; Chung, P.; Chvala, O.; Cianciolo, V.; Citron, Z.; Cole, B. A.; Connors, M.; Constantin, P.; Cronin, N.; Crossette, N.; Csanád, M.; Csörgő, T.; Dahms, T.; Dairaku, S.; Danchev, I.; Das, K.; Datta, A.; Daugherity, M. S.; David, G.; Dehmelt, K.; Denisov, A.; Deshpande, A.; Desmond, E. J.; Dharmawardane, K. V.; Dietzsch, O.; Ding, L.; Dion, A.; Do, J. H.; Donadelli, M.; D'Orazio, L.; Drapier, O.; Drees, A.; Drees, K. A.; Durham, J. M.; Durum, A.; Dutta, D.; Edwards, S.; Efremenko, Y. V.; Ellinghaus, F.; Engelmore, T.; Enokizono, A.; En'yo, H.; Esumi, S.; Eyser, K. O.; Fadem, B.; Fields, D. E.; Finger, M.; Finger, M.; Fleuret, F.; Fokin, S. L.; Fraenkel, Z.; Frantz, J. E.; Franz, A.; Frawley, A. D.; Fujiwara, K.; Fukao, Y.; Fusayasu, T.; Gainey, K.; Gal, C.; Garg, P.; Garishvili, A.; Garishvili, I.; Giordano, F.; Glenn, A.; Gong, H.; Gong, X.; Gonin, M.; Goto, Y.; Granier de Cassagnac, R.; Grau, N.; Greene, S. V.; Grosse Perdekamp, M.; Gu, Y.; Gunji, T.; Guo, L.; Gustafsson, H.-Å.; Hachiya, T.; Haggerty, J. S.; Hahn, K. I.; Hamagaki, H.; Hamblen, J.; Han, R.; Hanks, J.; Hartouni, E. P.; Hashimoto, K.; Haslum, E.; Hayano, R.; Hayashi, S.; He, X.; Heffner, M.; Hemmick, T. K.; Hester, T.; Hill, J. C.; Hohlmann, M.; Hollis, R. S.; Holzmann, W.; Homma, K.; Hong, B.; Horaguchi, T.; Hori, Y.; Hornback, D.; Huang, S.; Ichihara, T.; Ichimiya, R.; Ide, J.; Iinuma, H.; Ikeda, Y.; Imai, K.; Imazu, Y.; Imrek, J.; Inaba, M.; Iordanova, A.; Isenhower, D.; Ishihara, M.; Isinhue, A.; Isobe, T.; Issah, M.; Isupov, A.; Ivanishchev, D.; Jacak, B. V.; Javani, M.; Jia, J.; Jiang, X.; Jin, J.; Johnson, B. M.; Joo, K. S.; Jouan, D.; Jumper, D. S.; Kajihara, F.; Kametani, S.; Kamihara, N.; Kamin, J.; Kaneti, S.; Kang, B. H.; Kang, J. H.; Kang, J. S.; Kapustinsky, J.; Karatsu, K.; Kasai, M.; Kawall, D.; Kawashima, M.; Kazantsev, A. V.; Kempel, T.; Key, J. A.; Khandai, P. K.; Khanzadeev, A.; Kijima, K. M.; Kim, B. I.; Kim, C.; Kim, D. H.; Kim, D. J.; Kim, E.; Kim, E.-J.; Kim, H. J.; Kim, K.-B.; Kim, S. H.; Kim, Y.-J.; Kim, Y. K.; Kinney, E.; Kiriluk, K.; Kiss, Á.; Kistenev, E.; Klatsky, J.; Kleinjan, D.; Kline, P.; Kochenda, L.; Komatsu, Y.; Komkov, B.; Konno, M.; Koster, J.; Kotchetkov, D.; Kotov, D.; Kozlov, A.; Král, A.; Kravitz, A.; Krizek, F.; Kunde, G. J.; Kurita, K.; Kurosawa, M.; Kwon, Y.; Kyle, G. S.; Lacey, R.; Lai, Y. S.; Lajoie, J. G.; Lebedev, A.; Lee, B.; Lee, D. M.; Lee, J.; Lee, K.; Lee, K. B.; Lee, K. S.; Lee, S. H.; Lee, S. R.; Leitch, M. J.; Leite, M. A. L.; Leitgab, M.; Leitner, E.; Lenzi, B.; Lewis, B.; Li, X.; Liebing, P.; Lim, S. H.; Linden Levy, L. A.; Liška, T.; Litvinenko, A.; Liu, H.; Liu, M. X.; Love, B.; Luechtenborg, R.; Lynch, D.; Maguire, C. F.; Makdisi, Y. I.; Makek, M.; Malakhov, A.; Malik, M. D.; Manion, A.; Manko, V. I.; Mannel, E.; Mao, Y.; Maruyama, T.; Masui, H.; Masumoto, S.; Matathias, F.; McCumber, M.; McGaughey, P. L.; McGlinchey, D.; McKinney, C.; Means, N.; Meles, A.; Mendoza, M.; Meredith, B.; Miake, Y.; Mibe, T.; Midori, J.; Mignerey, A. C.; Mikeš, P.; Miki, K.; Milov, A.; Mishra, D. K.; Mishra, M.; Mitchell, J. T.; Miyachi, Y.; Miyasaka, S.; Mohanty, A. K.; Mohapatra, S.; Moon, H. J.; Morino, Y.; Morreale, A.; Morrison, D. P.; Moskowitz, M.; Motschwiller, S.; Moukhanova, T. V.; Murakami, T.; Murata, J.; Mwai, A.; Nagae, T.; Nagamiya, S.; Nagle, J. L.; Naglis, M.; Nagy, M. I.; Nakagawa, I.; Nakamiya, Y.; Nakamura, K. R.; Nakamura, T.; Nakano, K.; Nattrass, C.; Nederlof, A.; Netrakanti, P. K.; Newby, J.; Nguyen, M.; Nihashi, M.; Niida, T.; Nouicer, R.; Novitzky, N.; Nukariya, A.; Nyanin, A. S.; Obayashi, H.; O'Brien, E.; Oda, S. X.; Ogilvie, C. A.; Oka, M.; Okada, K.; Onuki, Y.; Oskarsson, A.; Ouchida, M.; Ozawa, K.; Pak, R.; Pantuev, V.; Papavassiliou, V.; Park, B. H.; Park, I. H.; Park, J.; Park, S.; Park, S. K.; Park, W. J.; Pate, S. F.; Patel, L.; Pei, H.; Peng, J.-C.; Pereira, H.; Perepelitsa, D. V.; Peresedov, V.; Peressounko, D. Yu.; Petti, R.; Pinkenburg, C.; Pisani, R. P.; Proissl, M.; Purschke, M. L.; Purwar, A. K.; Qu, H.; Rak, J.; Rakotozafindrabe, A.; Ravinovich, I.; Read, K. F.; Reygers, K.; Reynolds, D.; Riabov, V.; Riabov, Y.; Richardson, E.; Riveli, N.; Roach, D.; Roche, G.; Rolnick, S. D.; Rosati, M.; Rosen, C. A.; Rosendahl, S. S. E.; Rosnet, P.; Rukoyatkin, P.; Ružička, P.; Ryu, M. S.; Sahlmueller, B.; Saito, N.; Sakaguchi, T.; Sakashita, K.; Sako, H.; Samsonov, V.; Sano, M.; Sano, S.; Sarsour, M.; Sato, S.; Sato, T.; Sawada, S.; Sedgwick, K.; Seele, J.; Seidl, R.; Semenov, A. Yu.; Sen, A.; Seto, R.; Sett, P.; Sharma, D.; Shein, I.; Shibata, T.-A.; Shigaki, K.; Shimomura, M.; Shoji, K.; Shukla, P.; Sickles, A.; Silva, C. L.; Silvermyr, D.; Silvestre, C.; Sim, K. S.; Singh, B. K.; Singh, C. P.; Singh, V.; Skolnik, M.; Slunečka, M.; Solano, S.; Soltz, R. A.; Sondheim, W. E.; Sorensen, S. P.; Sourikova, I. V.; Sparks, N. A.; Stankus, P. W.; Steinberg, P.; Stenlund, E.; Stepanov, M.; Ster, A.; Stoll, S. P.; Sugitate, T.; Sukhanov, A.; Sun, J.; Sziklai, J.; Takagui, E. M.; Takahara, A.; Taketani, A.; Tanabe, R.; Tanaka, Y.; Taneja, S.; Tanida, K.; Tannenbaum, M. J.; Tarafdar, S.; Taranenko, A.; Tarján, P.; Tennant, E.; Themann, H.; Thomas, T. L.; Todoroki, T.; Togawa, M.; Toia, A.; Tomášek, L.; Tomášek, M.; Torii, H.; Towell, R. S.; Tserruya, I.; Tsuchimoto, Y.; Tsuji, T.; Vale, C.; Valle, H.; van Hecke, H. W.; Vargyas, M.; Vazquez-Zambrano, E.; Veicht, A.; Velkovska, J.; Vértesi, R.; Vinogradov, A. A.; Virius, M.; Voas, B.; Vossen, A.; Vrba, V.; Vznuzdaev, E.; Wang, X. R.; Watanabe, D.; Watanabe, K.; Watanabe, Y.; Watanabe, Y. S.; Wei, F.; Wei, R.; Wessels, J.; Whitaker, S.; White, S. N.; Winter, D.; Wolin, S.; Wood, J. P.; Woody, C. L.; Wright, R. M.; Wysocki, M.; Xia, B.; Xie, W.; Yamaguchi, Y. L.; Yamaura, K.; Yang, R.; Yanovich, A.; Ying, J.; Yokkaichi, S.; You, Z.; Young, G. R.; Younus, I.; Yushmanov, I. E.; Zajc, W. A.; Zelenski, A.; Zhang, C.; Zhou, S.; Zolin, L.; Phenix Collaboration

2016-01-01

We report the measurement of cumulants (Cn,n =1 ,...,4 ) of the net-charge distributions measured within pseudorapidity (|η |<0.35 ) in Au +Au collisions at √{sNN}=7.7 -200 GeV with the PHENIX experiment at the Relativistic Heavy Ion Collider. The ratios of cumulants (e.g., C1/C2 , C3/C1 ) of the net-charge distributions, which can be related to volume independent susceptibility ratios, are studied as a function of centrality and energy. These quantities are important to understand the quantum-chromodynamics phase diagram and possible existence of a critical end point. The measured values are very well described by expectation from negative binomial distributions. We do not observe any nonmonotonic behavior in the ratios of the cumulants as a function of collision energy. The measured values of C1/C2 and C3/C1 can be directly compared to lattice quantum-chromodynamics calculations and thus allow extraction of both the chemical freeze-out temperature and the baryon chemical potential at each center-of-mass energy. The extracted baryon chemical potentials are in excellent agreement with a thermal-statistical analysis model.

A New Framework For The Evolution of Terrestrial Planets: Bi-stability, Stochastic Effects, and the Non-Uniqueness of Tectonic States

NASA Astrophysics Data System (ADS)

Weller, M. B.; Lenardic, A.

2017-12-01

Of all the Solar System bodies, the Earth is the only one for which significant observation and constraints are accessible such that they can be used to discriminate between competing models of Earth's tectonic evolution. Therefore, it is a natural tendency to use these observations to inform more general models of planetary evolution. Yet, our understating of Earth's evolution is far from complete. Geodynamic and geochemical evidence suggests that plate tectonics may not have operated on the early Earth, with both the timing of its onset and the length of its activity far from certain. In recent years, the potential of tectonic bi-stability (multiple stable, energetically allowed solutions) has been shown to be dynamically viable, both from analytical analysis and through numeric experiments in two and three dimensions. The indication is that multiple tectonic modes may operate on a single planetary body at different times within its temporal evolution. Further, there exists the potential that feedback mechanisms between the internal dynamics and surface processes (e.g., surface temperature changes driven by long term climate evolution), acting at different thermal evolution times, can cause terrestrial worlds to alternate between multiple tectonic states over giga-year timescales. Implied here is that terrestrial planets have the potential to migrate through tectonic regimes at similar `thermal evolutionary times' - points were planets have a similar bulk mantle temperature and energies -, but at very different `temporal times' - time since planetary formation. It can then be shown that identical planets at similar stages of their evolution may exhibit different tectonic regimes due to random fluctuations. A new framework of planetary evolution that moves toward probabilistic arguments based on general physical principals, as opposed to particular rheologies, and incorporates the potential of tectonic regime transitions and multiple tectonics states being viable at equivalent physical and chemical conditions, will be discussed.

Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

NASA Astrophysics Data System (ADS)

Lutz, Jesse J.; Duan, Xiaofeng F.; Burggraf, Larry W.

2018-03-01

Valence excitation spectra are computed for deep-center silicon-vacancy defects in 3C, 4H, and 6H silicon carbide (SiC), and comparisons are made with literature photoluminescence measurements. Optimizations of nuclear geometries surrounding the defect centers are performed within a Gaussian basis-set framework using many-body perturbation theory or density functional theory (DFT) methods, with computational expenses minimized by a QM/MM technique called SIMOMM. Vertical excitation energies are subsequently obtained by applying excitation-energy, electron-attached, and ionized equation-of-motion coupled-cluster (EOMCC) methods, where appropriate, as well as time-dependent (TD) DFT, to small models including only a few atoms adjacent to the defect center. We consider the relative quality of various EOMCC and TD-DFT methods for (i) energy-ordering potential ground states differing incrementally in charge and multiplicity, (ii) accurately reproducing experimentally measured photoluminescence peaks, and (iii) energy-ordering defects of different types occurring within a given polytype. The extensibility of this approach to transition-metal defects is also tested by applying it to silicon-substituted chromium defects in SiC and comparing with measurements. It is demonstrated that, when used in conjunction with SIMOMM-optimized geometries, EOMCC-based methods can provide a reliable prediction of the ground-state charge and multiplicity, while also giving a quantitative description of the photoluminescence spectra, accurate to within 0.1 eV of measurement for all cases considered.

Charged particle multiplicities in pp interactions at sqrt {s} = 0.9 , 2.36, and 7 TeV

NASA Astrophysics Data System (ADS)

Khachatryan, V.; Sirunyan, A. M.; Tumasyan, A.; Adam, W.; Bergauer, T.; Dragicevic, M.; Erö, J.; Fabjan, C.; Friedl, M.; Frühwirth, R.; Hammer, V. M.; Hammer, J.; Hänsel, S.; Hartl, C.; Hoch, M.; Hörmann, N.; Hrubec, J.; Jeitler, M.; Kasieczka, G.; Kiesenhofer, W.; Krammer, M.; Liko, D.; Mikulec, I.; Pernicka, M.; Rohringer, H.; Schöfbeck, R.; Strauss, J.; Taurok, A.; Teischinger, F.; Waltenberger, W.; Walzel, G.; Widl, E.; Wulz, C.-E.; Mossolov, V.; Shumeiko, N.; Suarez Gonzalez, J.; Benucci, L.; Ceard, L.; Cerny, K.; De Wolf, E. A.; Janssen, X.; Maes, T.; Mucibello, L.; Ochesanu, S.; Roland, B.; Rougny, R.; Selvaggi, M.; Van Haevermaet, H.; Van Mechelen, P.; Van Remortel, N.; Adler, V.; Beauceron, S.; Blekman, F.; Blyweert, S.; D'Hondt, J.; Devroede, O.; Kalogeropoulos, A.; Maes, J.; Maes, M.; Tavernier, S.; Van Doninck, W.; Van Mulders, P.; Van Onsem, G. P.; Villella, I.; Charaf, O.; Clerbaux, B.; De Lentdecker, G.; Dero, V.; Gay, A. P. R.; Hammad, G. H.; Hreus, T.; Marage, P. E.; Thomas, L.; Vander Velde, C.; Vanlaer, P.; Wickens, J.; Costantini, S.; Grunewald, M.; Klein, B.; Marinov, A.; Ryckbosch, D.; Thyssen, F.; Tytgat, M.; Vanelderen, L.; Verwilligen, P.; Walsh, S.; Zaganidis, N.; Basegmez, S.; Bruno, G.; Caudron, J.; De Favereau De Jeneret, J.; Delaere, C.; Demin, P.; Favart, D.; Giammanco, A.; Grégoire, G.; Hollar, J.; Lemaitre, V.; Liao, J.; Militaru, O.; Ovyn, S.; Pagano, D.; Pin, A.; Piotrzkowski, K.; Quertenmont, L.; Schul, N.; Beliy, N.; Caebergs, T.; Daubie, E.; Alves, G. A.; De Jesus Damiao, D.; Pol, M. E.; Souza, M. H. G.; Carvalho, W.; Da Costa, E. M.; De Oliveira Martins, C.; De Souza, S. Fonseca; Mundim, L.; Nogima, H.; Oguri, V.; Da Silva, W. L. Prado; Santoro, A.; Silva Do Amaral, S. M.; Sznajder, A.; Torres Da Silva De Araujo, F.; Dias, F. A.; Dias, M. A. F.; Fernandez Perez Tomei, T. R.; Gregores, E. M.; Marinho, F.; Novaes, S. F.; Padula, S. S.; Darmenov, N.; Dimitrov, L.; Genchev, V.; Iaydjiev, P.; Piperov, S.; Rodozov, M.; Stoykova, S.; Sultanov, G.; Tcholakov, V.; Trayanov, R.; Vankov, I.; Dyulendarova, M.; Hadjiiska, R.; Kozhuharov, V.; Litov, L.; Marinova, E.; Mateev, M.; Pavlov, B.; Petkov, P.; Bian, J. G.; Chen, G. M.; Chen, H. S.; Jiang, C. H.; Liang, D.; Liang, S.; Wang, J.; Wang, J.; Wang, X.; Wang, Z.; Yang, M.; Zang, J.; Zhang, Z.; Ban, Y.; Guo, S.; Li, W.; Mao, Y.; Qian, S. J.; Teng, H.; Zhu, B.; Cabrera, A.; Gomez Moreno, B.; Ocampo Rios, A. A.; Osorio Oliveros, A. F.; Sanabria, J. C.; Godinovic, N.; Lelas, D.; Lelas, K.; Plestina, R.; Polic, D.; Puljak, I.; Antunovic, Z.; Dzelalija, M.; Brigljevic, V.; Duric, S.; Kadija, K.; Morovic, S.; Attikis, A.; Fereos, R.; Galanti, M.; Mousa, J.; Nicolaou, C.; Ptochos, F.; Razis, P. A.; Rykaczewski, H.; Assran, Y.; Mahmoud, M. A.; Hektor, A.; Kadastik, M.; Kannike, K.; Müntel, M.; Raidal, M.; Rebane, L.; Azzolini, V.; Eerola, P.; Czellar, S.; Härkönen, J.; Heikkinen, A.; Karimäki, V.; Kinnunen, R.; Klem, J.; Kortelainen, M. J.; Lampén, T.; Lassila-Perini, K.; Lehti, S.; Lindén, T.; Luukka, P.; Mäenpää, T.; Tuominen, E.; Tuominiemi, J.; Tuovinen, E.; Ungaro, D.; Wendland, L.; Banzuzi, K.; Korpela, A.; Tuuva, T.; Sillou, D.; Besancon, M.; Dejardin, M.; Denegri, D.; Fabbro, B.; Faure, J. L.; Ferri, F.; Ganjour, S.; Gentit, F. X.; Givernaud, A.; Gras, P.; de Monchenault, G. Hamel; Jarry, P.; Locci, E.; Malcles, J.; Marionneau, M.; Millischer, L.; Rander, J.; Rosowsky, A.; Shreyber, I.; Titov, M.; Verrecchia, P.; Baffioni, S.; Beaudette, F.; Bianchini, L.; Bluj, M.; Broutin, C.; Busson, P.; Charlot, C.; Dobrzynski, L.; de Cassagnac, R. Granier; Haguenauer, M.; Miné, P.; Mironov, C.; Ochando, C.; Paganini, P.; Sabes, S. Porteboeuf, D.; Salerno, R.; Sirois, Y.; Thiebaux, C.; Wyslouch, B.; Zabi, A.; Agram, J.-L.; Andrea, J.; Besson, A.; Bloch, D.; Bodin, D.; Brom, J.-M.; Cardaci, M.; Chabert, E. C.; Collard, C.; Conte, E.; Drouhin, F.; Ferro, C.; Fontaine, J.-C.; Gelé, D.; Goerlach, U.; Greder, S.; Juillot, P.; Karim, M.; Le Bihan, A.-C.; Mikami, Y.; Van Hove, P.; Fassi, F.; Mercier, D.; Baty, C.; Beaupere, N.; Bedjidian, M.; Bondu, O.; Boudoul, G.; Boumediene, D.; Brun, H.; Chanon, N.; Chierici, R.; Contardo, D.; Depasse, P.; El Mamouni, H.; Falkiewicz, A.; Fay, J.; Gascon, S.; Ille, B.; Kurca, T.; Le Grand, T.; Lethuillier, M.; Mirabito, L.; Perries, S.; Sordini, V.; Tosi, S.; Tschudi, Y.; Verdier, P.; Xiao, H.; Roinishvili, V.; Anagnostou, G.; Edelhoff, M.; Feld, L.; Heracleous, N.; Hindrichs, O.; Jussen, R.; Klein, K.; Merz, J.; Mohr, N.; Ostapchuk, A.; Perieanu, A.; Raupach, F.; Sammet, J.; Schael, S.; Sprenger, D.; Weber, H.; Weber, M.; Wittmer, B.; Ata, M.; Bender, W.; Erdmann, M.; Frangenheim, J.; Hebbeker, T.; Hinzmann, A.; Hoepfner, K.; Hof, C.; Klimkovich, T.; Klingebiel, D.; Kreuzer, P.; Lanske, D.; Magass, C.; Masetti, G.; Merschmeyer, M.; Meyer, A.; Papacz, P.; Pieta, H.; Reithler, H.; Schmitz, S. A.; Sonnenschein, L.; Steggemann, J.; Teyssier, D.; Bontenackels, M.; Davids, M.; Duda, M.; Flügge, G.; Geenen, H.; Giffels, M.; Haj Ahmad, W.; Heydhausen, D.; Kress, T.; Kuessel, Y.; Linn, A.; Nowack, A.; Perchalla, L.; Pooth, O.; Rennefeld, J.; Sauerland, P.; Stahl, A.; Thomas, M.; Tornier, D.; Zoeller, M. H.; Aldaya Martin, M.; Behrenhoff, W.; Behrens, U.; Bergholz, M.; Borras, K.; Cakir, A.; Campbell, A.; Castro, E.; Dammann, D.; Eckerlin, G.; Eckstein, D.; Flossdorf, A.; Flucke, G.; Geiser, A.; Glushkov, I.; Hauk, J.; Jung, H.; Kasemann, M.; Katkov, I.; Katsas, P.; Kleinwort, C.; Kluge, H.; Knutsson, A.; Krücker, D.; Kuznetsova, E.; Lange, W.; Lohmann, W.; Mankel, R.; Marienfeld, M.; Melzer-Pellmann, I.-A.; Meyer, A. B.; Mnich, J.; Mussgiller, A.; Olzem, J.; Parenti, A.; Raspereza, A.; Raval, A.; Schmidt, R.; Schoerner-Sadenius, T.; Sen, N.; Stein, M.; Tomaszewska, J.; Volyanskyy, D.; Walsh, R.; Wissing, C.; Autermann, C.; Bobrovskyi, S.; Draeger, J.; Enderle, H.; Gebbert, U.; Kaschube, K.; Kaussen, G.; Klanner, R.; Mura, B.; Naumann-Emme, S.; Nowak, F.; Pietsch, N.; Sander, C.; Schettler, H.; Schleper, P.; Schröder, M.; Schum, T.; Schwandt, J.; Srivastava, A. K.; Stadie, H.; Steinbrück, G.; Thomsen, J.; Wolf, R.; Bauer, J.; Buege, V.; Chwalek, T.; De Boer, W.; Dierlamm, A.; Dirkes, G.; Feindt, M.; Gruschke, J.; Hackstein, C.; Hartmann, F.; Heindl, S. M.; Heinrich, M.; Held, H.; Hoffmann, K. H.; Honc, S.; Kuhr, T.; Martschei, D.; Mueller, S.; Müller, Th.; Niegel, M.; Oberst, O.; Oehler, A.; Ott, J.; Peiffer, T.; Piparo, D.; Quast, G.; Rabbertz, K.; Ratnikov, F.; Renz, M.; Saout, C.; Scheurer, A.; Schieferdecker, P.; Schilling, F.-P.; Schott, G.; Simonis, H. J.; Stober, F. M.; Troendle, D.; Wagner-Kuhr, J.; Zeise, M.; Zhukov, V.; Ziebarth, E. B.; Daskalakis, G.; Geralis, T.; Kesisoglou, S.; Kyriakis, A.; Loukas, D.; Manolakos, I.; Markou, A.; Markou, C.; Mavrommatis, C.; Petrakou, E.; Gouskos, L.; Mertzimekis, T. J.; Panagiotou, A.; Evangelou, I.; Foudas, C.; Kokkas, P.; Manthos, N.; Papadopoulos, I.; Patras, V.; Triantis, F. A.; Aranyi, A.; Bencze, G.; Boldizsar, L.; Debreczeni, G.; Hajdu, C.; Horvath, D.; Kapusi, A.; Krajczar, K.; Laszlo, A.; Sikler, F.; Vesztergombi, G.; Beni, N.; Molnar, J.; Palinkas, J.; Szillasi, Z.; Veszpremi, V.; Raics, P.; Trocsanyi, Z. L.; Ujvari, B.; Bansal, S.; Beri, S. B.; Bhatnagar, V.; Dhingra, N.; Jindal, M.; Kaur, M.; Kohli, J. M.; Mehta, M. Z.; Nishu, N.; Saini, L. K.; Sharma, A.; Singh, A. P.; Singh, J. B.; Singh, S. P.; Ahuja, S.; Bhattacharya, S.; Choudhary, B. C.; Gupta, P.; Jain, S.; Jain, S.; Kumar, A.; Shivpuri, R. K.; Choudhury, R. K.; Dutta, D.; Kailas, S.; Kataria, S. K.; Mohanty, A. K.; Pant, L. M.; Shukla, P.; Suggisetti, P.; Aziz, T.; Guchait, M.; Gurtu, A.; Maity, M.; Majumder, D.; Majumder, G.; Mazumdar, K.; Mohanty, G. B.; Saha, A.; Sudhakar, K.; Wickramage, N.; Banerjee, S.; Dugad, S.; Mondal, N. K.; Arfaei, H.; Bakhshiansohi, H.; Etesami, S. M.; Fahim, A.; Hashemi, M.; Jafari, A.; Khakzad, M.; Mohammadi, A.; Mohammadi Najafabadi, M.; Paktinat Mehdiabadi, S.; Safarzadeh, B.; Zeinali, M.; Abbrescia, M.; Barbone, L.; Calabria, C.; Colaleo, A.; Creanza, D.; De Filippis, N.; De Palma, M.; Dimitrov, A.; Fedele, F.; Fiore, L.; Iaselli, G.; Lusito, L.; Maggi, G.; Maggi, M.; Manna, N.; Marangelli, B.; My, S.; Nuzzo, S.; Pacifico, N.; Pierro, G. A.; Pompili, A.; Pugliese, G.; Romano, F.; Roselli, G.; Selvaggi, G.; Silvestris, L.; Trentadue, R.; Tupputi, S.; Zito, G.; Abbiendi, G.; Benvenuti, A. C.; Bonacorsi, D.; Braibant-Giacomelli, S.; Capiluppi, P.; Castro, A.; Cavallo, F. R.; Cuffiani, M.; Dallavalle, G. M.; Fabbri, F.; Fanfani, A.; Fasanella, D.; Giacomelli, P.; Giunta, M.; Grandi, C.; Marcellini, S.; Meneghelli, M.; Montanari, A.; Navarria, F. L.; Odorici, F.; Perrotta, A.; Rossi, A. M.; Rovelli, T.; Siroli, G.; Travaglini, R.; Albergo, S.; Cappello, G.; Chiorboli, M.; Costa, S.; Tricomi, A.; Tuve, C.; Barbagli, G.; Ciulli, V.; Civinini, C.; D'Alessandro, R.; Focardi, E.; Frosali, S.; Gallo, E.; Genta, C.; Lenzi, P.; Meschini, M.; Paoletti, S.; Sguazzoni, G.; Tropiano, A.; Benussi, L.; Bianco, S.; Colafranceschi, S.; Fabbri, F.; Piccolo, D.; Fabbricatore, P.; Musenich, R.; Benaglia, A.; Cerati, G. B.; De Guio, F.; Di Matteo, L.; Ghezzi, A.; Malberti, M.; Malvezzi, S.; Martelli, A.; Massironi, A.; Menasce, D.; Moroni, L.; Paganoni, M.; Pedrini, D.; Ragazzi, S.; Redaelli, N.; Sala, S.; de Fatis, T. Tabarelli; Tancini, V.; Buontempo, S.; Carrillo Montoya, C. A.; Cimmino, A.; De Cosa, A.; De Gruttola, M.; Fabozzi, F.; Iorio, A. O. M.; Lista, L.; Merola, M.; Noli, P.; Paolucci, P.; Azzi, P.; Bacchetta, N.; Bellan, P.; Biasotto, M.; Bisello, D.; Branca, A.; Carlin, R.; Checchia, P.; Conti, E.; De Mattia, M.; Dorigo, T.; Fanzago, F.; Gasparini, F.; Giubilato, P.; Gresele, A.; Lacaprara, S.; Lazzizzera, I.; Margoni, M.; Meneguzzo, A. T.; Nespolo, M.; Perrozzi, L.; Pozzobon, N.; Ronchese, P.; Simonetto, F.; Torassa, E.; Tosi, M.; Vanini, S.; Ventura, S.; Zotto, P.; Zumerle, G.; Baesso, P.; Berzano, U.; Riccardi, C.; Torre, P.; Vitulo, P.; Viviani, C.; Biasini, M.; Bilei, G. M.; Caponeri, B.; Fanò, L.; Lariccia, P.; Lucaroni, A.; Mantovani, G.; Menichelli, M.; Nappi, A.; Santocchia, A.; Servoli, L.; Taroni, S.; Valdata, M.; Volpe, R.; Azzurri, P.; Bagliesi, G.; Bernardini, J.; Boccali, T.; Broccolo, G.; Castaldi, R.; D'Agnolo, R. T.; Dell'Orso, R.; Fiori, F.; Foà, L.; Giassi, A.; Kraan, A.; Ligabue, F.; Lomtadze, T.; Martini, L.; Messineo, A.; Palla, F.; Palmonari, F.; Sarkar, S.; Segneri, G.; Serban, A. T.; Spagnolo, P.; Tenchini, R.; Tonelli, G.; Venturi, A.; Verdini, P. G.; Barone, L.; Cavallari, F.; Del Re, D.; Di Marco, E.; Diemoz, M.; Franci, D.; Grassi, M.; Longo, E.; Organtini, G.; Palma, A.; Pandolfi, F.; Paramatti, R.; Rahatlou, S.; Amapane, N.; Arcidiacono, R.; Argiro, S.; Arneodo, M.; Biino, C.; Botta, C.; Cartiglia, N.; Castello, R.; Costa, M.; Demaria, N.; Graziano, A.; Mariotti, C.; Marone, M.; Maselli, S.; Migliore, E.; Mila, G.; Monaco, V.; Musich, M.; Obertino, M. M.; Pastrone, N.; Pelliccioni, M.; Romero, A.; Ruspa, M.; Sacchi, R.; Sola, V.; Solano, A.; Staiano, A.; Trocino, D.; Vilela Pereira, A.; Ambroglini, F.; Belforte, S.; Cossutti, F.; Della Ricca, G.; Gobbo, B.; Montanino, D.; Penzo, A.; Heo, S. G.; Chang, S.; Chung, J.; Kim, D. H.; Kim, G. N.; Kim, J. E.; Kong, D. J.; Park, H.; Son, D.; Son, D. C.; Kim, Zero; Kim, J. Y.; Song, S.; Choi, S.; Hong, B.; Jo, M.; Kim, H.; Kim, J. H.; Kim, T. J.; Lee, K. S.; Moon, D. H.; Park, S. K.; Rhee, H. B.; Seo, E.; Shin, S.; Sim, K. S.; Choi, M.; Kang, S.; Kim, H.; Park, C.; Park, I. C.; Park, S.; Ryu, G.; Choi, Y.; Choi, Y. K.; Goh, J.; Lee, J.; Lee, S.; Seo, H.; Yu, I.; Bilinskas, M. J.; Grigelionis, I.; Janulis, M.; Martisiute, D.; Petrov, P.; Sabonis, T.; Castilla Valdez, H.; De La Cruz Burelo, E.; Lopez-Fernandez, R.; Sánchez Hernández, A.; Villasenor-Cendejas, L. M.; Carrillo Moreno, S.; Vazquez Valencia, F.; Salazar Ibarguen, H. A.; Casimiro Linares, E.; Morelos Pineda, A.; Reyes-Santos, M. A.; Allfrey, P.; Krofcheck, D.; Tam, J.; Butler, P. H.; Doesburg, R.; Silverwood, H.; Ahmad, M.; Ahmed, I.; Asghar, M. I.; Hoorani, H. R.; Khan, W. A.; Khurshid, T.; Qazi, S.; Cwiok, M.; Dominik, W.; Doroba, K.; Kalinowski, A.; Konecki, M.; Krolikowski, J.; Frueboes, T.; Gokieli, R.; Górski, M.; Kazana, M.; Nawrocki, K.; Romanowska-Rybinska, K.; Szleper, M.; Wrochna, G.; Zalewski, P.; Almeida, N.; David, A.; Faccioli, P.; Ferreira Parracho, P. G.; Gallinaro, M.; Martins, P.; Musella, P.; Nayak, A.; Ribeiro, P. Q.; Seixas, J.; Silva, P.; Varela, J.; Wöhri, H. K.; Belotelov, I.; Bunin, P.; Finger, M.; Finger, M.; Golutvin, I.; Kamenev, A.; Karjavin, V.; Kozlov, G.; Lanev, A.; Moisenz, P.; Palichik, V.; Perelygin, V.; Shmatov, S.; Smirnov, V.; Volodko, A.; Zarubin, A.; Bondar, N.; Golovtsov, V.; Ivanov, Y.; Kim, V.; Levchenko, P.; Murzin, V.; Oreshkin, V.; Smirnov, I.; Sulimov, V.; Uvarov, L.; Vavilov, S.; Vorobyev, A.; Andreev, Yu.; Gninenko, S.; Golubev, N.; Kirsanov, M.; Krasnikov, N.; Matveev, V.; Pashenkov, A.; Toropin, A.; Troitsky, S.; Epshteyn, V.; Gavrilov, V.; Kaftanov, V.; Kossov, M.; Krokhotin, A.; Lychkovskaya, N.; Safronov, G.; Semenov, S.; Stolin, V.; Vlasov, E.; Zhokin, A.; Boos, E.; Dubinin, M.; Dudko, L.; Ershov, A.; Gribushin, A.; Kodolova, O.; Lokhtin, I.; Obraztsov, S.; Petrushanko, S.; Sarycheva, L.; Savrin, V.; Snigirev, A.; Andreev, V.; Azarkin, M.; Dremin, I.; Kirakosyan, M.; Rusakov, S. V.; Vinogradov, A.; Azhgirey, I.; Bitioukov, S.; Grishin, V.; Kachanov, V.; Konstantinov, D.; Korablev, A.; Krychkine, V.; Petrov, V.; Ryutin, R.; Slabospitsky, S.; Sobol, A.; Tourtchanovitch, L.; Troshin, S.; Tyurin, N.; Uzunian, A.; Volkov, A.; Adzic, P.; Djordjevic, M.; Krpic, D.; Milosevic, J.; Aguilar-Benitez, M.; Alcaraz Maestre, J.; Arce, P.; Battilana, C.; Calvo, E.; Cepeda, M.; Cerrada, M.; Colino, N.; De La Cruz, B.; Diez Pardos, C.; Fernandez Bedoya, C.; Fernández Ramos, J. P.; Ferrando, A.; Flix, J.; Fouz, M. C.; Garcia-Abia, P.; Gonzalez Lopez, O.; Goy Lopez, S.; Hernandez, J. M.; Josa, M. I.; Merino, G.; Puerta Pelayo, J.; Redondo, I.; Romero, L.; Santaolalla, J.; Willmott, C.; Albajar, C.; Codispoti, G.; de Trocóniz, J. F.; Cuevas, J.; Fernandez Menendez, J.; Folgueras, S.; Gonzalez Caballero, I.; Lloret Iglesias, L.; Vizan Garcia, J. M.; Brochero Cifuentes, J. A.; Cabrillo, I. J.; Calderon, A.; Chamizo Llatas, M.; Chuang, S. H.; Duarte Campderros, J.; Felcini, M.; Fernandez, M.; Gomez, G.; Gonzalez Sanchez, J.; Gonzalez Suarez, R.; Jorda, C.; Lobelle Pardo, P.; Lopez Virto, A.; Marco, J.; Marco, R.; Martinez Rivero, C.; Matorras, F.; Munoz Sanchez, F. J.; Piedra Gomez, J.; Rodrigo, T.; Ruiz Jimeno, A.; Scodellaro, L.; Sobron Sanudo, M.; Vila, I.; Vilar Cortabitarte, R.; Abbaneo, D.; Auffray, E.; Auzinger, G.; Baillon, P.; Ball, A. H.; Barney, D.; Bell, A. J.; Benedetti, D.; Bernet, C.; Bialas, W.; Bloch, P.; Bocci, A.; Bolognesi, S.; Breuker, H.; Brona, G.; Bunkowski, K.; Camporesi, T.; Cano, E.; Cerminara, G.; Christiansen, T.; Coarasa Perez, J. A.; Covarelli, R.; Curé, B.; D'Enterria, D.; Dahms, T.; De Roeck, A.; Duarte Ramos, F.; Elliott-Peisert, A.; Funk, W.; Gaddi, A.; Gennai, S.; Georgiou, G.; Gerwig, H.; Gigi, D.; Gill, K.; Giordano, D.; Glege, F.; Gomez-Reino Garrido, R.; Gouzevitch, M.; Govoni, P.; Gowdy, S.; Guiducci, L.; Hansen, M.; Harvey, J.; Hegeman, J.; Hegner, B.; Henderson, C.; Hoffmann, H. F.; Honma, A.; Innocente, V.; Janot, P.; Karavakis, E.; Lecoq, P.; Leonidopoulos, C.; Lourenço, C.; Macpherson, A.; Mäki, T.; Malgeri, L.; Mannelli, M.; Masetti, L.; Meijers, F.; Mersi, S.; Meschi, E.; Moser, R.; Mozer, M. U.; Mulders, M.; Nesvold, E.; Nguyen, M.; Orimoto, T.; Orsini, L.; Perez, E.; Petrilli, A.; Pfeiffer, A.; Pierini, M.; Pimiä, M.; Polese, G.; Racz, A.; Rolandi, G.; Rommerskirchen, T.; Rovelli, C.; Rovere, M.; Sakulin, H.; Schäfer, C.; Schwick, C.; Segoni, I.; Sharma, A.; Siegrist, P.; Simon, M.; Sphicas, P.; Spiga, D.; Spiropulu, M.; Stöckli, F.; Stoye, M.; Tropea, P.; Tsirou, A.; Tsyganov, A.; Veres, G. I.; Vichoudis, P.; Voutilainen, M.; Zeuner, W. D.; Bertl, W.; Deiters, K.; Erdmann, W.; Gabathuler, K.; Horisberger, R.; Ingram, Q.; Kaestli, H. C.; König, S.; Kotlinski, D.; Langenegger, U.; Meier, F.; Renker, D.; Rohe, T.; Sibille, J.; Starodumov, A.; Bortignon, P.; Caminada, L.; Chen, Z.; Cittolin, S.; Dissertori, G.; Dittmar, M.; Eugster, J.; Freudenreich, K.; Grab, C.; Hervé, A.; Hintz, W.; Lecomte, P.; Lustermann, W.; Marchica, C.; del Arbol, P. Martinez Ruiz; Meridiani, P.; Milenovic, P.; Moortgat, F.; Nef, P.; Nessi-Tedaldi, F.; Pape, L.; Pauss, F.; Punz, T.; Rizzi, A.; Ronga, F. J.; Sala, L.; Sanchez, A. K.; Sawley, M. C.; Stieger, B.; Tauscher, L.; Thea, A.; Theofilatos, K.; Treille, D.; Urscheler, C.; Wallny, R.; Weber, M.; Wehrli, L.; Weng, J.; Aguiló, E.; Amsler, C.; Chiochia, V.; De Visscher, S.; Favaro, C.; Ivova Rikova, M.; Millan Mejias, B.; Regenfus, C.; Robmann, P.; Schmidt, A.; Snoek, H.; Wilke, L.; Chang, Y. H.; Chen, K. H.; Chen, W. T.; Dutta, S.; Go, A.; Kuo, C. M.; Li, S. W.; Lin, W.; Liu, M. H.; Liu, Z. K.; Lu, Y. J.; Wu, J. H.; Yu, S. S.; Bartalini, P.; Chang, P.; Chang, Y. H.; Chang, Y. W.; Chao, Y.; Chen, K. F.; Hou, W.-S.; Hsiung, Y.; Kao, K. Y.; Lei, Y. J.; Lu, R.-S.; Shiu, J. G.; Tzeng, Y. M.; Wang, M.; Adiguzel, A.; Bakirci, M. N.; Cerci, S.; Dozen, C.; Dumanoglu, I.; Eskut, E.; Girgis, S.; Gökbulut, G.; Güler, Y.; Gurpinar, E.; Hos, I.; Kangal, E. E.; Karaman, T.; Kayis Topaksu, A.; Nart, A.; Önengüt, G.; Ozdemir, K.; Ozturk, S.; Polatöz, A.; Sogut, K.; Tali, B.; Topakli, H.; Uzun, D.; Vergili, L. N.; Vergili, M.; Zorbilmez, C.; Akin, I. V.; Aliev, T.; Bimis, S.; Deniz, M.; Gamsizkan, H.; Guler, A. M.; Ocalan, K.; Ozpineci, A.; Serin, M.; Sever, R.; Surat, U. E.; Yildirim, E.; Zeyrek, M.; Deliomeroglu, M.; Demir, D.; Gülmez, E.; Halu, A.; Isildak, B.; Kaya, M.; Kaya, O.; Özbek, M.; Ozkorucuklu, S.; Sonmez, N.; Levchuk, L.; Bell, P.; Bostock, F.; Brooke, J. J.; Cheng, T. L.; Clement, E.; Cussans, D.; Frazier, R.; Goldstein, J.; Grimes, M.; Hansen, M.; Hartley, D.; Heath, G. P.; Heath, H. F.; Huckvale, B.; Jackson, J.; Kreczko, L.; Metson, S.; Newbold, D. M.; Nirunpong, K.; Poll, A.; Senkin, S.; Smith, V. J.; Ward, S.; Basso, L.; Bell, K. W.; Belyaev, A.; Brew, C.; Brown, R. M.; Camanzi, B.; Cockerill, D. J. A.; Coughlan, J. A.; Harder, K.; Harper, S.; Kennedy, B. W.; Olaiya, E.; Petyt, D.; Radburn-Smith, B. C.; Shepherd-Themistocleous, C. H.; Tomalin, I. R.; Womersley, W. J.; Worm, S. D.; Bainbridge, R.; Ball, G.; Ballin, J.; Beuselinck, R.; Buchmuller, O.; Colling, D.; Cripps, N.; Cutajar, M.; Davies, G.; Della Negra, M.; Fulcher, J.; Futyan, D.; Guneratne Bryer, A.; Hall, G.; Hatherell, Z.; Hays, J.; Iles, G.; Karapostoli, G.; Lyons, L.; Magnan, A.-M.; Marrouche, J.; Nandi, R.; Nash, J.; Nikitenko, A.; Papageorgiou, A.; Pesaresi, M.; Petridis, K.; Pioppi, M.; Raymond, D. M.; Rompotis, N.; Rose, A.; Ryan, M. J.; Seez, C.; Sharp, P.; Sparrow, A.; Tapper, A.; Tourneur, S.; Vazquez Acosta, M.; Virdee, T.; Wakefield, S.; Wardrope, D.; Whyntie, T.; Barrett, M.; Chadwick, M.; Cole, J. E.; Hobson, P. R.; Khan, A.; Kyberd, P.; Leslie, D.; Martin, W.; Reid, I. D.; Teodorescu, L.; Hatakeyama, K.; Bose, T.; Carrera Jarrin, E.; Clough, A.; Fantasia, C.; Heister, A.; John, J. St.; Lawson, P.; Lazic, D.; Rohlf, J.; Sperka, D.; Sulak, L.; Avetisyan, A.; Bhattacharya, S.; Chou, J. P.; Cutts, D.; Esen, S.; Ferapontov, A.; Heintz, U.; Jabeen, S.; Kukartsev, G.; Landsberg, G.; Narain, M.; Nguyen, D.; Segala, M.; Speer, T.; Tsang, K. V.; Borgia, M. A.; Breedon, R.; De La Barca Sanchez, M. Calderon; Cebra, D.; Chauhan, S.; Chertok, M.; Conway, J.; Cox, P. T.; Dolen, J.; Erbacher, R.; Friis, E.; Ko, W.; Kopecky, A.; Lander, R.; Liu, H.; Maruyama, S.; Miceli, T.; Nikolic, M.; Pellett, D.; Robles, J.; Schwarz, T.; Searle, M.; Smith, J.; Squires, M.; Tripathi, M.; Vasquez Sierra, R.; Veelken, C.; Andreev, V.; Arisaka, K.; Cline, D.; Cousins, R.; Deisher, A.; Duris, J.; Erhan, S.; Farrell, C.; Hauser, J.; Ignatenko, M.; Jarvis, C.; Plager, C.; Rakness, G.; Schlein, P.; Tucker, J.; Valuev, V.; Babb, J.; Clare, R.; Ellison, J.; Gary, J. W.; Giordano, F.; Hanson, G.; Jeng, G. Y.; Kao, S. C.; Liu, F.; Liu, H.; Luthra, A.; Nguyen, H.; Pasztor, G.; Satpathy, A.; Shen, B. C.; Stringer, R.; Sturdy, J.; Sumowidagdo, S.; Wilken, R.; Wimpenny, S.; Andrews, W.; Branson, J. G.; Dusinberre, E.; Evans, D.; Golf, F.; Holzner, A.; Kelley, R.; Lebourgeois, M.; Letts, J.; Mangano, B.; Muelmenstaedt, J.; Padhi, S.; Palmer, C.; Petrucciani, G.; Pi, H.; Pieri, M.; Ranieri, R.; Sani, M.; Sharma, V.; Simon, S.; Tu, Y.; Vartak, A.; Würthwein, F.; Yagil, A.; Barge, D.; Bellan, R.; Campagnari, C.; D'Alfonso, M.; Danielson, T.; Geffert, P.; Incandela, J.; Justus, C.; Kalavase, P.; Koay, S. A.; Kovalskyi, D.; Krutelyov, V.; Lowette, S.; Mccoll, N.; Pavlunin, V.; Rebassoo, F.; Ribnik, J.; Richman, J.; Rossin, R.; Stuart, D.; To, W.; Vlimant, J. R.; Bornheim, A.; Bunn, J.; Chen, Y.; Gataullin, M.; Kcira, D.; Litvine, V.; Ma, Y.; Mott, A.; Newman, H. B.; Rogan, C.; Timciuc, V.; Traczyk, P.; Veverka, J.; Wilkinson, R.; Yang, Y.; Zhu, R. Y.; Akgun, B.; Carroll, R.; Ferguson, T.; Iiyama, Y.; Jang, D. W.; Jun, S. Y.; Liu, Y. F.; Paulini, M.; Russ, J.; Terentyev, N.; Vogel, H.; Vorobiev, I.; Cumalat, J. P.; Dinardo, M. E.; Drell, B. R.; Edelmaier, C. J.; Ford, W. T.; Heyburn, B.; Luiggi Lopez, E.; Nauenberg, U.; Smith, J. G.; Stenson, K.; Ulmer, K. A.; Wagner, S. R.; Zang, S. L.; Agostino, L.; Alexander, J.; Chatterjee, A.; Das, S.; Eggert, N.; Fields, L. J.; Gibbons, L. K.; Heltsley, B.; Hopkins, W.; Khukhunaishvili, A.; Kreis, B.; Kuznetsov, V.; Nicolas Kaufman, G.; Patterson, J. R.; Puigh, D.; Riley, D.; Ryd, A.; Shi, X.; Sun, W.; Teo, W. D.; Thom, J.; Thompson, J.; Vaughan, J.; Weng, Y.; Winstrom, L.; Wittich, P.; Biselli, A.; Cirino, G.; Winn, D.; Abdullin, S.; Albrow, M.; Anderson, J.; Apollinari, G.; Atac, M.; Bakken, J. A.; Banerjee, S.; Bauerdick, L. A. T.; Beretvas, A.; Berryhill, J.; Bhat, P. C.; Bloch, I.; Borcherding, F.; Burkett, K.; Butler, J. N.; Chetluru, V.; Cheung, H. W. K.; Chlebana, F.; Cihangir, S.; Demarteau, M.; Eartly, D. P.; Elvira, V. D.; Fisk, I.; Freeman, J.; Gao, Y.; Gottschalk, E.; Green, D.; Gunthoti, K.; Gutsche, O.; Hahn, A.; Hanlon, J.; Harris, R. M.; Hirschauer, J.; Hooberman, B.; James, E.; Jensen, H.; Johnson, M.; Joshi, U.; Khatiwada, R.; Kilminster, B.; Klima, B.; Kousouris, K.; Kunori, S.; Kwan, S.; Limon, P.; Lipton, R.; Lykken, J.; Maeshima, K.; Marraffino, J. M.; Mason, D.; McBride, P.; McCauley, T.; Miao, T.; Mishra, K.; Mrenna, S.; Musienko, Y.; Newman-Holmes, C.; O'Dell, V.; Popescu, S.; Pordes, R.; Prokofyev, O.; Saoulidou, N.; Sexton-Kennedy, E.; Sharma, S.; Soha, A.; Spalding, W. J.; Spiegel, L.; Tan, P.; Taylor, L.; Tkaczyk, S.; Uplegger, L.; Vaandering, E. W.; Vidal, R.; Whitmore, J.; Wu, W.; Yang, F.; Yumiceva, F.; Yun, J. C.; Acosta, D.; Avery, P.; Bourilkov, D.; Chen, M.; Di Giovanni, G. P.; Dobur, D.; Drozdetskiy, A.; Field, R. D.; Fisher, M.; Fu, Y.; Furic, I. K.; Gartner, J.; Goldberg, S.; Kim, B.; Klimenko, S.; Konigsberg, J.; Korytov, A.; Kropivnitskaya, A.; Kypreos, T.; Matchev, K.; Mitselmakher, G.; Muniz, L.; Pakhotin, Y.; Prescott, C.; Remington, R.; Schmitt, M.; Scurlock, B.; Sellers, P.; Skhirtladze, N.; Wang, D.; Yelton, J.; Zakaria, M.; Ceron, C.; Gaultney, V.; Kramer, L.; Lebolo, L. M.; Linn, S.; Markowitz, P.; Martinez, G.; Rodriguez, J. L.; Adams, T.; Askew, A.; Bandurin, D.; Bochenek, J.; Chen, J.; Diamond, B.; Gleyzer, S. V.; Haas, J.; Hagopian, S.; Hagopian, V.; Jenkins, M.; Johnson, K. F.; Prosper, H.; Sekmen, S.; Veeraraghavan, V.; Baarmand, M. M.; Dorney, B.; Guragain, S.; Hohlmann, M.; Kaakhety, H.; Ralich, R.; Vodopiyanov, I.; Adams, M. R.; Anghel, I. M.; Apanasevich, L.; Bai, Y.; Bazterra, V. E.; Betts, R. R.; Callner, J.; Cavanaugh, R.; Dragoiu, C.; Garcia-Solis, E. J.; Gerber, C. E.; Hofman, D. J.; Khalatyan, S.; Lacroix, F.; O'Brien, C.; Silvestre, C.; Smoron, A.; Strom, D.; Varelas, N.; Akgun, U.; Albayrak, E. A.; Bilki, B.; Cankocak, K.; Clarida, W.; Duru, F.; Lae, C. K.; McCliment, E.; Merlo, J.-P.; Mermerkaya, H.; Mestvirishvili, A.; Moeller, A.; Nachtman, J.; Newsom, C. R.; Norbeck, E.; Olson, J.; Onel, Y.; Ozok, F.; Sen, S.; Wetzel, J.; Yetkin, T.; Yi, K.; Barnett, B. A.; Blumenfeld, B.; Bonato, A.; Eskew, C.; Fehling, D.; Giurgiu, G.; Gritsan, A. V.; Guo, Z. J.; Hu, G.; Maksimovic, P.; Rappoccio, S.; Swartz, M.; Tran, N. V.; Whitbeck, A.; Baringer, P.; Bean, A.; Benelli, G.; Grachov, O.; Murray, M.; Noonan, D.; Radicci, V.; Sanders, S.; Wood, J. S.; Zhukova, V.; Bolton, T.; Chakaberia, I.; Ivanov, A.; Makouski, M.; Maravin, Y.; Shrestha, S.; Svintradze, I.; Wan, Z.; Gronberg, J.; Lange, D.; Wright, D.; Baden, A.; Boutemeur, M.; Eno, S. C.; Ferencek, D.; Gomez, J. A.; Hadley, N. J.; Kellogg, R. G.; Kirn, M.; Lu, Y.; Mignerey, A. C.; Rossato, K.; Rumerio, P.; Santanastasio, F.; Skuja, A.; Temple, J.; Tonjes, M. B.; Tonwar, S. C.; Twedt, E.; Alver, B.; Bauer, G.; Bendavid, J.; Busza, W.; Butz, E.; Cali, I. A.; Chan, M.; Dutta, V.; Everaerts, P.; Gomez Ceballos, G.; Goncharov, M.; Hahn, K. A.; Harris, P.; Kim, Y.; Klute, M.; Lee, Y.-J.; Li, W.; Loizides, C.; Luckey, P. D.; Ma, T.; Nahn, S.; Paus, C.; Roland, C.; Roland, G.; Rudolph, M.; Stephans, G. S. F.; Sumorok, K.; Sung, K.; Wenger, E. A.; Xie, S.; Yang, M.; Yilmaz, Y.; Yoon, A. S.; Zanetti, M.; Cole, P.; Cooper, S. I.; Cushman, P.; Dahmes, B.; De Benedetti, A.; Dudero, P. R.; Franzoni, G.; Haupt, J.; Klapoetke, K.; Kubota, Y.; Mans, J.; Rekovic, V.; Rusack, R.; Sasseville, M.; Singovsky, A.; Cremaldi, L. M.; Godang, R.; Kroeger, R.; Perera, L.; Rahmat, R.; Sanders, D. A.; Summers, D.; Bloom, K.; Bose, S.; Butt, J.; Claes, D. R.; Dominguez, A.; Eads, M.; Keller, J.; Kelly, T.; Kravchenko, I.; Lazo-Flores, J.; Lundstedt, C.; Malbouisson, H.; Malik, S.; Snow, G. R.; Baur, U.; Godshalk, A.; Iashvili, I.; Kharchilava, A.; Kumar, A.; Smith, K.; Alverson, G.; Barberis, E.; Baumgartel, D.; Boeriu, O.; Chasco, M.; Kaadze, K.; Reucroft, S.; Swain, J.; Wood, D.; Zhang, J.; Anastassov, A.; Kubik, A.; Odell, N.; Ofierzynski, R. A.; Pollack, B.; Pozdnyakov, A.; Schmitt, M.; Stoynev, S.; Velasco, M.; Won, S.; Antonelli, L.; Berry, D.; Hildreth, M.; Jessop, C.; Karmgard, D. J.; Kolb, J.; Kolberg, T.; Lannon, K.; Luo, W.; Lynch, S.; Marinelli, N.; Morse, D. M.; Pearson, T.; Ruchti, R.; Slaunwhite, J.; Valls, N.; Warchol, J.; Wayne, M.; Ziegler, J.; Bylsma, B.; Durkin, L. S.; Gu, J.; Hill, C.; Killewald, P.; Kotov, K.; Ling, T. Y.; Rodenburg, M.; Williams, G.; Adam, N.; Berry, E.; Elmer, P.; Gerbaudo, D.; Halyo, V.; Hebda, P.; Hunt, A.; Jones, J.; Laird, E.; Lopes Pegna, D.; Marlow, D.; Medvedeva, T.; Mooney, M.; Olsen, J.; Piroué, P.; Quan, X.; Saka, H.; Stickland, D.; Tully, C.; Werner, J. S.; Zuranski, A.; Acosta, J. G.; Huang, X. T.; Lopez, A.; Mendez, H.; Oliveros, S.; Ramirez Vargas, J. E.; Zatserklyaniy, A.; Alagoz, E.; Barnes, V. E.; Bolla, G.; Borrello, L.; Bortoletto, D.; Everett, A.; Garfinkel, A. F.; Gecse, Z.; Gutay, L.; Jones, M.; Koybasi, O.; Laasanen, A. T.; Leonardo, N.; Liu, C.; Maroussov, V.; Merkel, P.; Miller, D. H.; Neumeister, N.; Potamianos, K.; Shipsey, I.; Silvers, D.; Svyatkovskiy, A.; Yoo, H. D.; Zablocki, J.; Zheng, Y.; Jindal, P.; Parashar, N.; Boulahouache, C.; Cuplov, V.; Ecklund, K. M.; Geurts, F. J. M.; Liu, J. H.; Morales, J.; Padley, B. P.; Redjimi, R.; Roberts, J.; Zabel, J.; Betchart, B.; Bodek, A.; Chung, Y. S.; de Barbaro, P.; Demina, R.; Eshaq, Y.; Flacher, H.; Garcia-Bellido, A.; Goldenzweig, P.; Gotra, Y.; Han, J.; Harel, A.; Miner, D. C.; Orbaker, D.; Petrillo, G.; Vishnevskiy, D.; Zielinski, M.; Bhatti, A.; Demortier, L.; Goulianos, K.; Lungu, G.; Mesropian, C.; Yan, M.; Atramentov, O.; Barker, A.; Duggan, D.; Gershtein, Y.; Gray, R.; Halkiadakis, E.; Hidas, D.; Hits, D.; Lath, A.; Panwalkar, S.; Patel, R.; Richards, A.; Rose, K.; Schnetzer, S.; Somalwar, S.; Stone, R.; Thomas, S.; Cerizza, G.; Hollingsworth, M.; Spanier, S.; Yang, Z. C.; York, A.; Asaadi, J.; Eusebi, R.; Gilmore, J.; Gurrola, A.; Kamon, T.; Khotilovich, V.; Montalvo, R.; Nguyen, C. N.; Pivarski, J.; Safonov, A.; Sengupta, S.; Tatarinov, A.; Toback, D.; Weinberger, M.; Akchurin, N.; Bardak, C.; Damgov, J.; Jeong, C.; Kovitanggoon, K.; Lee, S. W.; Mane, P.; Roh, Y.; Sill, A.; Volobouev, I.; Wigmans, R.; Yazgan, E.; Appelt, E.; Brownson, E.; Engh, D.; Florez, C.; Gabella, W.; Johns, W.; Kurt, P.; Maguire, C.; Mel, A.; Sheldon, P.; Velkovska, J.; Arenton, M. W.; Balazs, M.; Boutle, S.; Buehler, M.; Conetti, S.; Cox, B.; Francis, B.; Hirosky, R.; Ledovskoy, A.; Lin, C.; Neu, C.; Yohay, R.; Gollapinni, S.; Harr, R.; Karchin, P. E.; Mattson, M.; Milstène, C.; Sakharov, A.; Anderson, M.; Bachtis, M.; Bellinger, J. N.; Carlsmith, D.; Dasu, S.; Efron, J.; Gray, L.; Grogg, K. S.; Grothe, M.; Hall-Wilton, R.; Herndon, M.; Klabbers, P.; Klukas, J.; Lanaro, A.; Lazaridis, C.; Leonard, J.; Lomidze, D.; Loveless, R.; Mohapatra, A.; Parker, W.; Reeder, D.; Ross, I.; Savin, A.; Smith, W. H.; Swanson, J.; Weinberg, M.

2011-01-01

Measurements of primary charged hadron multiplicity distributions are presented for non-single-diffractive events in proton-proton collisions at centre-of-mass energies of sqrt {s} = 0.9 , 2.36, and 7 TeV, in five pseudorapidity ranges from | η| < 0 .5 to | η| < 2 .4. The data were collected with the minimum-bias trigger of the CMS experiment during the LHC commissioning runs in 2009 and the 7 TeV run in 2010. The multiplicity distribution at sqrt {s} = 0.9{text{TeV}} is in agreement with previous measurements. At higher energies the increase of the mean multiplicity with sqrt {s} is underestimated by most event generators. The average transverse momentum as a function of the multiplicity is also presented. The measurement of higher-order moments of the multiplicity distribution confirms the violation of Koba-Nielsen-Olesen scaling that has been observed at lower energies.

Superlattice photoelectrodes for photoelectrochemical cells

DOEpatents

Nozik, Arthur J.

1987-01-01

A superlattice or multiple-quantum-well semiconductor is used as a photoelectrode in a photoelectrochemical process for converting solar energy into useful fuels or chemicals. The quantum minibands of the superlattice or multiple-quantum-well semiconductor effectively capture hot-charge carriers at or near their discrete quantum energies and deliver them to drive a chemical reaction in an electrolyte. The hot-charge carries can be injected into the electrolyte at or near the various discrete multiple energy levels quantum minibands, or they can be equilibrated among themselves to a hot-carrier pool and then injected into the electrolyte at one average energy that is higher than the lowest quantum band gap in the semiconductor.

Ecosystem-Service Tradeoffs Associated with Switching from Annual to Perennial Energy Crops in Riparian Zones of the US Midwest

PubMed Central

Meehan, Timothy D.; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D.; Mooney, Daniel F.; Ventura, Stephen J.; Barham, Bradford L.; Jackson, Randall D.

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots – watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes. PMID:24223215

Ecosystem-service tradeoffs associated with switching from annual to perennial energy crops in riparian zones of the US Midwest.

PubMed

Meehan, Timothy D; Gratton, Claudio; Diehl, Erica; Hunt, Natalie D; Mooney, Daniel F; Ventura, Stephen J; Barham, Bradford L; Jackson, Randall D

2013-01-01

Integration of energy crops into agricultural landscapes could promote sustainability if they are placed in ways that foster multiple ecosystem services and mitigate ecosystem disservices from existing crops. We conducted a modeling study to investigate how replacing annual energy crops with perennial energy crops along Wisconsin waterways could affect a variety of provisioning and regulating ecosystem services. We found that a switch from continuous corn production to perennial-grass production decreased annual income provisioning by 75%, although it increased annual energy provisioning by 33%, decreased annual phosphorous loading to surface water by 29%, increased below-ground carbon sequestration by 30%, decreased annual nitrous oxide emissions by 84%, increased an index of pollinator abundance by an average of 11%, and increased an index of biocontrol potential by an average of 6%. We expressed the tradeoffs between income provisioning and other ecosystem services as benefit-cost ratios. Benefit-cost ratios averaged 12.06 GJ of additional net energy, 0.84 kg of avoided phosphorus pollution, 18.97 Mg of sequestered carbon, and 1.99 kg of avoided nitrous oxide emissions for every $1,000 reduction in income. These ratios varied spatially, from 2- to 70-fold depending on the ecosystem service. Benefit-cost ratios for different ecosystem services were generally correlated within watersheds, suggesting the presence of hotspots--watersheds where increases in multiple ecosystem services would come at lower-than-average opportunity costs. When assessing the monetary value of ecosystem services relative to existing conservation programs and environmental markets, the overall value of enhanced services associated with adoption of perennial energy crops was far lower than the opportunity cost. However, when we monitized services using estimates for the social costs of pollution, the value of enhanced services far exceeded the opportunity cost. This disparity between recoverable costs and social value represents a fundamental challenge to expansion of perennial energy crops and sustainable agricultural landscapes.

Dye Sensitized Solar Cells for Economically Viable Photovoltaic Systems.

PubMed

Jung, Hyun Suk; Lee, Jung-Kun

2013-05-16

TiO2 nanoparticle-based dye sensitized solar cells (DSSCs) have attracted a significant level of scientific and technological interest for their potential as economically viable photovoltaic devices. While DSSCs have multiple benefits such as material abundance, a short energy payback period, constant power output, and compatibility with flexible applications, there are still several challenges that hold back large scale commercialization. Critical factors determining the future of DSSCs involve energy conversion efficiency, long-term stability, and production cost. Continuous advancement of their long-term stability suggests that state-of-the-art DSSCs will operate for over 20 years without a significant decrease in performance. Nevertheless, key questions remain in regards to energy conversion efficiency improvements and material cost reduction. In this Perspective, the present state of the field and the ongoing efforts to address the requirements of DSSCs are summarized with views on the future of DSSCs.

Rockfall travel distances theoretical distributions

NASA Astrophysics Data System (ADS)

Jaboyedoff, Michel; Derron, Marc-Henri; Pedrazzini, Andrea

2017-04-01

The probability of propagation of rockfalls is a key part of hazard assessment, because it permits to extrapolate the probability of propagation of rockfall either based on partial data or simply theoretically. The propagation can be assumed frictional which permits to describe on average the propagation by a line of kinetic energy which corresponds to the loss of energy along the path. But loss of energy can also be assumed as a multiplicative process or a purely random process. The distributions of the rockfall block stop points can be deduced from such simple models, they lead to Gaussian, Inverse-Gaussian, Log-normal or exponential negative distributions. The theoretical background is presented, and the comparisons of some of these models with existing data indicate that these assumptions are relevant. The results are either based on theoretical considerations or by fitting results. They are potentially very useful for rockfall hazard zoning and risk assessment. This approach will need further investigations.

A wireless power transmission system for an active capsule endoscope for colon inspection.

PubMed

Jia, Zhiwei; Yan, Guozheng; Shi, Yu; Zhu, Bingquan

2012-07-01

Multipurpose active capsule endoscopes (ACE) have drawn considerable attention in recent years, but these devices continue to suffer from energy limitations. In order to deliver stable and sufficient energy safely, a wireless power transmission system based on inductive coupling is presented. The system consists of a double-layer solenoid pair primary coil outside and a multiple secondary coils inside the body. At least 500 mW usable power can be transmitted under the worst geometrical conditions and the safety restraints in a volume of Φ13 × 13 mm. The wireless power transmission system is integrated to an ACE and applied in animal experiments. The designed wireless power transmission is proved to be feasible and potentially safe in a future application.

Superconducting Effects in Optimization of Magnetic Penetration Thermometers for X-ray Microcalorimeters

NASA Technical Reports Server (NTRS)

Stevenson, T. R.; Balvin, M. A.; Bandler, S. R.; Busch, S. E.; Denis, K. L.; Hsieh, W. T.; Kelly, D. P.; Merrell, W.; Nagler, P. C.; Porst, J. P.;

Implementing and testing theoretical fission fragment yields in a Hauser-Feshbach statistical decay framework

NASA Astrophysics Data System (ADS)

Jaffke, Patrick; Möller, Peter; Stetcu, Ionel; Talou, Patrick; Schmitt, Christelle

2018-03-01

We implement fission fragment yields, calculated using Brownian shape-motion on a macroscopic-microscopic potential energy surface in six dimensions, into the Hauser-Feshbach statistical decay code CGMF. This combination allows us to test the impact of utilizing theoretically-calculated fission fragment yields on the subsequent prompt neutron and γ-ray emission. We draw connections between the fragment yields and the total kinetic energy TKE of the fission fragments and demonstrate that the use of calculated yields can introduce a difference in the 〈TKE〉 and, thus, the prompt neutron multiplicity v, as compared with experimental fragment yields. We deduce the uncertainty on the 〈TKE〉 and v from this procedure and identify possible applications.

Computing wave functions in multichannel collisions with non-local potentials using the R-matrix method

NASA Astrophysics Data System (ADS)

Bonitati, Joey; Slimmer, Ben; Li, Weichuan; Potel, Gregory; Nunes, Filomena

2017-09-01

The calculable form of the R-matrix method has been previously shown to be a useful tool in approximately solving the Schrodinger equation in nuclear scattering problems. We use this technique combined with the Gauss quadrature for the Lagrange-mesh method to efficiently solve for the wave functions of projectile nuclei in low energy collisions (1-100 MeV) involving an arbitrary number of channels. We include the local Woods-Saxon potential, the non-local potential of Perey and Buck, a Coulomb potential, and a coupling potential to computationally solve for the wave function of two nuclei at short distances. Object oriented programming is used to increase modularity, and parallel programming techniques are introduced to reduce computation time. We conclude that the R-matrix method is an effective method to predict the wave functions of nuclei in scattering problems involving both multiple channels and non-local potentials. Michigan State University iCER ACRES REU.

A theoretical study of the adiabatic and vertical ionization potentials of water.

PubMed

Feller, David; Davidson, Ernest R

2018-06-21

Theoretical predictions of the three lowest adiabatic and vertical ionization potentials of water were obtained from the Feller-Peterson-Dixon approach. This approach combines multiple levels of coupled cluster theory with basis sets as large as aug-cc-pV8Z in some cases and various corrections up to and including full configuration interaction theory. While agreement with experiment for the adiabatic ionization potential of the lowest energy 2 B 1 state was excellent, differences for other states were much larger, sometimes exceeding 10 kcal/mol (0.43 eV). Errors of this magnitude are inconsistent with previous benchmark work on 52 adiabatic ionization potentials, where a root mean square of 0.20 kcal/mol (0.009 eV) was found. Difficulties in direct comparisons between theory and experiment for vertical ionization potentials are discussed. With regard to the differences found for the 2 A 1 / 2 Π u and 2 B 2 adiabatic ionization potentials, a reinterpretation of the experimental spectrum appears justified.

Novel Control Strategy for Multiple Run-of-the-River Hydro Power Plants to Provide Grid Ancillary Services

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

Mohanpurkar, Manish; Luo, Yusheng; Hovsapian, Rob

Hydropower plant (HPP) generation comprises a considerable portion of bulk electricity generation and is delivered with a low-carbon footprint. In fact, HPP electricity generation provides the largest share from renewable energy resources, which include wind and solar. Increasing penetration levels of wind and solar lead to a lower inertia on the electric grid, which poses stability challenges. In recent years, breakthroughs in energy storage technologies have demonstrated the economic and technical feasibility of extensive deployments of renewable energy resources on electric grids. If integrated with scalable, multi-time-step energy storage so that the total output can be controlled, multiple run-of-the-river (ROR)more » HPPs can be deployed. Although the size of a single energy storage system is much smaller than that of a typical reservoir, the ratings of storages and multiple ROR HPPs approximately equal the rating of a large, conventional HPP. This paper proposes cohesively managing multiple sets of energy storage systems distributed in different locations. This paper also describes the challenges associated with ROR HPP system architecture and operation.« less

78 FR 23335 - Energy Conservation Program: Energy Conservation Standards for Distribution Transformers

Federal Register 2010, 2011, 2012, 2013, 2014

2013-04-18

... Basic Impulse Level 4. Dual/Multiple-Voltage Primary Windings 5. Dual/Multiple-Voltage Secondary Windings 6. Loading B. Technological Feasibility 1. General 2. Maximum Technologically Feasible Levels C...

Energy Efficiency Financing for Low- and Moderate-Income Households: Current State of the Market, Issues, and Opportunities

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

Leventis, Greg; Kramer, Chris; Schwartz, Lisa

Ensuring that low- and moderate-income (LMI) households have access to energy efficiency is equitable, provides energy savings as a resource to meet energy needs, and can support multiple policy goals, such as affordable energy, job creation, and improved public health. Although the need is great, many LMI households may not be able to afford efficiency improvements or may be inhibited from adopting efficiency for other reasons. Decision-makers across the country are currently exploring the challenges and potential solutions to ramping up adoption of efficiency in LMI households, including the use of financing. The report’s objective is to offer state andmore » local policymakers, state utility regulators, program administrators, financial institutions, consumer advocates and other LMI stakeholders with an understanding of: -The relationship between LMI communities and financing for energy efficiency, including important considerations for its use such as consumer protections -The larger programmatic context of grant-based assistance and other related resources supporting LMI household energy efficiency -Lessons learned from existing energy efficiency financing programs serving LMI households -Financing products used by these programs and their relative advantages and disadvantages in addressing barriers to financing or to energy efficiency uptake for LMI households« less

Heavy quark energy loss in high multiplicity proton-proton collisions at the LHC.

PubMed

Vogel, Sascha; Gossiaux, Pol Bernard; Werner, Klaus; Aichelin, Jörg

2011-07-15

One of the most promising probes to study deconfined matter created in high energy nuclear collisions is the energy loss of (heavy) quarks. It has been shown in experiments at the Relativistic Heavy Ion Collider that even charm and bottom quarks, despite their high mass, experience a remarkable medium suppression in the quark gluon plasma. In this exploratory investigation we study the energy loss of heavy quarks in high multiplicity proton-proton collisions at LHC energies. Although the colliding systems are smaller than compared to those at the Relativistic Heavy Ion Collider (p+p vs Au+Au), the higher energy might lead to multiplicities comparable to Cu+Cu collisions at the Relativistic Heavy Ion Collider. The interaction of charm quarks with this environment gives rise to a non-negligible suppression of high momentum heavy quarks in elementary collisions.

Role of nonthermal electron on the dynamics of relativistic electromagnetic soliton in the interaction of laser-plasma

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

Rostampooran, Shabnam; Dorranian, Davoud, E-mail: doran@srbiau.ac.ir

A system of nonlinear one-dimensional equations of the electron hydrodynamics with Maxwell's equations was developed to describe electromagnetic (EM) solitons in plasma with nonthermal electrons. Equation of vector potential was derived in relativistic regime by implementing the multiple scales technique, and their solitonic answers were introduced. The allowed regions for bright and dark electromagnetic solitons were discussed in detail. Roles of number density of nonthermal electrons, temperature of electrons, and frequency of fast participate of vector potential on the Sagdeev potential and properties of EM soliton were investigated. Results show that with increasing the number of nonthermal electrons, the amplitudemore » of vector potential of bright solitons increases. By increasing the number of nonthermal electrons, dark EM solitons may be changed to bright solitons. Increasing the energy of nonthermal electrons leads to generation of high amplitude solitons.« less

Ultrastructural evaluation of multiple pass low energy versus single pass high energy radio-frequency treatment.

PubMed

Kist, David; Burns, A Jay; Sanner, Roth; Counters, Jeff; Zelickson, Brian

2006-02-01

The radio-frequency (RF) device is a system capable of volumetric heating of the mid to deep dermis and selective heating of the fibrous septa strands and fascia layer. Clinically, these effects promote dermal collagen production, and tightening of these deep subcutaneous structures. A new technique of using multiple low energy passes has been described which results in lower patient discomfort and fewer side effects. This technique has also been anecdotally described as giving more reproducible and reliable clinical results of tissue tightening and contouring. This study will compare ultrastructural changes in collagen between a single pass high energy versus up to five passes of a multiple pass lower energy treatment. Three subjects were consented and treated in the preauricular region with the RF device using single or multiple passes (three or five) in the same 1.5 cm(2) treatment area with a slight delay between passes to allow tissue cooling. Biopsies from each treatment region and a control biopsy were taken immediately, 24 hours or 6 months post treatment for electron microscopic examination of the 0-1 mm and 1-2 mm levels. Sections of tissue 1 mm x 1 mm x 80 nm were examined with an RCA EMU-4 Transmission Electron Microscope. Twenty sections from 6 blocks from each 1 mm depth were examined by 2 blinded observers. The morphology and degree of collagen change in relation to area examined was compared to the control tissue, and estimated using a quantitative scale. Ultrastructural examination of tissue showed that an increased amount of collagen fibril changes with increasing passes at energies of 97 J (three passes) and 122 J (five passes), respectively. The changes seen after five multiple passes were similar to those detected after much more painful single pass high-energy treatments. This ultrastructural study shows changes in collagen fibril morphology with an increased effect demonstrated at greater depths of the skin with multiple low-fluence passes and at lesser depths with single pass higher fluence settings. Findings suggest that similar collagen fibril alteration can occur with multiple pass low-energy treatments and single pulse high-energy treatments. The lower fluence multiple pass approach is associated with less patient discomfort, less side effects, and more consistent clinical results. Copyright 2005 Wiley-Liss, Inc.

Analysis and investigation of temperature and hydrostatic pressure effects on optical characteristics of multiple quantum well slow light devices.

PubMed

Abdolhosseini, Saeed; Kohandani, Reza; Kaatuzian, Hassan

2017-09-10

This paper represents the influences of temperature and hydrostatic pressure variations on GaAs/AlGaAs multiple quantum well slow light systems based on coherence population oscillations. An analytical model in non-integer dimension space is used to study the considerable effects of these parameters on optical properties of the slow light apparatus. Exciton oscillator strength and fractional dimension constants have special roles on the analytical model in fractional dimension. Hence, the impacts of hydrostatic pressure and temperature on exciton oscillator strength and fractional dimension quantity are investigated theoretically in this paper. Based on the achieved results, temperature and hydrostatic pressure play key roles on optical parameters of the slow light systems, such as the slow down factor and central energy of the device. It is found that the slope and value of the refractive index real part change with alterations of temperature and hydrostatic pressure in the range of 5-40 deg of Kelvin and 1 bar to 2 kbar, respectively. Thus, the peak value of the slow down factor can be adjusted by altering these parameters. Moreover, the central energy of the device shifts when the hydrostatic pressure is applied to the slow light device or temperature is varied. In comparison with previous reported experimental results, our simulations follow them successfully. It is shown that the maximum value of the slow down factor is estimated close to 5.5×10 4 with a fine adjustment of temperature and hydrostatic pressure. Meanwhile, the central energy shift of the slow light device rises up to 27 meV, which provides an appropriate basis for different optical devices in which multiple quantum well slow light is one of their essential subsections. This multiple quantum well slow light device has potential applications for use as a tunable optical buffer and pressure/temperature sensors.

Characterization of Compton-scatter imaging with an analytical simulation method

PubMed Central

Jones, Kevin C; Redler, Gage; Templeton, Alistair; Bernard, Damian; Turian, Julius V; Chu, James C H

2018-01-01

By collimating the photons scattered when a megavoltage therapy beam interacts with the patient, a Compton-scatter image may be formed without the delivery of an extra dose. To characterize and assess the potential of the technique, an analytical model for simulating scatter images was developed and validated against Monte Carlo (MC). For three phantoms, the scatter images collected during irradiation with a 6 MV flattening-filter-free therapy beam were simulated. Images, profiles, and spectra were compared for different phantoms and different irradiation angles. The proposed analytical method simulates accurate scatter images up to 1000 times faster than MC. Minor differences between MC and analytical simulated images are attributed to limitations in the isotropic superposition/convolution algorithm used to analytically model multiple-order scattering. For a detector placed at 90° relative to the treatment beam, the simulated scattered photon energy spectrum peaks at 140–220 keV, and 40–50% of the photons are the result of multiple scattering. The high energy photons originate at the beam entrance. Increasing the angle between source and detector increases the average energy of the collected photons and decreases the relative contribution of multiple scattered photons. Multiple scattered photons cause blurring in the image. For an ideal 5 mm diameter pinhole collimator placed 18.5 cm from the isocenter, 10 cGy of deposited dose (2 Hz imaging rate for 1200 MU min−1 treatment delivery) is expected to generate an average 1000 photons per mm2 at the detector. For the considered lung tumor CT phantom, the contrast is high enough to clearly identify the lung tumor in the scatter image. Increasing the treatment beam size perpendicular to the detector plane decreases the contrast, although the scatter subject contrast is expected to be greater than the megavoltage transmission image contrast. With the analytical method, real-time tumor tracking may be possible through comparison of simulated and acquired patient images. PMID:29243663

Characterization of Compton-scatter imaging with an analytical simulation method

NASA Astrophysics Data System (ADS)

Jones, Kevin C.; Redler, Gage; Templeton, Alistair; Bernard, Damian; Turian, Julius V.; Chu, James C. H.

2018-01-01

By collimating the photons scattered when a megavoltage therapy beam interacts with the patient, a Compton-scatter image may be formed without the delivery of an extra dose. To characterize and assess the potential of the technique, an analytical model for simulating scatter images was developed and validated against Monte Carlo (MC). For three phantoms, the scatter images collected during irradiation with a 6 MV flattening-filter-free therapy beam were simulated. Images, profiles, and spectra were compared for different phantoms and different irradiation angles. The proposed analytical method simulates accurate scatter images up to 1000 times faster than MC. Minor differences between MC and analytical simulated images are attributed to limitations in the isotropic superposition/convolution algorithm used to analytically model multiple-order scattering. For a detector placed at 90° relative to the treatment beam, the simulated scattered photon energy spectrum peaks at 140-220 keV, and 40-50% of the photons are the result of multiple scattering. The high energy photons originate at the beam entrance. Increasing the angle between source and detector increases the average energy of the collected photons and decreases the relative contribution of multiple scattered photons. Multiple scattered photons cause blurring in the image. For an ideal 5 mm diameter pinhole collimator placed 18.5 cm from the isocenter, 10 cGy of deposited dose (2 Hz imaging rate for 1200 MU min-1 treatment delivery) is expected to generate an average 1000 photons per mm2 at the detector. For the considered lung tumor CT phantom, the contrast is high enough to clearly identify the lung tumor in the scatter image. Increasing the treatment beam size perpendicular to the detector plane decreases the contrast, although the scatter subject contrast is expected to be greater than the megavoltage transmission image contrast. With the analytical method, real-time tumor tracking may be possible through comparison of simulated and acquired patient images.

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

Rose, Sunniva J.; Zeiser, Fabio; Wilson, J. N.

Prompt-fission γ rays are responsible for approximately 5% of the total energy released in fission, and therefore important to understand when modeling nuclear reactors. In this work we present prompt γ-ray emission characteristics in fission as a function of the nuclear excitation energy of the fissioning system. Emitted γ-ray spectra were measured, and γ-ray multiplicities and average and total γ energies per fission were determined for the 233U(d,pf) reaction for excitation energies between 4.8 and 10 MeV, and for the 239Pu(d,pf) reaction between 4.5 and 9 MeV. The spectral characteristics show no significant change as a function of excitation energymore » above the fission barrier, despite the fact that an extra ~5 MeV of energy is potentially available in the excited fragments for γ decay. The measured results are compared with model calculations made for prompt γ-ray emission with the fission model code gef. In conclusion, further comparison with previously obtained results from thermal neutron induced fission is made to characterize possible differences arising from using the surrogate (d,p) reaction.« less

A Method for Modeling Household Occupant Behavior to Simulate Residential Energy Consumption

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

Johnson, Brandon J; Starke, Michael R; Abdelaziz, Omar

2014-01-01

This paper presents a statistical method for modeling the behavior of household occupants to estimate residential energy consumption. Using data gathered by the U.S. Census Bureau in the American Time Use Survey (ATUS), actions carried out by survey respondents are categorized into ten distinct activities. These activities are defined to correspond to the major energy consuming loads commonly found within the residential sector. Next, time varying minute resolution Markov chain based statistical models of different occupant types are developed. Using these behavioral models, individual occupants are simulated to show how an occupant interacts with the major residential energy consuming loadsmore » throughout the day. From these simulations, the minimum number of occupants, and consequently the minimum number of multiple occupant households, needing to be simulated to produce a statistically accurate representation of aggregate residential behavior can be determined. Finally, future work will involve the use of these occupant models along side residential load models to produce a high-resolution energy consumption profile and estimate the potential for demand response from residential loads.« less

Modulation of Food Reward by Endocrine and Environmental Factors: Update and Perspective.

PubMed

Figlewicz, Dianne P

2015-01-01

Palatable foods are frequently high in energy density. Chronic consumption of high-energy density foods can contribute to the development of cardiometabolic pathology including obesity, diabetes, and cardiovascular disease. This article reviews the contributions of extrinsic and intrinsic factors that influence the reward components of food intake. A narrative review was conducted to determine the behavioral and central nervous system (CNS) related processes involved in the reward components of high-energy density food intake. The rewarding aspects of food, particularly palatable and preferred foods, are regulated by CNS circuitry. Overlaying this regulation is modulation by intrinsic endocrine systems and metabolic hormones relating to energy homeostasis, developmental stage, or gender. It is now recognized that extrinsic or environmental factors, including ambient diet composition and the provocation of stress or anxiety, also contribute substantially to the expression of food reward behaviors such as motivation for, and seeking of, preferred foods. High-energy density food intake is influenced by both physiological and pathophysiological processes. Contextual, behavioral, and psychological factors and CNS-related processes represent potential targets for multiple types of therapeutic intervention.

An Overview of High-performance Parallel Big Data transfers over multiple network channels with Transport Layer Security (TLS) and TLS plus Perfect Forward Secrecy (PFS)

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

Fang, Chin; Corttrell, R. A.

This Technical Note provides an overview of high-performance parallel Big Data transfers with and without encryption for data in-transit over multiple network channels. It shows that with the parallel approach, it is feasible to carry out high-performance parallel "encrypted" Big Data transfers without serious impact to throughput. But other impacts, e.g. the energy-consumption part should be investigated. It also explains our rationales of using a statistics-based approach for gaining understanding from test results and for improving the system. The presentation is of high-level nature. Nevertheless, at the end we will pose some questions and identify potentially fruitful directions for futuremore » work.« less

LiFi: transforming fibre into wireless

NASA Astrophysics Data System (ADS)

Yin, Liang; Islim, Mohamed Sufyan; Haas, Harald

2017-01-01

Light-fidelity (LiFi) uses energy-efficient light-emitting diodes (LEDs) for high-speed wireless communication, and it has a great potential to be integrated with fibre communication for future gigabit networks. However, by making fibre communication wireless, multiuser interference arises. Traditional methods use orthogonal multiple access (OMA) for interference avoidance. In this paper, multiuser interference is exploited with the use of non-orthogonal multiple access (NOMA) relying on successive interference cancellation (SIC). The residual interference due to imperfect SIC in practical scenarios is characterized with a proportional model. Results show that NOMA offers 5 -10 dB gain on the equivalent signal-to-interference-plus-noise ratio (SINR) over OMA. The bit error rate (BER) performance of direct current optical orthogonal frequency division multiplexing (DCO-OFDM) is shown to be significantly improved when SIC is used.

Multiple Core Galaxies

NASA Technical Reports Server (NTRS)

Miller, R.H.; Morrison, David (Technical Monitor)

1994-01-01

Nuclei of galaxies often show complicated density structures and perplexing kinematic signatures. In the past we have reported numerical experiments indicating a natural tendency for galaxies to show nuclei offset with respect to nearby isophotes and for the nucleus to have a radial velocity different from the galaxy's systemic velocity. Other experiments show normal mode oscillations in galaxies with large amplitudes. These oscillations do not damp appreciably over a Hubble time. The common thread running through all these is that galaxies often show evidence of ringing, bouncing, or sloshing around in unexpected ways, even though they have not been disturbed by any external event. Recent observational evidence shows yet another phenomenon indicating the dynamical complexity of central regions of galaxies: multiple cores (M31, Markarian 315 and 463 for example). These systems can hardly be static. We noted long-lived multiple core systems in galaxies in numerical experiments some years ago, and we have more recently followed up with a series of experiments on multiple core galaxies, starting with two cores. The relevant parameters are the energy in the orbiting clumps, their relative.masses, the (local) strength of the potential well representing the parent galaxy, and the number of cores. We have studied the dependence of the merger rates and the nature of the final merger product on these parameters. Individual cores survive much longer in stronger background potentials. Cores can survive for a substantial fraction of a Hubble time if they travel on reasonable orbits.

System ID modern control algorithms for active aerodynamic load control and impact on gearbox loading.

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

Berg, Jonathan Charles; Halse, Chris; Crowther, Ashley

2010-06-01

Prior work on active aerodynamic load control (AALC) of wind turbine blades has demonstrated that appropriate use of this technology has the potential to yield significant reductions in blade loads, leading to a decrease in wind cost of energy. While the general concept of AALC is usually discussed in the context of multiple sensors and active control devices (such as flaps) distributed over the length of the blade, most work to date has been limited to consideration of a single control device per blade with very basic Proportional Derivative controllers, due to limitations in the aeroservoelastic codes used to performmore » turbine simulations. This work utilizes a new aeroservoelastic code developed at Delft University of Technology to model the NREL/Upwind 5 MW wind turbine to investigate the relative advantage of utilizing multiple-device AALC. System identification techniques are used to identify the frequencies and shapes of turbine vibration modes, and these are used with modern control techniques to develop both Single-Input Single-Output (SISO) and Multiple-Input Multiple-Output (MIMO) LQR flap controllers. Comparison of simulation results with these controllers shows that the MIMO controller does yield some improvement over the SISO controller in fatigue load reduction, but additional improvement is possible with further refinement. In addition, a preliminary investigation shows that AALC has the potential to reduce off-axis gearbox loads, leading to reduced gearbox bearing fatigue damage and improved lifetimes.« less

Photochemical Grid Modelling Study to Assess Potential Air Quality Impacts Associated with Energy Development in Colorado and Northern New Mexico.

NASA Astrophysics Data System (ADS)

Parker, L. K.; Morris, R. E.; Zapert, J.; Cook, F.; Koo, B.; Rasmussen, D.; Jung, J.; Grant, J.; Johnson, J.; Shah, T.; Pavlovic, T.

2015-12-01

The Colorado Air Resource Management Modeling Study (CARMMS) was funded by the Bureau of Land Management (BLM) to predict the impacts from future federal and non-federal energy development in Colorado and Northern New Mexico. The study used the Comprehensive Air Quality Model with extensions (CAMx) photochemical grid model (PGM) to quantify potential impacts from energy development from BLM field office planning areas. CAMx source apportionment technology was used to track the impacts from multiple (14) different emissions source regions (i.e. field office areas) within one simulation, as well as to assess the cumulative impact of emissions from all source regions combined. The energy development emissions estimates were for the year 2021 for three different development scenarios: (1) low; (2) high; (3) high with emissions mitigation. Impacts on air quality (AQ) including ozone, PM2.5, PM10, NO2, SO2, and air quality related values (AQRVs) such as atmospheric deposition, regional haze and changes in Acid Neutralizing Capacity (ANC) of lakes were quantified, and compared to establish threshold levels. In this presentation, we present a brief summary of the how the emission scenarios were developed, we compare the emission totals for each scenario, and then focus on the ozone impacts for each scenario to assess: (1). the difference in potential ozone impacts under the different development scenarios and (2). to establish the sensitivity of the ozone impacts to different emissions levels. Region-wide ozone impacts will be presented as well as impacts at specific locations with ozone monitors.

Erosive potential of commonly used beverages, medicated syrup, and their effects on dental enamel with and without restoration: An in vitro study

PubMed Central

Trivedi, Krishna; Bhaskar, Vijay; Ganesh, Mahadevan; Venkataraghavan, Karthik; Choudhary, Prashant; Shah, Shalin; Krishnan, Ramesh

2015-01-01

Aim: This study evaluates erosive potential of commonly used beverages, medicated syrup, and their effects on dental enamel with and without restoration in vitro. Materials and Methods: Test medias used in this study included carbonated beverage, noncarbonated beverage, high-energy sports drink medicated cough syrup, distilled water as the control. A total of 110 previously extracted human premolar teeth were selected for the study. Teeth were randomly divided into two groups. Test specimens were randomly distributed to five beverages groups and comprised 12 specimens per group. Surface roughness (profilometer) readings were performed at baseline and again, following immersion for 14 days (24 h/day). Microleakage was evaluated. The results obtained were analyzed for statistical significance using SPSS-PC package using the multiple factor ANOVA at a significance level of P < 0.05. Paired t-test, Friedman test ranks, and Wilcoxon signed ranks test. Results: For surface roughness high-energy sports drink and noncarbonated beverage showed the highly significant difference with P values of 0.000 and 0.000, respectively compared to other test media. For microleakage high-energy sports drink had significant difference in comparison to noncarbonated beverage (P = 0.002), medicated syrup (P = 0.000), and distilled water (P = 0.000). Conclusion: High-energy sports drink showed highest surface roughness value and microleakage score among all test media and thus greater erosive potential to enamel while medicated syrup showed least surface roughness value and microleakage among all test media. PMID:26538901

Calculating solar photovoltaic potential on residential rooftops in Kailua Kona, Hawaii

NASA Astrophysics Data System (ADS)

Carl, Caroline

As carbon based fossil fuels become increasingly scarce, renewable energy sources are coming to the forefront of policy discussions around the globe. As a result, the State of Hawaii has implemented aggressive goals to achieve energy independence by 2030. Renewable electricity generation using solar photovoltaic technologies plays an important role in these efforts. This study utilizes geographic information systems (GIS) and Light Detection and Ranging (LiDAR) data with statistical analysis to identify how much solar photovoltaic potential exists for residential rooftops in the town of Kailua Kona on Hawaii Island. This study helps to quantify the magnitude of possible solar photovoltaic (PV) potential for Solar World SW260 monocrystalline panels on residential rooftops within the study area. Three main areas were addressed in the execution of this research: (1) modeling solar radiation, (2) estimating available rooftop area, and (3) calculating PV potential from incoming solar radiation. High resolution LiDAR data and Esri's solar modeling tools and were utilized to calculate incoming solar radiation on a sample set of digitized rooftops. Photovoltaic potential for the sample set was then calculated with the equations developed by Suri et al. (2005). Sample set rooftops were analyzed using a statistical model to identify the correlation between rooftop area and lot size. Least squares multiple linear regression analysis was performed to identify the influence of slope, elevation, rooftop area, and lot size on the modeled PV potential values. The equations built from these statistical analyses of the sample set were applied to the entire study region to calculate total rooftop area and PV potential. The total study area statistical analysis findings estimate photovoltaic electric energy generation potential for rooftops is approximately 190,000,000 kWh annually. This is approximately 17 percent of the total electricity the utility provided to the entire island in 2012. Based on these findings, full rooftop PV installations on the 4,460 study area homes could provide enough energy to power over 31,000 homes annually. The methods developed here suggest a means to calculate rooftop area and PV potential in a region with limited available data. The use of LiDAR point data offers a major opportunity for future research in both automating rooftop inventories and calculating incoming solar radiation and PV potential for homeowners.

Nuclear Potential Clustering As a New Tool to Detect Patterns in High Dimensional Datasets

NASA Astrophysics Data System (ADS)

Tonkova, V.; Paulus, D.; Neeb, H.

2013-02-01

We present a new approach for the clustering of high dimensional data without prior assumptions about the structure of the underlying distribution. The proposed algorithm is based on a concept adapted from nuclear physics. To partition the data, we model the dynamic behaviour of nucleons interacting in an N-dimensional space. An adaptive nuclear potential, comprised of a short-range attractive (strong interaction) and a long-range repulsive term (Coulomb force) is assigned to each data point. By modelling the dynamics, nucleons that are densely distributed in space fuse to build nuclei (clusters) whereas single point clusters repel each other. The formation of clusters is completed when the system reaches the state of minimal potential energy. The data are then grouped according to the particles' final effective potential energy level. The performance of the algorithm is tested with several synthetic datasets showing that the proposed method can robustly identify clusters even when complex configurations are present. Furthermore, quantitative MRI data from 43 multiple sclerosis patients were analyzed, showing a reasonable splitting into subgroups according to the individual patients' disease grade. The good performance of the algorithm on such highly correlated non-spherical datasets, which are typical for MRI derived image features, shows that Nuclear Potential Clustering is a valuable tool for automated data analysis, not only in the MRI domain.

Stochastic quasi-Newton molecular simulations

NASA Astrophysics Data System (ADS)

Chau, C. D.; Sevink, G. J. A.; Fraaije, J. G. E. M.

2010-08-01

We report a new and efficient factorized algorithm for the determination of the adaptive compound mobility matrix B in a stochastic quasi-Newton method (S-QN) that does not require additional potential evaluations. For one-dimensional and two-dimensional test systems, we previously showed that S-QN gives rise to efficient configurational space sampling with good thermodynamic consistency [C. D. Chau, G. J. A. Sevink, and J. G. E. M. Fraaije, J. Chem. Phys. 128, 244110 (2008)10.1063/1.2943313]. Potential applications of S-QN are quite ambitious, and include structure optimization, analysis of correlations and automated extraction of cooperative modes. However, the potential can only be fully exploited if the computational and memory requirements of the original algorithm are significantly reduced. In this paper, we consider a factorized mobility matrix B=JJT and focus on the nontrivial fundamentals of an efficient algorithm for updating the noise multiplier J . The new algorithm requires O(n2) multiplications per time step instead of the O(n3) multiplications in the original scheme due to Choleski decomposition. In a recursive form, the update scheme circumvents matrix storage and enables limited-memory implementation, in the spirit of the well-known limited-memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) method, allowing for a further reduction of the computational effort to O(n) . We analyze in detail the performance of the factorized (FSU) and limited-memory (L-FSU) algorithms in terms of convergence and (multiscale) sampling, for an elementary but relevant system that involves multiple time and length scales. Finally, we use this analysis to formulate conditions for the simulation of the complex high-dimensional potential energy landscapes of interest.

A metal-organic cage incorporating multiple light harvesting and catalytic centres for photochemical hydrogen production

NASA Astrophysics Data System (ADS)

Chen, Sha; Li, Kang; Zhao, Fang; Zhang, Lei; Pan, Mei; Fan, Yan-Zhong; Guo, Jing; Shi, Jianying; Su, Cheng-Yong

2016-11-01

Photocatalytic water splitting is a natural but challenging chemical way of harnessing renewable solar power to generate clean hydrogen energy. Here we report a potential hydrogen-evolving photochemical molecular device based on a self-assembled ruthenium-palladium heterometallic coordination cage, incorporating multiple photo- and catalytic metal centres. The photophysical properties are investigated by absorption/emission spectroscopy, electrochemical measurements and preliminary DFT calculations and the stepwise electron transfer processes from ruthenium-photocentres to catalytic palladium-centres is probed by ultrafast transient absorption spectroscopy. The photocatalytic hydrogen production assessments reveal an initial reaction rate of 380 μmol h-1 and a turnover number of 635 after 48 h. The efficient hydrogen production may derive from the directional electron transfers through multiple channels owing to proper organization of the photo- and catalytic multi-units within the octahedral cage, which may open a new door to design photochemical molecular devices with well-organized metallosupramolecules for homogenous photocatalytic applications.

Origin of multiple band gap values in single width nanoribbons

PubMed Central

Goyal, Deepika; Kumar, Shailesh; Shukla, Alok; Kumar, Rakesh

2016-01-01

Deterministic band gap in quasi-one-dimensional nanoribbons is prerequisite for their integrated functionalities in high performance molecular-electronics based devices. However, multiple band gaps commonly observed in graphene nanoribbons of the same width, fabricated in same slot of experiments, remain unresolved, and raise a critical concern over scalable production of pristine and/or hetero-structure nanoribbons with deterministic properties and functionalities for plethora of applications. Here, we show that a modification in the depth of potential wells in the periodic direction of a supercell on relative shifting of passivating atoms at the edges is the origin of multiple band gap values in nanoribbons of the same width in a crystallographic orientation, although they carry practically the same ground state energy. The results are similar when calculations are extended from planar graphene to buckled silicene nanoribbons. Thus, the findings facilitate tuning of the electronic properties of quasi-one-dimensional materials such as bio-molecular chains, organic and inorganic nanoribbons by performing edge engineering. PMID:27808172

Quasi-elastic nuclear scattering at high energies

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Wilson, John W.

1992-01-01

The quasi-elastic scattering of two nuclei is considered in the high-energy optical model. Energy loss and momentum transfer spectra for projectile ions are evaluated in terms of an inelastic multiple-scattering series corresponding to multiple knockout of target nucleons. The leading-order correction to the coherent projectile approximation is evaluated. Calculations are compared with experiments.

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy

PubMed Central

Snow, Christopher D.; Qiu, Linlin; Du, Deguo; Gai, Feng; Hagen, Stephen J.; Pande, Vijay S.

2004-01-01

We studied the microsecond folding dynamics of three β hairpins (Trp zippers 1–3, TZ1–TZ3) by using temperature-jump fluorescence and atomistic molecular dynamics in implicit solvent. In addition, we studied TZ2 by using time-resolved IR spectroscopy. By using distributed computing, we obtained an aggregate simulation time of 22 ms. The simulations included 150, 212, and 48 folding events at room temperature for TZ1, TZ2, and TZ3, respectively. The all-atom optimized potentials for liquid simulations (OPLSaa) potential set predicted TZ1 and TZ2 properties well; the estimated folding rates agreed with the experimentally determined folding rates and native conformations were the global potential-energy minimum. The simulations also predicted reasonable unfolding activation enthalpies. This work, directly comparing large simulated folding ensembles with multiple spectroscopic probes, revealed both the surprising predictive ability of current models as well as their shortcomings. Specifically, for TZ1–TZ3, OPLS for united atom models had a nonnative free-energy minimum, and the folding rate for OPLSaa TZ3 was sensitive to the initial conformation. Finally, we characterized the transition state; all TZs fold by means of similar, native-like transition-state conformations. PMID:15020773

Trp zipper folding kinetics by molecular dynamics and temperature-jump spectroscopy

NASA Astrophysics Data System (ADS)

Snow, Christopher D.; Qiu, Linlin; Du, Deguo; Gai, Feng; Hagen, Stephen J.; Pande, Vijay S.

2004-03-01

We studied the microsecond folding dynamics of three hairpins (Trp zippers 1-3, TZ1-TZ3) by using temperature-jump fluorescence and atomistic molecular dynamics in implicit solvent. In addition, we studied TZ2 by using time-resolved IR spectroscopy. By using distributed computing, we obtained an aggregate simulation time of 22 ms. The simulations included 150, 212, and 48 folding events at room temperature for TZ1, TZ2, and TZ3, respectively. The all-atom optimized potentials for liquid simulations (OPLSaa) potential set predicted TZ1 and TZ2 properties well; the estimated folding rates agreed with the experimentally determined folding rates and native conformations were the global potential-energy minimum. The simulations also predicted reasonable unfolding activation enthalpies. This work, directly comparing large simulated folding ensembles with multiple spectroscopic probes, revealed both the surprising predictive ability of current models as well as their shortcomings. Specifically, for TZ1-TZ3, OPLS for united atom models had a nonnative free-energy minimum, and the folding rate for OPLSaa TZ3 was sensitive to the initial conformation. Finally, we characterized the transition state; all TZs fold by means of similar, native-like transition-state conformations.

Centrality and energy dependence of charged-particle multiplicities in heavy ion collisions in the context of elementary reactions

NASA Astrophysics Data System (ADS)

Back, B. B.; Baker, M. D.; Barton, D. S.; Betts, R. R.; Ballintijn, M.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Decowski, M. P.; García, E.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Lin, W. T.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Skulski, W.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tang, J.-L.; Teng, R.; Trzupek, A.; Vale, C.; Nieuwenhuizen, G. J. Van; Verdier, R.; Veres, G. I.; Wadsworth, B.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

2006-08-01

The PHOBOS experiment at the BNL Relativistic Heavy Ion Collider has measured the total multiplicity of primary charged particles as a function of collision centrality in Au+Au collisions at sNN= 19.6, 130, and 200 GeV. An approximate independence of / on the number of participating nucleons is observed, reminiscent of “wounded nucleon” scaling (Nch∝Npart) observed in proton-nucleus collisions. Unlike p+A, the constant of proportionality does not seem to be set by the pp/p¯p data at the same energy. Rather, there seems to be a surprising correspondence with the total multiplicity measured in e+e- annihilations, as well as the rapidity shape measured over a large range. The energy dependence of the integrated multiplicity per participant pair shows that e+e- and A+A data agree over a large range of center-of-mass energies (s>20 GeV), and pp/p¯p data can be brought to agree approximately with the e+e- data by correcting for the typical energy taken away by leading particles. This is suggestive of a mechanism for soft particle production that depends mainly on the amount of available energy. It is conjectured that the dominant distinction between A+A and p+p collisions is the multiple collisions per participant, which appears to be sufficient to substantially reduce the energy taken away by leading particles.

Inclusive photon production at forward rapidities in proton–proton collisions at $$\\mathbf {\\sqrt{s}}$$ = 0.9, 2.76 and 7 TeV

DOE PAGES

Abelev, B.; Adam, J.; Adamová, D.; ...

2015-04-09

The multiplicity and pseudorapidity distributions of inclusive photons have been measured at forward rapidities (2.3 < η < 3.9) in proton–proton collisions at three center-of-mass energies, √s = 0.9, 2.76 and 7 TeV using the ALICE detector. It is observed that the increase in the average photon multiplicity as a function of beam energy is compatible with both a logarithmic and a power-law dependence. The relative increase in average photon multiplicity produced in inelastic pp collisions at 2.76 and 7 TeV center-of-mass energies with respect to 0.9 TeV are 37.2 ± 0.3 % (stat) ± 8.8 % (sys) and 61.2more » ± 0.3 % (stat) ± 7.6 % (sys), respectively. The photon multiplicity distributions for all center-of-mass energies are well described by negative binomial distributions. The multiplicity distributions are also presented in terms of KNO variables. The results are compared to model predictions, which are found in general to underestimate the data at large photon multiplicities, in particular at the highest center-of-mass energy. As a result, limiting fragmentation behavior of photons has been explored with the data, but is not observed in the measured pseudorapidity range.« less

Measurement of the energy and multiplicity distributions of neutrons from the photofission of U 235

DOE PAGES

Clarke, S. D.; Wieger, B. M.; Enqvist, A.; ...

2017-06-20

For the first time, the complete neutron multiplicity distribution has been measured in this study from the photofission of 235U induced by high-energy spallation γ rays arriving ahead of the neutron beam at the Los Alamos Neutron Science Center. The resulting average neutron multiplicity 3.80 ± 0.08 (stat.) neutrons per photofission is in general agreement with previous measurements. In addition, unique measurements of the prompt fission energy spectrum of the neutrons from photofission and the angular correlation of two-neutron energies emitted in photofission also were made. Finally, the results are compared to calculations with the complete event fission model FREYA.

Accelerated Enveloping Distribution Sampling: Enabling Sampling of Multiple End States while Preserving Local Energy Minima.

PubMed

Perthold, Jan Walther; Oostenbrink, Chris

2018-05-17

Enveloping distribution sampling (EDS) is an efficient approach to calculate multiple free-energy differences from a single molecular dynamics (MD) simulation. However, the construction of an appropriate reference-state Hamiltonian that samples all states efficiently is not straightforward. We propose a novel approach for the construction of the EDS reference-state Hamiltonian, related to a previously described procedure to smoothen energy landscapes. In contrast to previously suggested EDS approaches, our reference-state Hamiltonian preserves local energy minima of the combined end-states. Moreover, we propose an intuitive, robust and efficient parameter optimization scheme to tune EDS Hamiltonian parameters. We demonstrate the proposed method with established and novel test systems and conclude that our approach allows for the automated calculation of multiple free-energy differences from a single simulation. Accelerated EDS promises to be a robust and user-friendly method to compute free-energy differences based on solid statistical mechanics.

A taxonomic framework for assessing governance challenges and environmental effects of integrated food-energy systems.

PubMed

Gerst, Michael D; Cox, Michael E; Locke, Kim A; Laser, Mark; Kapuscinski, Anne R

2015-01-20

Predominant forms of food and energy systems pose multiple challenges to the environment as current configurations tend to be structured around centralized one-way through-put of materials and energy. In addition, these configurations can introduce vulnerability to input material price and supply shocks as well as contribute to localized food insecurity and lost opportunities for less environmentally harmful forms of local economic development. One proposed form of system transformation involves locally integrating “unclosed” material and energy loops from food and energy systems. Such systems, which have been termed integrated food-energy systems (IFES), have existed in diverse niche forms but have not been systematically studied with respect to technological, governance, and environmental differences. As a first step in this process, we have constructed a taxonomy of IFES archetypes by using exploratory data analysis on a collection of IFES cases. We find that IFES may be classified hierarchically first by their primary purpose—food or energy production—and subsequently by degree and direction of vertical supply chain coordination. We then use this taxonomy to delineate potential governance challenges and pose a research agenda aimed at understanding what role IFES may play in food and energy system transformation and ultimately what policies may encourage IFES adoption.

Public views on multiple dimensions of security : nuclear waepons, terrorism, energy, and the environment : 2007.

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

Herron, Kerry Gale; Jenkins-Smith, Hank C.

2008-01-01

We analyze and compare findings from identical national surveys of the US general public on nuclear security and terrorism administered by telephone and Internet in mid-2007. Key areas of investigation include assessments of threats to US security; valuations of US nuclear weapons and nuclear deterrence; perspectives on nuclear proliferation, including the specific cases of North Korea and Iran; and support for investments in nuclear weapons capabilities. Our analysis of public views on terrorism include assessments of the current threat, progress in the struggle against terrorism, preferences for responding to terrorist attacks at different levels of assumed casualties, and support formore » domestic policies intended to reduce the threat of terrorism. Also we report findings from an Internet survey conducted in mid 2007 that investigates public views of US energy security, to include: energy supplies and reliability; energy vulnerabilities and threats, and relationships among security, costs, energy dependence, alternative sources, and research and investment priorities. We analyze public assessments of nuclear energy risks and benefits, nuclear materials management issues, and preferences for the future of nuclear energy in the US. Additionally, we investigate environmental issues as they relate to energy security, to include expected implications of global climate change, and relationships among environmental issues and potential policy options.« less

Energy, water and large-scale patterns of reptile and amphibian species richness in Europe

NASA Astrophysics Data System (ADS)

Rodríguez, Miguel Á.; Belmontes, Juan Alfonso; Hawkins, Bradford A.

2005-07-01

We used regression analyses to examine the relationships between reptile and amphibian species richness in Europe and 11 environmental variables related to five hypotheses for geographical patterns of species richness: (1) productivity; (2) ambient energy; (3) water-energy balance, (4) habitat heterogeneity; and (5) climatic variability. For reptiles, annual potential evapotranspiration (PET), a measure of the amount of atmospheric energy, explained 71% of the variance, with variability in log elevation explaining an additional 6%. For amphibians, annual actual evapotranspiration (AET), a measure of the joint availability of energy and water in the environment, and the global vegetation index, an estimate of plant biomass generated through satellite remote sensing, both described similar proportions of the variance (61% and 60%, respectively) and had partially independent effects on richness as indicated by multiple regression. The two-factor environmental models successfully removed most of the statistically detectable spatial autocorrelation in the richness data of both groups. Our results are consistent with reptile and amphibian environmental requirements, where the former depend strongly on solar energy and the latter require both warmth and moisture for reproduction. We conclude that ambient energy explains the reptile richness pattern, whereas for amphibians a combination of water-energy balance and productivity best explain the pattern.

Energy cane as a multiple-products alternative

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

Alexander, A.G.

1984-01-01

CANE SUGAR planting as it was formerly known is in serious and essentially irreversible trouble. Diversification of sugarcane to alternative farm crops is indicated in some instances. Yet, for the most part, the more logical alternative is an internal diversification to a multiple-products biomass commodity. Sometimes termed the energy cane approach, its keystones are the management of sugarcane as a quantitative rather than qualitative entity, and the inclusion of certain tropical-grass relatives to assist cane in its year-round supply of biomass to industrial consumers. Managed in this way, absolute tonnages of whole cane are increased materially beyond what is possiblemore » from sugar-crop management. Juice quality declines but sugar yields are significant as a function of high biomass tonnages per acre. Usage of the lignocellulose can range from low-quality humid boiler fuel in furnaces designed for refuse incineration, to higher-quality fuels in more efficient boilers, to proprietary fuels and chemical products, and to lignocellulose supply as the feedstock for primary chemicals production. The latter might include, for example, synthesis gas and petrochemicals in tropical regions lacking natural gas, naphtha, or coal as starting materials. Diversification of sugarcane to completely new farm commodities is opposed in favor of internal diversification to a high-growth, multiple-products commodity. Decisive issues here are as much educational as they are technical. The energy cane concept maintains that sugarcane is a future resource of enormous national and international value. It should develop accordingly where decision-taking is by persons who respect the cane plant and who have done their homework on its alternative-use potentials. 35 references, 5 figures, 6 tables.« less

PIC codes for plasma accelerators on emerging computer architectures (GPUS, Multicore/Manycore CPUS)

NASA Astrophysics Data System (ADS)

Vincenti, Henri

2016-03-01

The advent of exascale computers will enable 3D simulations of a new laser-plasma interaction regimes that were previously out of reach of current Petasale computers. However, the paradigm used to write current PIC codes will have to change in order to fully exploit the potentialities of these new computing architectures. Indeed, achieving Exascale computing facilities in the next decade will be a great challenge in terms of energy consumption and will imply hardware developments directly impacting our way of implementing PIC codes. As data movement (from die to network) is by far the most energy consuming part of an algorithm future computers will tend to increase memory locality at the hardware level and reduce energy consumption related to data movement by using more and more cores on each compute nodes (''fat nodes'') that will have a reduced clock speed to allow for efficient cooling. To compensate for frequency decrease, CPU machine vendors are making use of long SIMD instruction registers that are able to process multiple data with one arithmetic operator in one clock cycle. SIMD register length is expected to double every four years. GPU's also have a reduced clock speed per core and can process Multiple Instructions on Multiple Datas (MIMD). At the software level Particle-In-Cell (PIC) codes will thus have to achieve both good memory locality and vectorization (for Multicore/Manycore CPU) to fully take advantage of these upcoming architectures. In this talk, we present the portable solutions we implemented in our high performance skeleton PIC code PICSAR to both achieve good memory locality and cache reuse as well as good vectorization on SIMD architectures. We also present the portable solutions used to parallelize the Pseudo-sepctral quasi-cylindrical code FBPIC on GPUs using the Numba python compiler.

The roles of melanin-concentrating hormone in energy balance and reproductive function: Are they connected?

PubMed

Naufahu, Jane; Cunliffe, Adam D; Murray, Joanne F

2013-01-01

Melanin-concentrating hormone (MCH) is an anabolic neuropeptide with multiple and diverse physiological functions including a key role in energy homoeostasis. Rodent studies have shown that the ablation of functional MCH results in a lean phenotype, increased energy expenditure and resistance to diet-induced obesity. These findings have generated interest among pharmaceutical companies vigilant for potential anti-obesity agents. Nutritional status affects reproductive physiology and behaviours, thereby optimising reproductive success and the ability to meet energetic demands. This complex control system entails the integration of direct or indirect peripheral stimuli with central effector systems and involves numerous mediators. A role for MCH in the reproductive axis has emerged, giving rise to the premise that MCH may serve as an integratory mediator between those discrete systems that regulate energy balance and reproductive function. Hence, this review focuses on published evidence concerning i) the role of MCH in energy homoeostasis and ii) the regulatory role of MCH in the reproductive axis. The question as to whether the MCH system mediates the integration of energy homoeostasis with the neuroendocrine reproductive axis and, if so, by what means has received limited coverage in the literature; evidence to date and current theories are summarised herein.

Energy dependence of the prompt γ -ray emission from the ( d , p ) -induced fission of U * 234 and Pu * 240

DOE PAGES

Rose, Sunniva J.; Zeiser, Fabio; Wilson, J. N.; ...

2017-07-05

Prompt-fission γ rays are responsible for approximately 5% of the total energy released in fission, and therefore important to understand when modeling nuclear reactors. In this work we present prompt γ-ray emission characteristics in fission as a function of the nuclear excitation energy of the fissioning system. Emitted γ-ray spectra were measured, and γ-ray multiplicities and average and total γ energies per fission were determined for the 233U(d,pf) reaction for excitation energies between 4.8 and 10 MeV, and for the 239Pu(d,pf) reaction between 4.5 and 9 MeV. The spectral characteristics show no significant change as a function of excitation energymore » above the fission barrier, despite the fact that an extra ~5 MeV of energy is potentially available in the excited fragments for γ decay. The measured results are compared with model calculations made for prompt γ-ray emission with the fission model code gef. In conclusion, further comparison with previously obtained results from thermal neutron induced fission is made to characterize possible differences arising from using the surrogate (d,p) reaction.« less

On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions.

PubMed

Peters, John W; Beratan, David N; Schut, Gerrit J; Adams, Michael W W

2018-04-19

Bifurcating electrons to couple endergonic and exergonic electron-transfer reactions has been shown to have a key role in energy conserving redox enzymes. Bifurcating enzymes require a redox center that is capable of directing electron transport along two spatially separate pathways. Research into the nature of electron bifurcating sites indicates that one of the keys is the formation of a low potential oxidation state to satisfy the energetics required of the endergonic half reaction, indicating that any redox center (organic or inorganic) that can exist in multiple oxidation states with sufficiently separated redox potentials should be capable of electron bifurcation. In this Feature Article, we explore a paradigm for bifurcating electrons down independent high and low potential pathways, and describe redox cofactors that have been demonstrated or implicated in driving this unique biochemistry.

Potential Mechanisms of Cancer Prevention by Weight Control

NASA Astrophysics Data System (ADS)

Jiang, Yu; Wang, Weiqun

Weight control via dietary caloric restriction and/or physical activity has been demonstrated in animal models for cancer prevention. However, the underlying mechanisms are not fully understood. Body weight loss due to negative energy balance significantly reduces some metabolic growth factors and endocrinal hormones such as IGF-1, leptin, and adiponectin, but enhances glucocorticoids, that may be associated with anti-cancer mechanisms. In this review, we summarized the recent studies related to weight control and growth factors. The potential molecular targets focused on those growth factors- and hormones-dependent cellular signaling pathways are further discussed. It appears that multiple factors and multiple signaling cascades, especially for Ras-MAPK-proliferation and PI3K-Akt-anti-apoptosis, could be involved in response to weight change by dietary calorie restriction and/or exercise training. Considering prevalence of obesity or overweight that becomes apparent over the world, understanding the underlying mechanisms among weight control, endocrine change and cancer risk is critically important. Future studies using "-omics" technologies will be warrant for a broader and deeper mechanistic information regarding cancer prevention by weight control.

Austro-Hungarian Public Building Refurbishment and Energy Efficiency Measures - A Case Study on a Public Building in Sarajevo

NASA Astrophysics Data System (ADS)

Salihbegović, Amira; Čaušević, Amir; Rustempašić, Nerman; Avdić, Dženis; Smajlović, Esad

2017-10-01

Among other pieces of architectural historical heritage in Sarajevo, and Bosnia-Herzegovina in general, the Austro-Hungarian architecture has preserved its original architectural, artistic and engineering characteristics. Both residential and public representative urban blocks, streets and squares are of distinguishable ambience in the architectural and urban image of the city and are testifying about our architectural past. A number of buildings is valorised and protected by law in terms of their architectural, artistic and historical value. In addition, these buildings have a distinct functional, ambiental, historical, and even aesthetical value. To make them last longer, refurbishment of these buildings is challenging and presents potential and multiple benefits for the city, and beyond. Refurbishing built environment through functional reorganizing, redesign and energy efficiency measures applications could result in prolonged longevity, architectural identity preservation and interior comfort improvement. Besides, implemented measures for energy efficiency, through the refurbishment process, should optimize the needs for energy consumption in treated buildings. This paper defines options in comfort improvements and redesign, without implying risks to the building longevity, analyses interventions and energy efficiency measures which would enable potential energy saving assessment in the refurbishment process of masonry buildings. This paper also discusses the different techniques that can be adopted for conservation and preservation of historical masonry buildings from the Austro-Hungarian period dealing with energy efficiency. The works were preceded by historical research and on-site investigations. This paper describes a methodology to quantify their vulnerability. A scheme of structural retrofitting is suggested following the research conducted. Revitalization of the building consisted in the reconstruction of the old building structure, creating the inner courtyard and covering it with a glass roof.

Global impacts of U.S. bioenergy production and policy: A general equilibrium perspective

NASA Astrophysics Data System (ADS)

Evans, Samuel Garner

The conversion of biomass to energy represents a promising pathway forward in efforts to reduce fossil fuel use in the transportation and electricity sectors. In addition to potential benefits, such as greenhouse gas reductions and increased energy security, bioenergy production also presents a unique set of challenges. These challenges include tradeoffs between food and fuel production, distortions in energy markets, and terrestrial emissions associated with changing land-use patterns. Each of these challenges arises from market-mediated responses to bioenergy production, and are therefore largely economic in nature. This dissertation directly addresses these opportunities and challenges by evaluating the economic impacts of U.S. bioenergy production and policy, focusing on both existing and future biomass-to-energy pathways. The analysis approaches the issue from a global, economy-wide perspective, reflecting two important facts. First, that large-scale bioenergy production connects multiple sectors of the economy due to the use of agricultural land resources for biomass production, and competition with fossil fuels in energy markets. Second, markets for both agricultural and energy commodities are highly integrated globally, causing domestic policies to have international effects. The reader can think of this work as being comprised of three parts. Part I provides context through an extensive review of the literature on the market-mediated effects of conventional biofuel production (Chapter 2) and develops a general equilibrium modeling framework for assessing the extent to which these phenomenon present a challenge for future bioenergy pathways (Chapter 3). Part II (Chapter 4) explores the economic impacts of the lignocellulosic biofuel production targets set in the U.S. Renewable Fuel Standard on global agricultural and energy commodity markets. Part III (Chapter 5) extends the analysis to consider potential inefficiencies associated with policy-induced competition for biomass between the electricity and transportation fuel sectors.

An assessment of climate change impacts on micro-hydropower energy recovery in water supply networks

NASA Astrophysics Data System (ADS)

Brady, Jennifer; Patil, Sopan; McNabola, Aonghus; Gallagher, John; Coughlan, Paul; Harris, Ian; Packwood, Andrew; Williams, Prysor

2015-04-01

Continuity of service of a high quality water supply is vital in sustaining economic and social development. However, water supply and wastewater treatment are highly energy intensive processes and the overall cost of water provision is rising rapidly due to increased energy costs, higher capital investment requirements, and more stringent regulatory compliance in terms of both national and EU legislation. Under the EU Directive 2009/28/EC, both Ireland and the UK are required to have 16% and 15% respectively of their electricity generated by renewable sources by 2020. The projected impacts of climate change, population growth and urbanisation will place additional pressures on resources, further increasing future water demand which in turn will lead to higher energy consumption. Therefore, there is a need to achieve greater efficiencies across the water industry. The implementation of micro-hydropower turbines within the water supply network has shown considerable viability for energy recovery. This is achieved by harnessing energy at points of high flow or pressure along the network which can then be utilised on site or alternatively sold to the national grid. Micro-hydropower can provide greater energy security for utilities together with a reduction in greenhouse gas emissions. However, potential climate change impacts on water resources in the medium-to-long term currently act as a key barrier to industry confidence as changes in flow and pressure within the network can significantly alter the available energy for recovery. The present study aims to address these uncertainties and quantify the regional and local impacts of climate change on the viability of energy recovery across water infrastructure in Ireland and the UK. Specifically, the research focuses on assessing the potential future effects of climate change on flow rates at multiple pressure reducing valve sites along the water supply network and also in terms of flow at a number of wastewater treatment works. This analysis is achieved through development of an empirical model utilising historical climatic data in conjunction with low, medium and high emission IPCC climate scenarios using the HADCM3 global climate model across a baseline condition and two further time steps. Results highlight projected alterations in flow rates together with the potential for increases in the frequency and persistence of drought/flooding events and the resulting impacts on future energy recovery. Critical climate change limits are also identified indicating the tolerable ranges within which hydropower recovery is financially viable, thus allowing for more informed decision making across potential sites.

Study of a wireless power transmission system for an active capsule endoscope.

PubMed

Xin, Wenhui; Yan, Guozheng; Wang, Wenxin

2010-03-01

An active capsule endoscope (ACE) will consume much more energy than can be power by batteries. Its orientation and position are always undetermined when it continues the natural way down the gastrointestinal track. In order to deliver stable and sufficient energy to ACE safely, a wireless power transmission system based on inductive coupling is presented. The system consists of a Helmholtz primary coil outside and a multiple secondary coils inside the body. The Helmholtz primary coil is driven to generate a uniform alternating magnetic field covering the whole of the alimentary tract, and the multiple secondary coils receive energy regardless of the ACE's position and orientation relative to the generated magnetic field. The human tissue safety of the electromagnetic field generated by transmitting coil was evaluated, based on a high-resolution realistic human model. At least 310 mW usable power can be transmitted under the worst geometrical conditions. Outer dimensions of the power receiver, 10 mm diameter x 12 mm; transmitting power, 25 W; resonant frequency, 400 kHz. The maximum specific absorption rate (SAR) and current density of human tissues are 0.329 W/kg and 3.82 A/m(2), respectively, under the basic restrictions of the International Commission on Non-ionizing Radiation Protection (ICNIRP). The designed wireless power transmission is shown to be feasible and potentially safe in a future application. (c) 2010 John Wiley & Sons, Ltd.

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

NASA Astrophysics Data System (ADS)

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

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

Final Report Feasibility Study for the California Wave Energy Test Center (CalWavesm)

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

Blakeslee, Samuel Norman; Toman, William I.; Williams, Richard B.

The California Wave Energy Test Center (CalWave) Feasibility Study project was funded over multiple phases by the Department of Energy to perform an interdisciplinary feasibility assessment to analyze the engineering, permitting, and stakeholder requirements to establish an open water, fully energetic, grid connected, wave energy test center off the coast of California for the purposes of advancing U.S. wave energy research, development, and testing capabilities. Work under this grant included wave energy resource characterization, grid impact and interconnection requirements, port infrastructure and maritime industry capability/suitability to accommodate the industry at research, demonstration and commercial scale, and macro and micro sitingmore » considerations. CalWave Phase I performed a macro-siting and down-selection process focusing on two potential test sites in California: Humboldt Bay and Vandenberg Air Force Base. This work resulted in the Vandenberg Air Force Base site being chosen as the most favorable site based on a peer reviewed criteria matrix. CalWave Phase II focused on four siting location alternatives along the Vandenberg Air Force Base coastline and culminated with a final siting down-selection. Key outcomes from this work include completion of preliminary engineering and systems integration work, a robust turnkey cost estimate, shoreside and subsea hazards assessment, storm wave analysis, lessons learned reports from several maritime disciplines, test center benchmarking as compared to existing international test sites, analysis of existing applicable environmental literature, the completion of a preliminary regulatory, permitting and licensing roadmap, robust interaction and engagement with state and federal regulatory agency personnel and local stakeholders, and the population of a Draft Federal Energy Regulatory Commission (FERC) Preliminary Application Document (PAD). Analysis of existing offshore oil and gas infrastructure was also performed to assess the potential value and re-use scenarios of offshore platform infrastructure and associated subsea power cables and shoreside substations. The CalWave project team was well balanced and was comprised of experts from industry, academia, state and federal regulatory agencies. The result of the CalWave feasibility study finds that the CalWave Test Center has the potential to provide the most viable path to commercialization for wave energy in the United States.« less

Inflammation, Iron, Energy Failure, and Oxidative Stress in the Pathogenesis of Multiple Sclerosis

PubMed Central

Haider, Lukas

2015-01-01

Multiple sclerosis is a chronic inflammatory demyelinating disease of the central nervous system. Different trigger pathologies have been suggested by the primary cytodegenerative “inside-out” and primary inflammation-driven “outside-in” hypotheses. Recent data indicate that mitochondrial injury and subsequent energy failure are key factors in the induction of demyelination and neurodegeneration. The brain weighs only a few percent of the body mass but accounts for approximately 20% of the total basal oxygen consumption of mitochondria. Oxidative stress induces mitochondrial injury in patients with multiple sclerosis and energy failure in the central nervous system of susceptible individuals. The interconnected mechanisms responsible for free radical production in patients with multiple sclerosis are as follows: (i) inflammation-induced production of free radicals by activated immune cells, (ii) liberation of iron from the myelin sheets during demyelination, and (iii) mitochondrial injury and thus energy failure-related free radical production. In the present review, the different sources of oxidative stress and their relationships to patients with multiple sclerosis considering tissue injury mechanisms and clinical aspects have been discussed. PMID:26106458

High-energy multiple muons and heavy primary cosmic-rays

NASA Technical Reports Server (NTRS)

Mizutani, K.; Sato, T.; Takahashi, T.; Higashi, S.

1985-01-01

Three-dimensional simulations were carried out on high-energy multiple muons. On the lateral spread, the comparison with the deep underground observations indicates that the primary cosmic rays include heavy nuclei of high content. A method to determine the average mass number of primary particles in the energy around 10 to the 15th power eV is suggested.

Quantum molecular dynamics and multistep-direct analyses of multiple preequilibrium emission

NASA Astrophysics Data System (ADS)

Chadwick, M. B.; Chiba, S.; Niita, K.; Maruyama, T.; Iwamoto, A.

1995-11-01

We study multiple preequilibrium emission in nucleon induced reactions at intermediate energies, and compare quantum molecular dynamics (QMD) calculations with multistep-direct Feshbach-Kerman-Koonin results [M. B. Chadwick, P. G. Young, D. C. George, and Y. Watanabe, Phys. Rev. C 50, 996 (1994)]. When the theoretical expressions of this reference are reformulated so that the definitions of primary and multiple emission correspond to those used in QMD, the two theories yield similar results for primary and multiple preequilibrium emission. We use QMD as a tool to determine the multiplicities of fast preequilibrium nucleons as a function of incident energy. For fast particle cross sections to exceed 5% of the inclusive preequilibrium emission cross sections we find that two particles should be included in reactions above 50 MeV, three above about 180 MeV, and four are only needed when the incident energy exceeds about 400 MeV.

Charged-particle multiplicity and pseudorapidity distributions measured with the PHOBOS detector in Au+Au, Cu+Cu, d+Au, and p+p collisions at ultrarelativistic energies

NASA Astrophysics Data System (ADS)

Alver, B.; Back, B. B.; Baker, M. D.; Ballintijn, M.; Barton, D. S.; Betts, R. R.; Bickley, A. A.; Bindel, R.; Budzanowski, A.; Busza, W.; Carroll, A.; Chai, Z.; Chetluru, V.; Decowski, M. P.; García, E.; Gburek, T.; George, N.; Gulbrandsen, K.; Gushue, S.; Halliwell, C.; Hamblen, J.; Heintzelman, G. A.; Henderson, C.; Hofman, D. J.; Hollis, R. S.; Hołyński, R.; Holzman, B.; Iordanova, A.; Johnson, E.; Kane, J. L.; Katzy, J.; Khan, N.; Kotuła, J.; Kucewicz, W.; Kulinich, P.; Kuo, C. M.; Li, W.; Lin, W. T.; Loizides, C.; Manly, S.; McLeod, D.; Michałowski, J.; Mignerey, A. C.; Nouicer, R.; Olszewski, A.; Pak, R.; Park, I. C.; Pernegger, H.; Reed, C.; Remsberg, L. P.; Reuter, M.; Roland, C.; Roland, G.; Rosenberg, L.; Sagerer, J.; Sarin, P.; Sawicki, P.; Sedykh, I.; Skulski, W.; Smith, C. E.; Steadman, S. G.; Steinberg, P.; Stephans, G. S. F.; Stodulski, M.; Sukhanov, A.; Tonjes, M. B.; Trzupek, A.; Vale, C.; van Nieuwenhuizen, G. J.; Vaurynovich, S. S.; Verdier, R.; Veres, G. I.; Wadsworth, B.; Walters, P.; Wenger, E.; Wolfs, F. L. H.; Wosiek, B.; Woźniak, K.; Wuosmaa, A. H.; Wysłouch, B.

2011-02-01

Pseudorapidity distributions of charged particles emitted in Au+Au, Cu+Cu, d+Au, and p+p collisions over a wide energy range have been measured using the PHOBOS detector at the BNL Relativistic Heavy-Ion Collider (RHIC). The centrality dependence of both the charged particle distributions and the multiplicity at midrapidity were measured. Pseudorapidity distributions of charged particles emitted with |η|<5.4, which account for between 95% and 99% of the total charged-particle emission associated with collision participants, are presented for different collision centralities. Both the midrapidity density dNch/dη and the total charged-particle multiplicity Nch are found to factorize into a product of independent functions of collision energy, sNN, and centrality given in terms of the number of nucleons participating in the collision, Npart. The total charged particle multiplicity, observed in these experiments and those at lower energies, assumes a linear dependence of (lnsNN)2 over the full range of collision energy of sNN=2.7-200 GeV.

Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

PubMed

Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

2017-01-17

The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than being a function of the spin-up and spin-down densities. In work carried out so far, the multiconfigurational wave function is a multiconfiguration self-consistent-field wave function. The new formulation has the advantage that the reference wave function has the correct spatial and spin symmetry and can describe bond dissociation (of both single and multiple bonds) and electronic excitations in a formally and physically correct way. We then review the formulation of density functionals in terms of the on-top pair density. Finally we review successful applications of the theory to bond energies and bond dissociation potential energy curves of main-group and transition metal bonds, to barrier heights (including pericyclic reactions), to proton affinities, to the hydrogen bond energy of water dimer, to ground- and excited-state charge transfer, to valence and Rydberg excitations of molecules, and to singlet-triplet splittings of radicals. We find that that MC-PDFT can give accurate results not only with complete-active-space multiconfiguration wave functions but also with generalized-active-space multiconfiguration wave functions, which are practical for larger numbers of active electrons and active orbitals than are complete-active-space wave functions. The separated-pair approximation, which is a special case of generalized active space self-consistent-field theory, is especially promising. MC-PDFT, because it requires much less computer time and storage than pure WFT methods, has the potential to open larger and more complex strongly correlated systems to accurate simulation.

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

Lopez, Anthony; Maclaurin, Galen; Roberts, Billy

Long-term variability of solar resource is an important factor in planning a utility-scale photovoltaic (PV) generation plant, and annual generation for a given location can vary significantly from year to year. Based on multiple years of solar irradiance data, an exceedance probability is the amount of energy that could potentially be produced by a power plant in any given year. An exceedance probability accounts for long-term variability and climate cycles (e.g., monsoons or changes in aerosols), which ultimately impact PV energy generation. Study results indicate that a significant bias could be associated with relying solely on typical meteorological year (TMY)more » resource data to capture long-term variability. While the TMY tends to under-predict annual generation overall compared to the P50, there appear to be pockets of over-prediction as well.« less

Index of refraction of GaAs-Al(x)Ga(1-x)As superlattices and multiple quantum wells

NASA Technical Reports Server (NTRS)

Kahen, K. B.; Leburton, J. P.

1987-01-01

A theoretical study of the index of refraction of superlattices and its variation as a function of frequency and the superlattice parameters, i.e., layer width and AlAs composition, is presented. Gamma-region exciton and valence-band mixing effects are included in the model. It is found that these two effects have an important influence on the value of the index of refraction and that superstructure effects rapidly decrease for energies greater than the superlattice potential barriers. Because of the quasi-two-dimensional character of the Gamma-region excitons, the results indicate that the superlattice index of refraction can vary by about two percent at the quantized, bound-exciton, transition energies. Overall, the theoretical results are in good agreement with the experimental data.

Frustrated ground state in the metallic Ising antiferromagnet Nd2Ni2In

NASA Astrophysics Data System (ADS)

Sala, G.; Mašková, S.; Stone, M. B.

2017-10-01

We used inelastic neutron scattering measurements to examine the intermetallic Ising antiferromagnet Nd2Ni2In . The dynamical structure factor displays a spectrum with multiple crystal field excitations. These crystal field excitations consist of a set of four transitions covering a range of energies between 4 and 80 meV. The spectrum is very sensitive to the temperature, and we observed a softening and a shift in the energies above the transition temperature of the system. The analysis of the crystalline electric field scheme confirms the Ising nature of the spins and their orientation as proposed by previous studies. We characterized Nd2Ni2In as a large moment intermetallic antiferromagnet with the potential to support a geometrically frustrated Shastry-Sutherland lattice.

Hierarchical nanostructures of polypyrrole@MnO2 composite electrodes for high performance solid-state asymmetric supercapacitors.

PubMed

Tao, Jiayou; Liu, Nishuang; Li, Luying; Su, Jun; Gao, Yihua

2014-03-07

A solid-state high performance flexible asymmetric supercapacitor (ASC) was fabricated. Its anode is based on organic-inorganic materials, where polypyrrole (PPy) is uniformly wrapped on MnO2 nanoflowers grown on carbon cloth (CC), and its cathode is made of activated carbon (AC) on CC. The ASC has an areal capacitance of 1.41 F cm(-2) and an energy density of 0.63 mW h cm(-2) at a power density of 0.9 mW cm(-2). An energy storage unit fabricated using multiple ASCs can drive a light-emitting diode (LED) segment display, a mini motor and even a toy car after full charging. The high-performance ASCs have significant potential applications in flexible electronics and electrical vehicles.

High resolution structural characterisation of laser-induced defect clusters inside diamond

NASA Astrophysics Data System (ADS)

Salter, Patrick S.; Booth, Martin J.; Courvoisier, Arnaud; Moran, David A. J.; MacLaren, Donald A.

2017-08-01

Laser writing with ultrashort pulses provides a potential route for the manufacture of three-dimensional wires, waveguides, and defects within diamond. We present a transmission electron microscopy study of the intrinsic structure of the laser modifications and reveal a complex distribution of defects. Electron energy loss spectroscopy indicates that the majority of the irradiated region remains as sp3 bonded diamond. Electrically conductive paths are attributed to the formation of multiple nano-scale, sp2-bonded graphitic wires and a network of strain-relieving micro-cracks.

Capacity Expansion Modeling for Storage Technologies

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

Hale, Elaine; Stoll, Brady; Mai, Trieu

2017-04-03

The Resource Planning Model (RPM) is a capacity expansion model designed for regional power systems and high levels of renewable generation. Recent extensions capture value-stacking for storage technologies, including batteries and concentrating solar power with storage. After estimating per-unit capacity value and curtailment reduction potential, RPM co-optimizes investment decisions and reduced-form dispatch, accounting for planning reserves; energy value, including arbitrage and curtailment reduction; and three types of operating reserves. Multiple technology cost scenarios are analyzed to determine level of deployment in the Western Interconnection under various conditions.

Bringing global gyrokinetic turbulence simulations to the transport timescale using a multiscale approach

NASA Astrophysics Data System (ADS)

Parker, Jeffrey B.; LoDestro, Lynda L.; Told, Daniel; Merlo, Gabriele; Ricketson, Lee F.; Campos, Alejandro; Jenko, Frank; Hittinger, Jeffrey A. F.

2018-05-01

The vast separation dividing the characteristic times of energy confinement and turbulence in the core of toroidal plasmas makes first-principles prediction on long timescales extremely challenging. Here we report the demonstration of a multiple-timescale method that enables coupling global gyrokinetic simulations with a transport solver to calculate the evolution of the self-consistent temperature profile. This method, which exhibits resiliency to the intrinsic fluctuations arising in turbulence simulations, holds potential for integrating nonlocal gyrokinetic turbulence simulations into predictive, whole-device models.

Progress of solar technology and potential farm uses

NASA Astrophysics Data System (ADS)

Heid, W. G., Jr.; Trotter, W. K.

1982-09-01

The efficient use of solar energy on farms for space heating and cooling of livestock buildings, drying crops, and heating farm homes is discussed. Low cost, homemade solar collectors, having multiple uses and a payback of less than 5 years, are the most popular systems. In contrast, most commercially produced systems are still too expensive for agricultural uses, partly because they fail to qualify for tax credits as large as those allowed for residential uses. The solar industry has shown little interest in marketing the low cost technologies specifically developed for agriculture.

Tuneable complementary metamaterial structures based on graphene for single and multiple transparency windows

PubMed Central

Ding, Jun; Arigong, Bayaner; Ren, Han; Zhou, Mi; Shao, Jin; Lu, Meng; Chai, Yang; Lin, Yuankun; Zhang, Hualiang

2014-01-01

Novel graphene-based tunable plasmonic metamaterials featuring single and multiple transparency windows are numerically studied in this paper. The designed structures consist of a graphene layer perforated with quadrupole slot structures and dolmen-like slot structures printed on a substrate. Specifically, the graphene-based quadrupole slot structure can realize a single transparency window, which is achieved without breaking the structure symmetry. Further investigations have shown that the single transparency window in the proposed quadrupole slot structure is more likely originated from the quantum effect of Autler-Townes splitting. Then, by introducing a dipole slot to the quadrupole slot structure to form the dolmen-like slot structure, an additional transmission dip could occur in the transmission spectrum, thus, a multiple-transparency-window system can be achieved (for the first time for graphene-based devices). More importantly, the transparency windows for both the quadrupole slot and the dolmen-like slot structures can be dynamically controlled over a broad frequency range by varying the Fermi energy levels of the graphene layer (through electrostatic gating). The proposed slot metamaterial structures with tunable single and multiple transparency windows could find potential applications in many areas such as multiple-wavelength slow-light devices, active plasmonic switching, and optical sensing. PMID:25146672

Tuneable complementary metamaterial structures based on graphene for single and multiple transparency windows.

PubMed

Ding, Jun; Arigong, Bayaner; Ren, Han; Zhou, Mi; Shao, Jin; Lu, Meng; Chai, Yang; Lin, Yuankun; Zhang, Hualiang

2014-08-22

Novel graphene-based tunable plasmonic metamaterials featuring single and multiple transparency windows are numerically studied in this paper. The designed structures consist of a graphene layer perforated with quadrupole slot structures and dolmen-like slot structures printed on a substrate. Specifically, the graphene-based quadrupole slot structure can realize a single transparency window, which is achieved without breaking the structure symmetry. Further investigations have shown that the single transparency window in the proposed quadrupole slot structure is more likely originated from the quantum effect of Autler-Townes splitting. Then, by introducing a dipole slot to the quadrupole slot structure to form the dolmen-like slot structure, an additional transmission dip could occur in the transmission spectrum, thus, a multiple-transparency-window system can be achieved (for the first time for graphene-based devices). More importantly, the transparency windows for both the quadrupole slot and the dolmen-like slot structures can be dynamically controlled over a broad frequency range by varying the Fermi energy levels of the graphene layer (through electrostatic gating). The proposed slot metamaterial structures with tunable single and multiple transparency windows could find potential applications in many areas such as multiple-wavelength slow-light devices, active plasmonic switching, and optical sensing.

Constant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian Exchange

PubMed Central

2015-01-01

We present a new computational approach for constant pH simulations in explicit solvent based on the combination of the enveloping distribution sampling (EDS) and Hamiltonian replica exchange (HREX) methods. Unlike constant pH methods based on variable and continuous charge models, our method is based on discrete protonation states. EDS generates a hybrid Hamiltonian of different protonation states. A smoothness parameter s is used to control the heights of energy barriers of the hybrid-state energy landscape. A small s value facilitates state transitions by lowering energy barriers. Replica exchange between EDS potentials with different s values allows us to readily obtain a thermodynamically accurate ensemble of multiple protonation states with frequent state transitions. The analysis is performed with an ensemble obtained from an EDS Hamiltonian without smoothing, s = ∞, which strictly follows the minimum energy surface of the end states. The accuracy and efficiency of this method is tested on aspartic acid, lysine, and glutamic acid, which have two protonation states, a histidine with three states, a four-residue peptide with four states, and snake cardiotoxin with eight states. The pKa values estimated with the EDS-HREX method agree well with the experimental pKa values. The mean absolute errors of small benchmark systems range from 0.03 to 0.17 pKa units, and those of three titratable groups of snake cardiotoxin range from 0.2 to 1.6 pKa units. This study demonstrates that EDS-HREX is a potent theoretical framework, which gives the correct description of multiple protonation states and good calculated pKa values. PMID:25061443

Regional allocation of biomass to U.S. energy demands under a portfolio of policy scenarios.

PubMed

Mullins, Kimberley A; Venkatesh, Aranya; Nagengast, Amy L; Kocoloski, Matt

2014-01-01

The potential for widespread use of domestically available energy resources, in conjunction with climate change concerns, suggest that biomass may be an essential component of U.S. energy systems in the near future. Cellulosic biomass in particular is anticipated to be used in increasing quantities because of policy efforts, such as federal renewable fuel standards and state renewable portfolio standards. Unfortunately, these independently designed biomass policies do not account for the fact that cellulosic biomass can equally be used for different, competing energy demands. An integrated assessment of multiple feedstocks, energy demands, and system costs is critical for making optimal decisions about a unified biomass energy strategy. This study develops a spatially explicit, best-use framework to optimally allocate cellulosic biomass feedstocks to energy demands in transportation, electricity, and residential heating sectors, while minimizing total system costs and tracking greenhouse gas emissions. Comparing biomass usage across three climate policy scenarios suggests that biomass used for space heating is a low cost emissions reduction option, while biomass for liquid fuel or for electricity becomes attractive only as emissions reduction targets or carbon prices increase. Regardless of the policy approach, study results make a strong case for national and regional coordination in policy design and compliance pathways.

Increasing Flexibility in Energy Code Compliance: Performance Packages

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

Hart, Philip R.; Rosenberg, Michael I.

Energy codes and standards have provided significant increases in building efficiency over the last 38 years, since the first national energy code was published in late 1975. The most commonly used path in energy codes, the prescriptive path, appears to be reaching a point of diminishing returns. As the code matures, the prescriptive path becomes more complicated, and also more restrictive. It is likely that an approach that considers the building as an integrated system will be necessary to achieve the next real gains in building efficiency. Performance code paths are increasing in popularity; however, there remains a significant designmore » team overhead in following the performance path, especially for smaller buildings. This paper focuses on development of one alternative format, prescriptive packages. A method to develop building-specific prescriptive packages is reviewed based on a multiple runs of prototypical building models that are used to develop parametric decision analysis to determines a set of packages with equivalent energy performance. The approach is designed to be cost-effective and flexible for the design team while achieving a desired level of energy efficiency performance. A demonstration of the approach based on mid-sized office buildings with two HVAC system types is shown along with a discussion of potential applicability in the energy code process.« less

A social-ecological database to advance research on infrastructure development impacts in the Brazilian Amazon.

PubMed

Tucker Lima, Joanna M; Valle, Denis; Moretto, Evandro Mateus; Pulice, Sergio Mantovani Paiva; Zuca, Nadia Lucia; Roquetti, Daniel Rondinelli; Beduschi, Liviam Elizabeth Cordeiro; Praia, Amanda Salles; Okamoto, Claudia Parucce Franco; da Silva Carvalhaes, Vinicius Leite; Branco, Evandro Albiach; Barbezani, Bruna; Labandera, Emily; Timpe, Kelsie; Kaplan, David

2016-08-30

Recognized as one of the world's most vital natural and cultural resources, the Amazon faces a wide variety of threats from natural resource and infrastructure development. Within this context, rigorous scientific study of the region's complex social-ecological system is critical to inform and direct decision-making toward more sustainable environmental and social outcomes. Given the Amazon's tightly linked social and ecological components and the scope of potential development impacts, effective study of this system requires an easily accessible resource that provides a broad and reliable data baseline. This paper brings together multiple datasets from diverse disciplines (including human health, socio-economics, environment, hydrology, and energy) to provide investigators with a variety of baseline data to explore the multiple long-term effects of infrastructure development in the Brazilian Amazon.

A social-ecological database to advance research on infrastructure development impacts in the Brazilian Amazon

PubMed Central

Tucker Lima, Joanna M.; Valle, Denis; Moretto, Evandro Mateus; Pulice, Sergio Mantovani Paiva; Zuca, Nadia Lucia; Roquetti, Daniel Rondinelli; Beduschi, Liviam Elizabeth Cordeiro; Praia, Amanda Salles; Okamoto, Claudia Parucce Franco; da Silva Carvalhaes, Vinicius Leite; Branco, Evandro Albiach; Barbezani, Bruna; Labandera, Emily; Timpe, Kelsie; Kaplan, David

2016-01-01

Recognized as one of the world’s most vital natural and cultural resources, the Amazon faces a wide variety of threats from natural resource and infrastructure development. Within this context, rigorous scientific study of the region’s complex social-ecological system is critical to inform and direct decision-making toward more sustainable environmental and social outcomes. Given the Amazon’s tightly linked social and ecological components and the scope of potential development impacts, effective study of this system requires an easily accessible resource that provides a broad and reliable data baseline. This paper brings together multiple datasets from diverse disciplines (including human health, socio-economics, environment, hydrology, and energy) to provide investigators with a variety of baseline data to explore the multiple long-term effects of infrastructure development in the Brazilian Amazon. PMID:27575915

Vibration-translation energy transfer in anharmonic diatomic molecules. 2: The vibrational quantum number dependence

NASA Technical Reports Server (NTRS)

Mckenzie, R. L.

1975-01-01

A semiclassical model of the inelastic collision between a vibrationally excited anharmonic oscillator and a structureless atom was used to predict the variation of thermally averaged vibration-translation rate coefficients with temperature and initial-state quantum number. Multiple oscillator states were included in a numerical solution for collinear encounters. The results are compared with CO-He experimental values for both ground and excited initial states using several simplified forms of the interaction potential. The numerical model was also used as a basis for evaluating several less complete but analytic models. Two computationally simple analytic approximations were found that successfully reproduced the numerical rate coefficients for a wide range of molecular properties and collision partners. Their limitations were also identified. The relative rates of multiple-quantum transitions from excited states were evaluated for several molecular types.

Charge transfer in single and multiple scattering events at metal surfaces: a wavepacket study of the Na(+)/Cu(100) system.

PubMed

Sindona, A; Pisarra, M; Maletta, S; Riccardi, P; Falcone, G

2010-12-01

Resonant neutralization of hyperthermal energy Na(+) ions impinging on Cu(100) surfaces is studied, focusing on two specific collision events: one in which the projectile is reflected off the surface, the other in which the incident atom penetrates the outer surface layers initiating a series of scattering processes, within the target, and coming out together with a single surface atom. A semi-empirical model potential is adopted that embeds: (i) the electronic structure of the sample, (ii) the central field of the projectile, and (iii) the contribution of the Cu atom ejected in multiple scattering events. The evolution of the ionization orbital of the scattered atom is simulated, backwards in time, using a wavepacket propagation algorithm. The output of the approach is the neutralization probability, obtained by projecting the time-reversed valence wavefunction of the projectile onto the initially filled conduction band states. The results are in agreement with available data from the literature (Keller et al 1995 Phys. Rev. Lett. 75 1654) indicating that the motion of surface atoms, exiting the targets with kinetic energies of the order of a few electronvolts, plays a significant role in the final charge state of projectiles.

Mapping habitat for multiple species in the Desert Southwest

USGS Publications Warehouse

Inman, Richard D.; Nussear, Kenneth E.; Esque, Todd C.; Vandergast, Amy G.; Hathaway, Stacie A.; Wood, Dustin A.; Barr, Kelly R.; Fisher, Robert N.

2014-01-01

Many utility scale renewable energy projects are currently proposed across the Mojave Ecoregion. Agencies that manage biological resources throughout this region need to understand the potential impacts of these renewable energy projects and their associated infrastructure (for example, transmission corridors, substations, access roads, etc.) on species movement, genetic exchange among populations, and species’ abilities to adapt to changing environmental conditions. Understanding these factors will help managers’ select appropriate project sites and possibly mitigate for anticipated effects of management activities. We used species distribution models to map habitat for 15 species across the Mojave Ecoregion to aid regional land-use management planning. Models were developed using a common 1 × 1 kilometer resolution with maximum entropy and generalized additive models. Occurrence data were compiled from multiple sources, including VertNet (http://vertnet.org/), HerpNET (http://www.herpnet.org), and MaNIS (http://manisnet.org), as well as from internal U.S. Geological Survey databases and other biologists. Background data included 20 environmental covariates representing terrain, vegetation, and climate covariates. This report summarizes these environmental covariates and species distribution models used to predict habitat for the 15 species across the Mojave Ecoregion.

Traffic off-balancing algorithm for energy efficient networks

NASA Astrophysics Data System (ADS)

Kim, Junhyuk; Lee, Chankyun; Rhee, June-Koo Kevin

2011-12-01

Physical layer of high-end network system uses multiple interface arrays. Under the load-balancing perspective, light load can be distributed to multiple interfaces. However, it can cause energy inefficiency in terms of the number of poor utilization interfaces. To tackle this energy inefficiency, traffic off-balancing algorithm for traffic adaptive interface sleep/awake is investigated. As a reference model, 40G/100G Ethernet is investigated. We report that suggested algorithm can achieve energy efficiency while satisfying traffic transmission requirement.

Energy-loss cross sections for inclusive charge-exchange reactions at intermediate energies

NASA Technical Reports Server (NTRS)

Cucinotta, Francis A.; Townsend, Lawrence W.; Dubey, Rajendra R.

1993-01-01

Charge-exchange reactions for scattering to the continuum are considered in a high-energy multiple scattering model. Calculations for (p,n) and (He-3,H-3) reactions are made and compared with experimental results for C-12, O-16, and Al-27 targets. Coherent effects are shown to lead to an important role for inelastic multiple scattering terms when light projectiles are considered.

Hydrogen Energy Storage (HES) and Power-to-Gas Economic Analysis; NREL (National Renewable Energy Laboratory)

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

Eichman, Joshua

This presentation summarizes opportunities for hydrogen energy storage and power-to-gas and presents the results of a market analysis performed by the National Renewable Energy Laboratory to quantify the value of energy storage. Hydrogen energy storage and power-to-gas systems have the ability to integrate multiple energy sectors including electricity, transportation, and industrial. On account of the flexibility of hydrogen systems, there are a variety of potential system configurations. Each configuration will provide different value to the owner, customers and grid system operator. This presentation provides an economic comparison of hydrogen storage, power-to-gas and conventional storage systems. The total cost is comparedmore » to the revenue with participation in a variety of markets to assess the economic competitiveness. It is found that the sale of hydrogen for transportation or industrial use greatly increases competitiveness. Electrolyzers operating as demand response devices (i.e., selling hydrogen and grid services) are economically competitive, while hydrogen storage that inputs electricity and outputs only electricity have an unfavorable business case. Additionally, tighter integration with the grid provides greater revenue (e.g., energy, ancillary service and capacity markets are explored). Lastly, additional hours of storage capacity is not necessarily more competitive in current energy and ancillary service markets and electricity markets will require new mechanisms to appropriately compensate long duration storage devices.« less

Multiplicity of Charged Particles in Pion - Nucleus Interactions in an Emulsion at 200-GeV/c

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

Anzon, Z.V.; Gaitinov, A.Sh.; Eremenko, L.E.

1977-01-01

The experimental data on multiplicities of charged secondaries produced in pion-nucleus interactions in an emulsion at 200 Gev/c and correlations bet6ween them are presented and discussed. Parameters of multiplicity distributions are compared with the relevant ones at lower energies and with data from pA-interactions at 200 Gev/c. The multiplicity of heavily ionizing particles in {Pi}{sup -}A-interactions weakly depend on the incident energy. The KNO scaling is observed being the same for incident protons and pions.

Sugar and total energy content of household food purchases in Brazil.

PubMed

Levy, Renata Bertazzi; Claro, Rafael Moreira; Monteiro, Carlos Augusto

2009-11-01

To study the role of energy derived from sugar (both table sugar and sugar added to processed foods) in the total energy content of food purchases in Brazil. Food purchase data were collected during a national household budget survey carried out between June 2002 and July 2003 on a probabilistic sample representative of all households in the country. The amount of food purchased in this 12-month period was transformed into energy and energy from sugar using food composition tables. Multiple linear regression models were used to study the association between amount of energy from sugar and total energy content of food purchases, controlling for sociodemographic variables and potential interactions between these variables and sugar purchases. There was a positive and significant association between energy from sugar and total household energy purchases. A 1 kJ increase in sugar purchase corresponded to a 3.637 kJ increase in total energy. In the absence of expenditure on meals outside the home, i.e. when household food purchases tend to approximate actual food consumption by household members, sugar purchase of 1926.35 kJ/d (the 90th percentile of the distribution of sugar purchases in Brazil) was associated, depending on income strata, with total energy purchase over 40-60 % of the recommended daily value for energy intake in Brazil. The present results corroborate the recommendations of the WHO and the Brazilian Ministry of Health regarding limiting the consumption of sugar.

Energy metabolism, fuel selection and body weight regulation

PubMed Central

Galgani, J; Ravussin, E

2010-01-01

Energy homeostasis is critical for the survival of species. Therefore, multiple and complex mechanisms have evolved to regulate energy intake and expenditure to maintain body weight. For weight maintenance, not only does energy intake have to match energy expenditure, but also macronutrient intake must balance macronutrient oxidation. However, this equilibrium seems to be particularly difficult to achieve in individuals with low fat oxidation, low energy expenditure, low sympathetic activity or low levels of spontaneous physical activity, as in addition to excess energy intake, all of these factors explain the tendency of some people to gain weight. Additionally, large variability in weight change is observed when energy surplus is imposed experimentally or spontaneously. Clearly, the data suggest a strong genetic influence on body weight regulation implying a normal physiology in an ‘obesogenic’ environment. In this study, we also review evidence that carbohydrate balance may represent the potential signal that regulates energy homeostasis by impacting energy intake and body weight. Because of the small storage capacity for carbohydrate and its importance for metabolism in many tissues and organs, carbohydrate balance must be maintained at a given level. This drive for balance may in turn cause increased energy intake when consuming a diet high in fat and low in carbohydrate. If sustained over time, such an increase in energy intake cannot be detected by available methods, but may cause meaningful increases in body weight. The concept of metabolic flexibility and its impact on body weight regulation is also presented. PMID:19136979

Design of a transportable high efficiency fast neutron spectrometer

DOE PAGES

Roecker, C.; Bernstein, A.; Bowden, N. S.; ...

2016-04-12

A transportable fast neutron detection system has been designed and constructed for measuring neutron energy spectra and flux ranging from tens to hundreds of MeV. The transportability of the spectrometer reduces the detector-related systematic bias between different neutron spectra and flux measurements, which allows for the comparison of measurements above or below ground. The spectrometer will measure neutron fluxes that are of prohibitively low intensity compared to the site-specific background rates targeted by other transportable fast neutron detection systems. To measure low intensity high-energy neutron fluxes, a conventional capture-gating technique is used for measuring neutron energies above 20 MeV andmore » a novel multiplicity technique is used for measuring neutron energies above 100 MeV. The spectrometer is composed of two Gd containing plastic scintillator detectors arranged around a lead spallation target. To calibrate and characterize the position dependent response of the spectrometer, a Monte Carlo model was developed and used in conjunction with experimental data from gamma ray sources. Multiplicity event identification algorithms were developed and used with a Cf-252 neutron multiplicity source to validate the Monte Carlo model Gd concentration and secondary neutron capture efficiency. The validated Monte Carlo model was used to predict an effective area for the multiplicity and capture gating analyses. For incident neutron energies between 100 MeV and 1000 MeV with an isotropic angular distribution, the multiplicity analysis predicted an effective area of 500 cm 2 rising to 5000 cm 2. For neutron energies above 20 MeV, the capture-gating analysis predicted an effective area between 1800 cm 2 and 2500 cm 2. As a result, the multiplicity mode was found to be sensitive to the incident neutron angular distribution.« less

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

Roecker, C.; Bernstein, A.; Bowden, N. S.

A transportable fast neutron detection system has been designed and constructed for measuring neutron energy spectra and flux ranging from tens to hundreds of MeV. The transportability of the spectrometer reduces the detector-related systematic bias between different neutron spectra and flux measurements, which allows for the comparison of measurements above or below ground. The spectrometer will measure neutron fluxes that are of prohibitively low intensity compared to the site-specific background rates targeted by other transportable fast neutron detection systems. To measure low intensity high-energy neutron fluxes, a conventional capture-gating technique is used for measuring neutron energies above 20 MeV andmore » a novel multiplicity technique is used for measuring neutron energies above 100 MeV. The spectrometer is composed of two Gd containing plastic scintillator detectors arranged around a lead spallation target. To calibrate and characterize the position dependent response of the spectrometer, a Monte Carlo model was developed and used in conjunction with experimental data from gamma ray sources. Multiplicity event identification algorithms were developed and used with a Cf-252 neutron multiplicity source to validate the Monte Carlo model Gd concentration and secondary neutron capture efficiency. The validated Monte Carlo model was used to predict an effective area for the multiplicity and capture gating analyses. For incident neutron energies between 100 MeV and 1000 MeV with an isotropic angular distribution, the multiplicity analysis predicted an effective area of 500 cm 2 rising to 5000 cm 2. For neutron energies above 20 MeV, the capture-gating analysis predicted an effective area between 1800 cm 2 and 2500 cm 2. As a result, the multiplicity mode was found to be sensitive to the incident neutron angular distribution.« less

Multiple-energy Techniques in Industrial Computerized Tomography

DOE R&D Accomplishments Database

Schneberk, D.; Martz, H.; Azevedo, S.

1990-08-01

Considerable effort is being applied to develop multiple-energy industrial CT techniques for materials characterization. Multiple-energy CT can provide reliable estimates of effective Z (Z{sub eff}), weight fraction, and rigorous calculations of absolute density, all at the spatial resolution of the scanner. Currently, a wide variety of techniques exist for CT scanners, but each has certain problems and limitations. Ultimately, the best multi-energy CT technique would combine the qualities of accuracy, reliability, and wide range of application, and would require the smallest number of additional measurements. We have developed techniques for calculating material properties of industrial objects that differ somewhat from currently used methods. In this paper, we present our methods for calculating Z{sub eff}, weight fraction, and density. We begin with the simplest case -- methods for multiple-energy CT using isotopic sources -- and proceed to multiple-energy work with x-ray machine sources. The methods discussed here are illustrated on CT scans of PBX-9502 high explosives, a lexan-aluminum phantom, and a cylinder of glass beads used in a preliminary study to determine if CT can resolve three phases: air, water, and a high-Z oil. In the CT project at LLNL, we have constructed several CT scanners of varying scanning geometries using {gamma}- and x-ray sources. In our research, we employed two of these scanners: pencil-beam CAT for CT data using isotopic sources and video-CAT equipped with an IRT micro-focal x-ray machine source.

Energy Analysis of a Complementary Heating System Combining Solar Energy and Coal for a Rural Residential Building in Northwest China.

PubMed

Zhen, Xiaofei; Li, Jinping; Abdalla Osman, Yassir Idris; Feng, Rong; Zhang, Xuemin; Kang, Jian

2018-01-01

In order to utilize solar energy to meet the heating demands of a rural residential building during the winter in the northwestern region of China, a hybrid heating system combining solar energy and coal was built. Multiple experiments to monitor its performance were conducted during the winter in 2014 and 2015. In this paper, we analyze the efficiency of the energy utilization of the system and describe a prototype model to determine the thermal efficiency of the coal stove in use. Multiple linear regression was adopted to present the dual function of multiple factors on the daily heat-collecting capacity of the solar water heater; the heat-loss coefficient of the storage tank was detected as well. The prototype model shows that the average thermal efficiency of the stove is 38%, which means that the energy input for the building is divided between the coal and solar energy, 39.5% and 60.5% energy, respectively. Additionally, the allocation of the radiation of solar energy projecting into the collecting area of the solar water heater was obtained which showed 49% loss with optics and 23% with the dissipation of heat, with only 28% being utilized effectively.

Design and Control of Integrated Systems for Hydrogen Production and Power Generation

NASA Astrophysics Data System (ADS)

Georgis, Dimitrios

Growing concerns on CO2 emissions have led to the development of highly efficient power plants. Options for increased energy efficiencies include alternative energy conversion pathways, energy integration and process intensification. Solid oxide fuel cells (SOFC) constitute a promising alternative for power generation since they convert the chemical energy electrochemically directly to electricity. Their high operating temperature shows potential for energy integration with energy intensive units (e.g. steam reforming reactors). Although energy integration is an essential tool for increased efficiencies, it leads to highly complex process schemes with rich dynamic behavior, which are challenging to control. Furthermore, the use of process intensification for increased energy efficiency imposes an additional control challenge. This dissertation identifies and proposes solutions on design, operational and control challenges of integrated systems for hydrogen production and power generation. Initially, a study on energy integrated SOFC systems is presented. Design alternatives are identified, control strategies are proposed for each alternative and their validity is evaluated under different operational scenarios. The operational range of the proposed control strategies is also analyzed. Next, thermal management of water gas shift membrane reactors, which are a typical application of process intensification, is considered. Design and operational objectives are identified and a control strategy is proposed employing advanced control algorithms. The performance of the proposed control strategy is evaluated and compared with classical control strategies. Finally SOFC systems for combined heat and power applications are considered. Multiple recycle loops are placed to increase design flexibility. Different operational objectives are identified and a nonlinear optimization problem is formulated. Optimal designs are obtained and their features are discussed and compared. The results of the dissertation provide a deeper understanding on the design, operational and control challenges of the above systems and can potentially guide further commercialization efforts. In addition to this, the results can be generalized and used for applications from the transportation and residential sector to large--scale power plants.

In silico concurrent multisite pH titration in proteins.

PubMed

Hu, Hao; Shen, Lin

2014-07-30

The concurrent proton binding at multiple sites in macromolecules such as proteins and nucleic acids is an important yet challenging problem in biochemistry. We develop an efficient generalized Hamiltonian approach to attack this issue. Based on the previously developed generalized-ensemble methods, an effective potential energy is constructed which combines the contributions of all (relevant) protonation states of the molecule. The effective potential preserves important phase regions of all states and, thus, allows efficient sampling of these regions in one simulation. The need for intermediate states in alchemical free energy simulations is greatly reduced. Free energy differences between different protonation states can be determined accurately and enable one to construct the grand canonical partition function. Therefore, the complicated concurrent multisite proton titration process of protein molecules can be satisfactorily simulated. Application of this method to the simulation of the pKa of Glu49, Asp50, and C-terminus of bovine pancreatic trypsin inhibitor shows reasonably good agreement with published experimental work. This method provides an unprecedented vivid picture of how different protonation states change their relative population upon pH titration. We believe that the method will be very useful in deciphering the molecular mechanism of pH-dependent biomolecular processes in terms of a detailed atomistic description. Copyright © 2014 Wiley Periodicals, Inc.

Inhibition of AMP-Activated Protein Kinase Signaling Alleviates Impairments in Hippocampal Synaptic Plasticity Induced by Amyloid β

PubMed Central

Ma, Tao; Chen, Yiran; Vingtdeux, Valerie; Zhao, Haitian; Viollet, Benoit; Marambaud, Philippe

2014-01-01

The AMP-activated protein kinase (AMPK) is a Ser/Thr kinase that is activated in response to low-energy states to coordinate multiple signaling pathways to maintain cellular energy homeostasis. Dysregulation of AMPK signaling has been observed in Alzheimer's disease (AD), which is associated with abnormal neuronal energy metabolism. In the current study we tested the hypothesis that aberrant AMPK signaling underlies AD-associated synaptic plasticity impairments by using pharmacological and genetic approaches. We found that amyloid β (Aβ)-induced inhibition of long-term potentiation (LTP) and enhancement of long-term depression were corrected by the AMPK inhibitor compound C (CC). Similarly, LTP impairments in APP/PS1 transgenic mice that model AD were improved by CC treatment. In addition, Aβ-induced LTP failure was prevented in mice with genetic deletion of the AMPK α2-subunit, the predominant AMPK catalytic subunit in the brain. Furthermore, we found that eukaryotic elongation factor 2 (eEF2) and its kinase eEF2K are key downstream effectors that mediate the detrimental effects of hyperactive AMPK in AD pathophysiology. Our findings describe a previously unrecognized role of aberrant AMPK signaling in AD-related synaptic pathophysiology and reveal a potential therapeutic target for AD. PMID:25186765

Measurement of higher cumulants of net-charge multiplicity distributions in Au + Au collisions at s N N = 7.7 – 200 GeV

DOE PAGES

Adare, A.; Afanasiev, S.; Aidala, C.; ...

2016-01-19

Our report presents the measurement of cumulants (C n,n=1,...,4) of the net-charge distributions measured within pseudorapidity (|η|<0.35) in Au+Au collisions at √s NN=7.7–200GeV with the PHENIX experiment at the Relativistic Heavy Ion Collider. The ratios of cumulants (e.g., C 1/C 2, C 3/C 1) of the net-charge distributions, which can be related to volume independent susceptibility ratios, are studied as a function of centrality and energy. These quantities are important to understand the quantum-chromodynamics phase diagram and possible existence of a critical end point. The measured values are very well described by expectation from negative binomial distributions. We do notmore » observe any nonmonotonic behavior in the ratios of the cumulants as a function of collision energy. These measured values of C 1/C 2 and C 3/C 1 can be directly compared to lattice quantum-chromodynamics calculations and thus allow extraction of both the chemical freeze-out temperature and the baryon chemical potential at each center-of-mass energy. Moreover, the extracted baryon chemical potentials are in excellent agreement with a thermal-statistical analysis model.« less

NASA's Vision for Potential Energy Reduction from Future Generations of Propulsion Technology

NASA Technical Reports Server (NTRS)

Haller, Bill

2015-01-01

Through a robust partnership with the aviation industry, over the past 50 years NASA programs have helped foster advances in propulsion technology that enabled substantial reductions in fuel consumption for commercial transports. Emerging global trends and continuing environmental concerns are creating challenges that will very likely transform the face of aviation over the next 20-40 years. In recognition of this development, NASA Aeronautics has established a set of Research Thrusts that will help define the future direction of the agency's research technology efforts. Two of these thrusts, Ultra-Efficient Commercial Vehicles and Transition to Low-Carbon Propulsion, serve as cornerstones for the Advanced Air Transport Technology (AATT) project. The AATT project is exploring and developing high-payoff technologies and concepts that are key to continued improvement in energy efficiency and environmental compatibility for future generations of fixed-wing, subsonic transports. The AATT project is primarily focused on the N+3 timeframe, or 3 generations from current technology levels. As should be expected, many of the propulsion system architectures technologies envisioned for N+3 vary significantly from todays engines. The use of batteries in a hybrid-electric configuration or deploying multiple fans distributed across the airframe to enable higher bypass ratios are just two examples of potential advances that could enable substantial energy reductions over current propulsion systems.

Gamma-ray Output Spectra from 239 Pu Fission

DOE PAGES

Ullmann, John

2015-05-25

The gamma-ray multiplicities, individual gamma-ray energy spectra, and total gamma energy spectra following neutron-induced fission of 239Pu were measured using the DANCE detector at Los Alamos. Corrections for detector response were made using a forward-modeling technique based on propagating sets of gamma rays generated from a paramaterized model through a GEANT model of the DANCE array and adjusting the parameters for best fit to the measured spectra. The results for the gamma-ray spectrum and multiplicity are in general agreement with previous results, but the measured total gamma-ray energy is about 10% higher. We found that a dependence of the gamma-raymore » spectrum on the gamma-ray multplicity was also observed. Finally, global model calculations of the multiplicity and gamma energy distributions are in good agreement with the data, but predict a slightly softer total-energy distribution.« less

A method for energy window optimization for quantitative tasks that includes the effects of model-mismatch on bias: application to Y-90 bremsstrahlung SPECT imaging.

PubMed

Rong, Xing; Du, Yong; Frey, Eric C

2012-06-21

Quantitative Yttrium-90 ((90)Y) bremsstrahlung single photon emission computed tomography (SPECT) imaging has shown great potential to provide reliable estimates of (90)Y activity distribution for targeted radionuclide therapy dosimetry applications. One factor that potentially affects the reliability of the activity estimates is the choice of the acquisition energy window. In contrast to imaging conventional gamma photon emitters where the acquisition energy windows are usually placed around photopeaks, there has been great variation in the choice of the acquisition energy window for (90)Y imaging due to the continuous and broad energy distribution of the bremsstrahlung photons. In quantitative imaging of conventional gamma photon emitters, previous methods for optimizing the acquisition energy window assumed unbiased estimators and used the variance in the estimates as a figure of merit (FOM). However, for situations, such as (90)Y imaging, where there are errors in the modeling of the image formation process used in the reconstruction there will be bias in the activity estimates. In (90)Y bremsstrahlung imaging this will be especially important due to the high levels of scatter, multiple scatter, and collimator septal penetration and scatter. Thus variance will not be a complete measure of reliability of the estimates and thus is not a complete FOM. To address this, we first aimed to develop a new method to optimize the energy window that accounts for both the bias due to model-mismatch and the variance of the activity estimates. We applied this method to optimize the acquisition energy window for quantitative (90)Y bremsstrahlung SPECT imaging in microsphere brachytherapy. Since absorbed dose is defined as the absorbed energy from the radiation per unit mass of tissues in this new method we proposed a mass-weighted root mean squared error of the volume of interest (VOI) activity estimates as the FOM. To calculate this FOM, two analytical expressions were derived for calculating the bias due to model-mismatch and the variance of the VOI activity estimates, respectively. To obtain the optimal acquisition energy window for general situations of interest in clinical (90)Y microsphere imaging, we generated phantoms with multiple tumors of various sizes and various tumor-to-normal activity concentration ratios using a digital phantom that realistically simulates human anatomy, simulated (90)Y microsphere imaging with a clinical SPECT system and typical imaging parameters using a previously validated Monte Carlo simulation code, and used a previously proposed method for modeling the image degrading effects in quantitative SPECT reconstruction. The obtained optimal acquisition energy window was 100-160 keV. The values of the proposed FOM were much larger than the FOM taking into account only the variance of the activity estimates, thus demonstrating in our experiment that the bias of the activity estimates due to model-mismatch was a more important factor than the variance in terms of limiting the reliability of activity estimates.

Self-adaptive Bioinspired Hummingbird-wing Stimulated Triboelectric Nanogenerators.

PubMed

Ahmed, Abdelsalam; Hassan, Islam; Song, Peiyi; Gamaleldin, Mohamed; Radhi, Ali; Panwar, Nishtha; Tjin, Swee Chuan; Desoky, Ahmed Y; Sinton, David; Yong, Ken-Tye; Zu, Jean

2017-12-07

Bio-inspired technologies have remarkable potential for energy harvesting from clean and sustainable energy sources. Inspired by the hummingbird-wing structure, we propose a shape-adaptive, lightweight triboelectric nanogenerator (TENG) designed to exploit the unique flutter mechanics of the hummingbird for small-scale wind energy harvesting. The flutter is confined between two surfaces for contact electrification upon oscillation. We investigate the flutter mechanics on multiple contact surfaces with several free-standing and lightweight electrification designs. The flutter driven-TENGs are deposited on simplified wing designs to match the electrical performance with variations in wind speed. The hummingbird TENG (H-TENG) device weighed 10 g, making it one of the lightest TENG harvesters in the literature. With a six TENG network, the hybrid design attained a 1.5 W m -2 peak electrical output at 7.5 m/s wind speed with an approximately linear increase in charge rate with the increased number of TENG harvesters. We demonstrate the ability of the H-TENG networks to operate Internet of Things (IoT) devices from sustainable and renewable energy sources.

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

Cutler, Dylan; Frank, Stephen; Slovensky, Michelle

Rich, well-organized building performance and energy consumption data enable a host of analytic capabilities for building owners and operators, from basic energy benchmarking to detailed fault detection and system optimization. Unfortunately, data integration for building control systems is challenging and costly in any setting. Large portfolios of buildings--campuses, cities, and corporate portfolios--experience these integration challenges most acutely. These large portfolios often have a wide array of control systems, including multiple vendors and nonstandard communication protocols. They typically have complex information technology (IT) networks and cybersecurity requirements and may integrate distributed energy resources into their infrastructure. Although the challenges are significant,more » the integration of control system data has the potential to provide proportionally greater value for these organizations through portfolio-scale analytics, comprehensive demand management, and asset performance visibility. As a large research campus, the National Renewable Energy Laboratory (NREL) experiences significant data integration challenges. To meet them, NREL has developed an architecture for effective data collection, integration, and analysis, providing a comprehensive view of data integration based on functional layers. The architecture is being evaluated on the NREL campus through deployment of three pilot implementations.« less

Induced vibrations increase performance of a winged self-righting robot

NASA Astrophysics Data System (ADS)

Othayoth, Ratan; Xuan, Qihan; Li, Chen

When upside down, cockroaches can open their wings to dynamically self-right. In this process, an animal often has to perform multiple unsuccessful maneuvers to eventually right, and often flails its legs. Here, we developed a cockroach-inspired winged self-righting robot capable of controlled body vibrations to test the hypothesis that vibrations assist self-righting transitions. Robot body vibrations were induced by an oscillating mass (10% of body mass) and varied by changing oscillation frequency. We discovered that, as the robot's body vibrations increased, righting probability increased, and righting time decreased (P <0.0001, ANOVA), confirming our hypothesis. To begin to understand the underlying physics, we developed a locomotion energy landscape model. Our model revealed that the kinetic energy fluctuations due to vibrations were comparable to the potential energy barriers required to transition from a metastable overturned orientation to an upright orientation. Our study supports the plausibility of locomotion energy landscapes for understanding locomotor transitions, but highlights the need for further stochastic modeling to capture the uncertain nature of when righting maneuvers result in successful righting.

Low-Carbon City Policy Databook: 72 Policy Recommendations for Chinese Cities from the Benchmarking and Energy Savings Tool for Low Carbon Cities

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

Price, Lynn; Zhou, Nan; Fridley, David

This report is designed to help city authorities evaluate and prioritize more than 70 different policy strategies that can reduce their city’s energy use and carbon-based greenhouse gas emissions of carbon dioxide (CO 2) and methane (CH 4). Local government officials, researchers, and planners can utilize the report to identify policies most relevant to local circumstances and to develop a low carbon city action plan that can be implemented in phases, over a multi-year timeframe. The policies cover nine city sectors: industry, public and commercial buildings, residential buildings, transportation, power and heat, street lighting, water & wastewater, solid waste, andmore » urban green space. See Table 1 for a listing of the policies. Recognizing the prominence of urban industry in the energy and carbon inventories of Chinese cities, this report includes low carbon city policies for the industrial sector. The policies gathered here have proven effective in multiple locations around the world and have the potential to achieve future energy and carbon savings in Chinese cities.« less

Value Creation Through Integrated Networks and Convergence

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

De Martini, Paul; Taft, Jeffrey D.

2015-04-01

Customer adoption of distributed energy resources and public policies are driving changes in the uses of the distribution system. A system originally designed and built for one-way energy flows from central generating facilities to end-use customers is now experiencing injections of energy from customers anywhere on the grid and frequent reversals in the direction of energy flow. In response, regulators and utilities are re-thinking the design and operations of the grid to create more open and transactive electric networks. This evolution has the opportunity to unlock significant value for customers and utilities. Alternatively, failure to seize this potential may insteadmore » lead to an erosion of value if customers seek to defect and disconnect from the system. This paper will discuss how current grid modernization investments may be leveraged to create open networks that increase value through the interaction of intelligent devices on the grid and prosumerization of customers. Moreover, even greater value can be realized through the synergistic effects of convergence of multiple networks. This paper will highlight examples of the emerging nexus of non-electric networks with electricity.« less

Energy-cascade organic photovoltaic devices incorporating a host-guest architecture.

PubMed

Menke, S Matthew; Holmes, Russell J

2015-02-04

In planar heterojunction organic photovoltaic devices (OPVs), broad spectral coverage can be realized by incorporating multiple molecular absorbers in an energy-cascade architecture. Here, this approach is combined with a host-guest donor layer architecture previously shown to optimize exciton transport for the fluorescent organic semiconductor boron subphthalocyanine chloride (SubPc) when diluted in an optically transparent host. In order to maximize the absorption efficiency, energy-cascade OPVs that utilize both photoactive host and guest donor materials are examined using the pairing of SubPc and boron subnaphthalocyanine chloride (SubNc), respectively. In a planar heterojunction architecture, excitons generated on the SubPc host rapidly energy transfer to the SubNc guest, where they may migrate toward the dissociating, donor-acceptor interface. Overall, the incorporation of a photoactive host leads to a 13% enhancement in the short-circuit current density and a 20% enhancement in the power conversion efficiency relative to an optimized host-guest OPV combining SubNc with a nonabsorbing host. This work underscores the potential for further design refinements in planar heterojunction OPVs and demonstrates progress toward the effective separation of functionality between constituent OPV materials.

Triboelectric nanogenerator built on suspended 3D spiral structure as vibration and positioning sensor and wave energy harvester.

PubMed

Hu, Youfan; Yang, Jin; Jing, Qingshen; Niu, Simiao; Wu, Wenzhuo; Wang, Zhong Lin

2013-11-26

An unstable mechanical structure that can self-balance when perturbed is a superior choice for vibration energy harvesting and vibration detection. In this work, a suspended 3D spiral structure is integrated with a triboelectric nanogenerator (TENG) for energy harvesting and sensor applications. The newly designed vertical contact-separation mode TENG has a wide working bandwidth of 30 Hz in low-frequency range with a maximum output power density of 2.76 W/m(2) on a load of 6 MΩ. The position of an in-plane vibration source was identified by placing TENGs at multiple positions as multichannel, self-powered active sensors, and the location of the vibration source was determined with an error less than 6%. The magnitude of the vibration is also measured by the output voltage and current signal of the TENG. By integrating the TENG inside a buoy ball, wave energy harvesting at water surface has been demonstrated and used for lighting illumination light, which shows great potential applications in marine science and environmental/infrastructure monitoring.

Comparative study on neutronics characteristics of a 1500 MWe metal fuel sodium-cooled fast reactor

DOE PAGES

Ohgama, Kazuya; Aliberti, Gerardo; Stauff, Nicolas E.; ...

2017-02-28

Under the cooperative effort of the Civil Nuclear Energy R&D Working Group within the framework of the U.S.-Japan bilateral, Argonne National Laboratory (ANL) and Japan Atomic Energy Agency (JAEA) have been performing benchmark study using Japan Sodium-cooled Fast Reactor (JSFR) design with metal fuel. In this benchmark study, core characteristic parameters at the beginning of cycle were evaluated by the best estimate deterministic and stochastic methodologies of ANL and JAEA. The results obtained by both institutions show a good agreement with less than 200 pcm of discrepancy on the neutron multiplication factor, and less than 3% of discrepancy on themore » sodium void reactivity, Doppler reactivity, and control rod worth. The results by the stochastic and deterministic approaches were compared in each party to investigate impacts of the deterministic approximation and to understand potential variations in the results due to different calculation methodologies employed. From the detailed analysis of methodologies, it was found that the good agreement in multiplication factor from the deterministic calculations comes from the cancellation of the differences on the methodology (0.4%) and nuclear data (0.6%). The different treatment in reflector cross section generation was estimated as the major cause of the discrepancy between the multiplication factors by the JAEA and ANL deterministic methodologies. Impacts of the nuclear data libraries were also investigated using a sensitivity analysis methodology. Furthermore, the differences on the inelastic scattering cross sections of U-238, ν values and fission cross sections of Pu-239 and µ-average of Na-23 are the major contributors to the difference on the multiplication factors.« less

Comparative study on neutronics characteristics of a 1500 MWe metal fuel sodium-cooled fast reactor

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

Ohgama, Kazuya; Aliberti, Gerardo; Stauff, Nicolas E.

Under the cooperative effort of the Civil Nuclear Energy R&D Working Group within the framework of the U.S.-Japan bilateral, Argonne National Laboratory (ANL) and Japan Atomic Energy Agency (JAEA) have been performing benchmark study using Japan Sodium-cooled Fast Reactor (JSFR) design with metal fuel. In this benchmark study, core characteristic parameters at the beginning of cycle were evaluated by the best estimate deterministic and stochastic methodologies of ANL and JAEA. The results obtained by both institutions show a good agreement with less than 200 pcm of discrepancy on the neutron multiplication factor, and less than 3% of discrepancy on themore » sodium void reactivity, Doppler reactivity, and control rod worth. The results by the stochastic and deterministic approaches were compared in each party to investigate impacts of the deterministic approximation and to understand potential variations in the results due to different calculation methodologies employed. From the detailed analysis of methodologies, it was found that the good agreement in multiplication factor from the deterministic calculations comes from the cancellation of the differences on the methodology (0.4%) and nuclear data (0.6%). The different treatment in reflector cross section generation was estimated as the major cause of the discrepancy between the multiplication factors by the JAEA and ANL deterministic methodologies. Impacts of the nuclear data libraries were also investigated using a sensitivity analysis methodology. Furthermore, the differences on the inelastic scattering cross sections of U-238, ν values and fission cross sections of Pu-239 and µ-average of Na-23 are the major contributors to the difference on the multiplication factors.« less

ZnO-based multiple channel and multiple gate FinMOSFETs

NASA Astrophysics Data System (ADS)

Lee, Ching-Ting; Huang, Hung-Lin; Tseng, Chun-Yen; Lee, Hsin-Ying

2016-02-01

In recent years, zinc oxide (ZnO)-based metal-oxide-semiconductor field-effect transistors (MOSFETs) have attracted much attention, because ZnO-based semiconductors possess several advantages, including large exciton binding energy, nontoxicity, biocompatibility, low material cost, and wide direct bandgap. Moreover, the ZnO-based MOSFET is one of most potential devices, due to the applications in microwave power amplifiers, logic circuits, large scale integrated circuits, and logic swing. In this study, to enhance the performances of the ZnO-based MOSFETs, the ZnObased multiple channel and multiple gate structured FinMOSFETs were fabricated using the simple laser interference photolithography method and the self-aligned photolithography method. The multiple channel structure possessed the additional sidewall depletion width control ability to improve the channel controllability, because the multiple channel sidewall portions were surrounded by the gate electrode. Furthermore, the multiple gate structure had a shorter distance between source and gate and a shorter gate length between two gates to enhance the gate operating performances. Besides, the shorter distance between source and gate could enhance the electron velocity in the channel fin structure of the multiple gate structure. In this work, ninety one channels and four gates were used in the FinMOSFETs. Consequently, the drain-source saturation current (IDSS) and maximum transconductance (gm) of the ZnO-based multiple channel and multiple gate structured FinFETs operated at a drain-source voltage (VDS) of 10 V and a gate-source voltage (VGS) of 0 V were respectively improved from 11.5 mA/mm to 13.7 mA/mm and from 4.1 mS/mm to 6.9 mS/mm in comparison with that of the conventional ZnO-based single channel and single gate MOSFETs.

Cn(n=2-4): current status

NASA Astrophysics Data System (ADS)

Varandas, A. J. C.; Rocha, C. M. R.

2018-03-01

The major aspects of the C2, C3 and C4 elemental carbon clusters are surveyed. For C2, a brief analysis of its current status is presented. Regarding C3, the most recent results obtained in our group are reviewed with emphasis on modelling its potential energy surface which is particularly complicated due to the presence of multiple conical intersections. As for C4, the most stable isomeric forms of both triplet and singlet spin states and their possible interconversion pathways are examined afresh by means of accurate ab initio calculations. The main strategies for modelling the ground triplet C4 potential are also discussed. Starting from a truncated cluster expansion and a previously reported DMBE form for C3, an approximate four-body term is calibrated from the ab initio energies. The final six-dimensional global DMBE form so obtained reproduces all known topographical aspects while providing an accurate description of the C4 linear-rhombic isomerization pathway. It is therefore commended for both spectroscopic and reaction dynamics studies. This article is part of the theme issue `Modern theoretical chemistry'.

Perennial grass (Arundo donax L.) as a feedstock for thermo-chemical conversion to energy and materials.

PubMed

Saikia, Ruprekha; Chutia, Rahul Singh; Kataki, Rupam; Pant, Kamal K

2015-01-01

In the present study, perennial grass species Arundo donax L. was pyrolysed in a fixed-bed reactor and characterization was performed for the liquid and the solid products. The effect of process parameters such as temperature (350-650 °C), heating rate (10 °C and 40 °C min(-1)) and sweeping gas flow rate (50-250 ml min(-1)) was also investigated. Maximum bio-oil yield of ∼ 26% was observed at 500 °C for the heating rate of 40 °C min(-1). Chemical composition of the bio-oil was analysed through NMR, FTIR and GC-MS. The biochar was characterized by Scanning Electron Microscopy (SEM), Fourier Transform Infrared (FTIR) spectroscopy along with elemental analysis (CHN). The biochar produced as a co-product of A. donax pyrolysis can be a potential soil amendment with multiple benefits including increased soil fertility and C-sequestration. Current investigation suggests suitability of A. donax as a potential feedstock for exploitation of energy and biomaterials through pyrolytic route. Copyright © 2015 Elsevier Ltd. All rights reserved.

A novel method for extraction of neural response from single channel cochlear implant auditory evoked potentials.

PubMed

Sinkiewicz, Daniel; Friesen, Lendra; Ghoraani, Behnaz

2017-02-01

Cortical auditory evoked potentials (CAEP) are used to evaluate cochlear implant (CI) patient auditory pathways, but the CI device produces an electrical artifact, which obscures the relevant information in the neural response. Currently there are multiple methods, which attempt to recover the neural response from the contaminated CAEP, but there is no gold standard, which can quantitatively confirm the effectiveness of these methods. To address this crucial shortcoming, we develop a wavelet-based method to quantify the amount of artifact energy in the neural response. In addition, a novel technique for extracting the neural response from single channel CAEPs is proposed. The new method uses matching pursuit (MP) based feature extraction to represent the contaminated CAEP in a feature space, and support vector machines (SVM) to classify the components as normal hearing (NH) or artifact. The NH components are combined to recover the neural response without artifact energy, as verified using the evaluation tool. Although it needs some further evaluation, this approach is a promising method of electrical artifact removal from CAEPs. Copyright © 2016 IPEM. Published by Elsevier Ltd. All rights reserved.

Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.

PubMed

Bleiziffer, Patrick; Schmidtel, Daniel; Görling, Andreas

2014-11-28

The occurrence of instabilities, in particular singlet-triplet and singlet-singlet instabilities, in the exact-exchange (EXX) Kohn-Sham method is investigated. Hessian matrices of the EXX electronic energy with respect to the expansion coefficients of the EXX effective Kohn-Sham potential in an auxiliary basis set are derived. The eigenvalues of these Hessian matrices determine whether or not instabilities are present. Similar as in the corresponding Hartree-Fock case instabilities in the EXX method are related to symmetry breaking of the Hamiltonian operator for the EXX orbitals. In the EXX methods symmetry breaking can easily be visualized by displaying the local multiplicative exchange potential. Examples (N2, O2, and the polyyne C10H2) for instabilities and symmetry breaking are discussed. The relation of the stability conditions for EXX methods to approaches calculating the Kohn-Sham correlation energy via the adiabatic-connection fluctuation-dissipation (ACFD) theorem is discussed. The existence or nonexistence of singlet-singlet instabilities in an EXX calculation is shown to indicate whether or not the frequency-integration in the evaluation of the correlation energy is singular in the EXX-ACFD method. This method calculates the Kohn-Sham correlation energy through the ACFD theorem theorem employing besides the Coulomb kernel also the full frequency-dependent exchange kernel and yields highly accurate electronic energies. For the case of singular frequency-integrands in the EXX-ACFD method a regularization is suggested. Finally, we present examples of molecular systems for which the self-consistent field procedure of the EXX as well as the Hartree-Fock method can converge to more than one local minimum depending on the initial conditions.

Post-Fukushima Energy and Nuclear Policy Evolution

NASA Astrophysics Data System (ADS)

Masuda, Tatsuo

2014-07-01

The Fukushima nuclear disaster should be marked as a point of departure towards energy policy evolution needed in the 21st century. Japan had cast off the skin after the oil shocks of the 1970s, where energy efficiency and saving played a critical role. Japan might have looked very different without these innovative policies. The post-Fukushima Japan faces multiple challenges, each of which constitutes a daunting task for policymakers such as surging LNG import costs and nuclear restarting. However, overcoming these problems one by one is not enough. Intensifying climate impact alerts us to the arrival of a historical inflection point requiring a radical shift in energy model worldwide, where Japan will be best suited to take the lead in view of its energy history and technology. The on-going effort after Fukushima to renew her energy and nuclear policy is suggestive of her potential to develop an innovative energy model by casting off the skin again. Asia will become the "problem centre" of the world if it may fail to address global environmental problems deriving from the heavy use of energy (about 46% of world's energy used by Asia alone in 2035). If successful, on the contrary, Asia will become the "solution centre" benefiting the global community. Asia is too big to fail as the whole world will be badly affected. The new energy model of Japan will serve as "public goods" for Asian countries in developing their new energy model towards sustainable future.

Searching for modified growth patterns with tomographic surveys

NASA Astrophysics Data System (ADS)

Zhao, Gong-Bo; Pogosian, Levon; Silvestri, Alessandra; Zylberberg, Joel

2009-04-01

In alternative theories of gravity, designed to produce cosmic acceleration at the current epoch, the growth of large scale structure can be modified. We study the potential of upcoming and future tomographic surveys such as Dark Energy Survey (DES) and Large Synoptic Survey Telescope (LSST), with the aid of cosmic microwave background (CMB) and supernovae data, to detect departures from the growth of cosmic structure expected within general relativity. We employ parametric forms to quantify the potential time- and scale-dependent variation of the effective gravitational constant and the differences between the two Newtonian potentials. We then apply the Fisher matrix technique to forecast the errors on the modified growth parameters from galaxy clustering, weak lensing, CMB, and their cross correlations across multiple photometric redshift bins. We find that even with conservative assumptions about the data, DES will produce nontrivial constraints on modified growth and that LSST will do significantly better.

Interlayer electron-hole pair multiplication by hot carriers in atomic layer semiconductor heterostructures

NASA Astrophysics Data System (ADS)

Barati, Fatemeh; Grossnickle, Max; Su, Shanshan; Lake, Roger; Aji, Vivek; Gabor, Nathaniel

Two-dimensional heterostructures composed of atomically thin transition metal dichalcogenides provide the opportunity to design novel devices for the study of electron-hole pair multiplication. We report on highly efficient multiplication of interlayer electron-hole pairs at the interface of a tungsten diselenide / molybdenum diselenide heterostructure. Electronic transport measurements of the interlayer current-voltage characteristics indicate that layer-indirect electron-hole pairs are generated by hot electron impact excitation. Our findings, which demonstrate an efficient energy relaxation pathway that competes with electron thermalization losses, make 2D semiconductor heterostructures viable for a new class of hot-carrier energy harvesting devices that exploit layer-indirect electron-hole excitations. SHINES, an Energy Frontier Research Center funded by the U.S. Department of Energy, Air Force Office of Scientific Research.

An Estimate of Shallow, Low-Temperature Geothermal Resources of the United States

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

Mullane, Michelle; Gleason, Michael; Reber, Tim

Low-temperature geothermal resources in the United States potentially hold an enormous quantity of thermal energy, useful for direct use in residential, commercial and industrial applications such as space and water heating, greenhouse warming, pool heating, aquaculture, and low-temperature manufacturing processes. Several studies published over the past 40 years have provided assessments of the resource potential for multiple types of low-temperature geothermal systems (e.g. hydrothermal convection, hydrothermal conduction, and enhanced geothermal systems) with varying temperature ranges and depths. This paper provides a summary and additional analysis of these assessments of shallow (= 3 km), low-temperature (30-150 degrees C) geothermal resources inmore » the United States, suitable for use in direct-use applications. This analysis considers six types of geothermal systems, spanning both hydrothermal and enhanced geothermal systems (EGS). We outline the primary data sources and quantitative parameters used to describe resources in each of these categories, and present summary statistics of the total resources available. In sum, we find that low-temperature hydrothermal resources and EGS resources contain approximately 8 million and 800 million TWh of heat-in-place, respectively. In future work, these resource potential estimates will be used for modeling of the technical and market potential for direct-use geothermal applications for the U.S. Department of Energy's Geothermal Vision Study.« less

An Estimate of Shallow, Low-Temperature Geothermal Resources of the United States: Preprint

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

Mullane, Michelle; Gleason, Michael; McCabe, Kevin

Low-temperature geothermal resources in the United States potentially hold an enormous quantity of thermal energy, useful for direct use in residential, commercial and industrial applications such as space and water heating, greenhouse warming, pool heating, aquaculture, and low-temperature manufacturing processes. Several studies published over the past 40 years have provided assessments of the resource potential for multiple types of low-temperature geothermal systems (e.g. hydrothermal convection, hydrothermal conduction, and enhanced geothermal systems) with varying temperature ranges and depths. This paper provides a summary and additional analysis of these assessments of shallow (= 3 km), low-temperature (30-150 degrees C) geothermal resources inmore » the United States, suitable for use in direct-use applications. This analysis considers six types of geothermal systems, spanning both hydrothermal and enhanced geothermal systems (EGS). We outline the primary data sources and quantitative parameters used to describe resources in each of these categories, and present summary statistics of the total resources available. In sum, we find that low-temperature hydrothermal resources and EGS resources contain approximately 8 million and 800 million TWh of heat-in-place, respectively. In future work, these resource potential estimates will be used for modeling of the technical and market potential for direct-use geothermal applications for the U.S. Department of Energy's Geothermal Vision Study.« less

Expanding the biomass resource: sustainable oil production via fast pyrolysis of low input high diversity biomass and the potential integration of thermochemical and biological conversion routes.

PubMed

Corton, J; Donnison, I S; Patel, M; Bühle, L; Hodgson, E; Wachendorf, M; Bridgwater, A; Allison, G; Fraser, M D

2016-09-01

Waste biomass is generated during the conservation management of semi-natural habitats, and represents an unused resource and potential bioenergy feedstock that does not compete with food production. Thermogravimetric analysis was used to characterise a representative range of biomass generated during conservation management in Wales. Of the biomass types assessed, those dominated by rush ( Juncus effuses ) and bracken ( Pteridium aquilinum ) exhibited the highest and lowest volatile compositions respectively and were selected for bench scale conversion via fast pyrolysis. Each biomass type was ensiled and a sub-sample of silage was washed and pressed. Demineralization of conservation biomass through washing and pressing was associated with higher oil yields following fast pyrolysis. The oil yields were within the published range established for the dedicated energy crops miscanthus and willow. In order to examine the potential a multiple output energy system was developed with gross power production estimates following valorisation of the press fluid, char and oil. If used in multi fuel industrial burners the char and oil alone would displace 3.9 × 10 5  tonnes per year of No. 2 light oil using Welsh biomass from conservation management. Bioenergy and product development using these feedstocks could simultaneously support biodiversity management and displace fossil fuels, thereby reducing GHG emissions. Gross power generation predictions show good potential.

Galanin-like Peptide (GALP) is a Hypothalamic Regulator of Energy Homeostasis and Reproduction

PubMed Central

Lawrence, Catherine; Fraley, Gregory S.

2010-01-01

Galanin-like peptide (GALP) was discovered in 1999 in the porcine hypothalamus and was found to be a 60 amino-acid neuropeptide. GALP shares sequence homology to galanin (1–13) in position 9–21 and can bind to, as well as activate, the three galanin receptor subtypes (GalR1-3). GALP-expressing cells are limited, and are mainly found in the arcuate nucleus of the hypothalamus (ARC) and the posterior pituitary. GALP-positive neurons in the ARC project to several brain regions where they appear to make contact with multiple neuromodulators. These neuromodulators are involved in the regulation of energy homeostasis and reproduction, anatomical evidence that suggests a role for GALP in these physiological functions. In support of this idea, GALP gene expression is regulated by several factors that reflect metabolic state including the metabolic hormones leptin and insulin, thyroid hormones, and blood glucose. Considerable evidence now exists to support the hypothesis that GALP has a role in the regulation of energy homeostasis and reproduction; and, that GALP’s role may be independent of the known galanin receptors. In this review we (1) provide an overview of the distribution of GALP, and discuss the potential relationship between GALP and other neuromodulators of energy homeostasis and reproduction, (2) discuss the metabolic factors that regulate GALP expression, (3) review the evidence for the role of GALP in energy homeostasis and reproduction, (4) discuss the potential downstream mediators and mechanisms underlying GALP’s effects, and (5) discuss the possibility that GALP may mediate it’s effects via an as yet unidentified GALP-specific receptor. PMID:20558195

Defect structures in ordered intermetallics; grain boundaries and surfaces in FeAl, NiAl, CoAl and TiAl

NASA Astrophysics Data System (ADS)

Mutasa, Batsirai Manyara

Ordered intermetallics based on transition metal aluminides have been proposed as structural materials for advanced aerospace applications. The development of these materials, which have the advantages of low density and high operating temperatures, have been focused on the aluminides of titanium, nickel and iron. Though these materials exhibit attractive properties at elevated temperatures, their utilization is limited due to their propensity for low temperature fracture and susceptibility to decreased ductility due to environmental effects. A major embrittlement mechanism at ambient temperatures in these aluminides has been by the loss of cohesive strength at the interfaces (intergranular failure). This study focuses on this mechanism of failure, by undertaking a systematic study of the energies and structures of specific grain boundaries in some of these compounds. The relaxed atomistic grain boundary structures in B2 aluminides, FeAl, NiAl and CoAl and L10 gamma-TiAl were investigated using molecular statics and embedded atom potentials in order to explore general trends for a series of B2 compounds as well as TiAl. The potentials used correctly predict the proper mechanism of compositional disorder of these compounds. Using these potentials, point defects, free surface energies and various grain boundary structures of similar energies in three B2 compounds, FeAl, NiAl and CoAl were studied. These B2 alloys exhibited increasing anti-phase boundary energies respectively. The misorientations chosen for detailed study correspond to the Sigma5(310) and Sigma5(210) boundaries. These boundaries were investigated with consideration given to possible variations in the local chemical composition. The effects of both boundary stoichiometry and bulk stoichiometry on grain boundary energetics were also considered. Defect energies were calculated for boundaries contained in both stoichiometric and off-stoichiometric bulk. The surface energies for these aluminides were also calculated so that trends concerning the cohesive energy of the boundaries could be studied. The implications of stoichiometry, the multiplicity of the boundary structures and possible transformations between them for grain boundary brittleness are also discussed.

Energy challenges in optical access and aggregation networks.

PubMed

Kilper, Daniel C; Rastegarfar, Houman

2016-03-06

Scalability is a critical issue for access and aggregation networks as they must support the growth in both the size of data capacity demands and the multiplicity of access points. The number of connected devices, the Internet of Things, is growing to the tens of billions. Prevailing communication paradigms are reaching physical limitations that make continued growth problematic. Challenges are emerging in electronic and optical systems and energy increasingly plays a central role. With the spectral efficiency of optical systems approaching the Shannon limit, increasing parallelism is required to support higher capacities. For electronic systems, as the density and speed increases, the total system energy, thermal density and energy per bit are moving into regimes that become impractical to support-for example requiring single-chip processor powers above the 100 W limit common today. We examine communication network scaling and energy use from the Internet core down to the computer processor core and consider implications for optical networks. Optical switching in data centres is identified as a potential model from which scalable access and aggregation networks for the future Internet, with the application of integrated photonic devices and intelligent hybrid networking, will emerge. © 2016 The Author(s).

Rapid high-resolution spin- and angle-resolved photoemission spectroscopy with pulsed laser source and time-of-flight spectrometer

NASA Astrophysics Data System (ADS)

Gotlieb, K.; Hussain, Z.; Bostwick, A.; Lanzara, A.; Jozwiak, C.

2013-09-01

A high-efficiency spin- and angle-resolved photoemission spectroscopy (spin-ARPES) spectrometer is coupled with a laboratory-based laser for rapid high-resolution measurements. The spectrometer combines time-of-flight (TOF) energy measurements with low-energy exchange scattering spin polarimetry for high detection efficiencies. Samples are irradiated with fourth harmonic photons generated from a cavity-dumped Ti:sapphire laser that provides high photon flux in a narrow bandwidth, with a pulse timing structure ideally matched to the needs of the TOF spectrometer. The overall efficiency of the combined system results in near-EF spin-resolved ARPES measurements with an unprecedented combination of energy resolution and acquisition speed. This allows high-resolution spin measurements with a large number of data points spanning multiple dimensions of interest (energy, momentum, photon polarization, etc.) and thus enables experiments not otherwise possible. The system is demonstrated with spin-resolved energy and momentum mapping of the L-gap Au(111) surface states, a prototypical Rashba system. The successful integration of the spectrometer with the pulsed laser system demonstrates its potential for simultaneous spin- and time-resolved ARPES with pump-probe based measurements.

Linear fixed-field multipass arcs for recirculating linear accelerators

DOE PAGES

Morozov, V. S.; Bogacz, S. A.; Roblin, Y. R.; ...

2012-06-14

Recirculating Linear Accelerators (RLA's) provide a compact and efficient way of accelerating particle beams to medium and high energies by reusing the same linac for multiple passes. In the conventional scheme, after each pass, the different energy beams coming out of the linac are separated and directed into appropriate arcs for recirculation, with each pass requiring a separate fixed-energy arc. In this paper we present a concept of an RLA return arc based on linear combined-function magnets, in which two and potentially more consecutive passes with very different energies are transported through the same string of magnets. By adjusting themore » dipole and quadrupole components of the constituting linear combined-function magnets, the arc is designed to be achromatic and to have zero initial and final reference orbit offsets for all transported beam energies. We demonstrate the concept by developing a design for a droplet-shaped return arc for a dog-bone RLA capable of transporting two beam passes with momenta different by a factor of two. Finally, we present the results of tracking simulations of the two passes and lay out the path to end-to-end design and simulation of a complete dog-bone RLA.« less

Issues in vibration energy harvesting

NASA Astrophysics Data System (ADS)

Zhang, Hui; Corr, Lawrence R.; Ma, Tianwei

2018-05-01

In this study, fundamental issues related to bandwidth and nonlinear resonance in vibrational energy harvesting devices are investigated. The results show that using bandwidth as a criterion to measure device performance can be misleading. For a linear device, an enlarged bandwidth is achieved at the cost of sacrificing device performance near resonance, and thus widening the bandwidth may offer benefits only when the natural frequency of the linear device cannot match the dominant excitation frequency. For a nonlinear device, since the principle of superposition does not apply, the ''broadband" performance improvements achieved for single-frequency excitations may not be achievable for multi-frequency excitations. It is also shown that a large-amplitude response based on the traditional ''nonlinear resonance" does not always result in the optimal performance for a nonlinear device because of the negative work done by the excitation, which indicates energy is returned back to the excitation. Such undesired negative work is eliminated at global resonance, a generalized resonant condition for both linear and nonlinear systems. While the linear resonance is a special case of global resonance for a single-frequency excitation, the maximum potential of nonlinear energy harvesting can be reached for multi-frequency excitations by using global resonance to simultaneously harvest energy distributed over multiple frequencies.

An efficient basis set representation for calculating electrons in molecules

DOE PAGES

Jones, Jeremiah R.; Rouet, Francois -Henry; Lawler, Keith V.; ...

2016-04-27

The method of McCurdy, Baertschy, and Rescigno, is generalised to obtain a straightforward, surprisingly accurate, and scalable numerical representation for calculating the electronic wave functions of molecules. It uses a basis set of product sinc functions arrayed on a Cartesian grid, and yields 1 kcal/mol precision for valence transition energies with a grid resolution of approximately 0.1 bohr. The Coulomb matrix elements are replaced with matrix elements obtained from the kinetic energy operator. A resolution-of-the-identity approximation renders the primitive one- and two-electron matrix elements diagonal; in other words, the Coulomb operator is local with respect to the grid indices. Themore » calculation of contracted two-electron matrix elements among orbitals requires only O( Nlog (N)) multiplication operations, not O( N 4), where N is the number of basis functions; N = n 3 on cubic grids. The representation not only is numerically expedient, but also produces energies and properties superior to those calculated variationally. Absolute energies, absorption cross sections, transition energies, and ionisation potentials are reported for 1- (He +, H + 2), 2- (H 2, He), 10- (CH 4), and 56-electron (C 8H 8) systems.« less

Limits to sustained energy intake. XIII. Recent progress and future perspectives.

PubMed

Speakman, John R; Król, Elżbieta

2011-01-15

Several theories have been proposed to explain limits on the maximum rate at which animals can ingest and expend energy. These limits are likely to be intrinsic to the animal, and potentially include the capacity of the alimentary tract to assimilate energy--the 'central limitation' hypothesis. Experimental evidence from lactating mice exposed to different ambient temperatures allows us to reject this and similar ideas. Two alternative ideas have been proposed. The 'peripheral limitation' hypothesis suggests that the maximal sustained energy intake reflects the summed demands of individual tissues, which have their own intrinsic limitations on capacity. In contrast, the 'heat dissipation limit' (HDL) theory suggests that animals are constrained by the maximal capacity to dissipate body heat. Abundant evidence in domesticated livestock supports the HDL theory, but data from smaller mammals are less conclusive. Here, we develop a novel framework showing how the HDL and peripheral limitations are likely to be important in all animals, but to different extents. The HDL theory makes a number of predictions--in particular that there is no fixed limit on sustained energy expenditure as a multiple of basal metabolic rate, but rather that the maximum sustained scope is positively correlated with the capacity to dissipate heat.

Multiple ligand simultaneous docking: orchestrated dancing of ligands in binding sites of protein.

PubMed

Li, Huameng; Li, Chenglong

2010-07-30

Present docking methodologies simulate only one single ligand at a time during docking process. In reality, the molecular recognition process always involves multiple molecular species. Typical protein-ligand interactions are, for example, substrate and cofactor in catalytic cycle; metal ion coordination together with ligand(s); and ligand binding with water molecules. To simulate the real molecular binding processes, we propose a novel multiple ligand simultaneous docking (MLSD) strategy, which can deal with all the above processes, vastly improving docking sampling and binding free energy scoring. The work also compares two search strategies: Lamarckian genetic algorithm and particle swarm optimization, which have respective advantages depending on the specific systems. The methodology proves robust through systematic testing against several diverse model systems: E. coli purine nucleoside phosphorylase (PNP) complex with two substrates, SHP2NSH2 complex with two peptides and Bcl-xL complex with ABT-737 fragments. In all cases, the final correct docking poses and relative binding free energies were obtained. In PNP case, the simulations also capture the binding intermediates and reveal the binding dynamics during the recognition processes, which are consistent with the proposed enzymatic mechanism. In the other two cases, conventional single-ligand docking fails due to energetic and dynamic coupling among ligands, whereas MLSD results in the correct binding modes. These three cases also represent potential applications in the areas of exploring enzymatic mechanism, interpreting noisy X-ray crystallographic maps, and aiding fragment-based drug design, respectively. 2010 Wiley Periodicals, Inc.

Forward-backward multiplicity correlations of target fragments in nucleus-emulsion collisions at a few hundred MeV/u

NASA Astrophysics Data System (ADS)

Zhang, Dong-Hai; Chen, Yan-Ling; Wang, Guo-Rong; Li, Wang-Dong; Wang, Qing; Yao, Ji-Jie; Zhou, Jian-Guo; Li, Rong; Li, Jun-Sheng; Li, Hui-Ling

2015-01-01

The forward-backward multiplicity and correlations of a target evaporated fragment (black track particle) and target recoiled proton (grey track particle) emitted from 150 A MeV 4He, 290 A MeV 12C, 400 A MeV 12C, 400 A MeV 20Ne and 500 A MeV 56Fe induced different types of nuclear emulsion target interactions are investigated. It is found that the forward and backward averaged multiplicity of a grey, black and heavily ionized track particle increases with the increase of the target size. The averaged multiplicity of a forward black track particle, backward black track particle, and backward grey track particle do not depend on the projectile size and energy, but the averaged multiplicity of a forward grey track particle increases with an increase of projectile size and energy. The backward grey track particle multiplicity distribution follows an exponential decay law and the decay constant decreases with an increase of target size. The backward-forward multiplicity correlations follow linear law which is independent of the projectile size and energy, and the saturation effect is observed in some heavy target data sets.

Impacts of Using Distributed Energy Resources to Reduce Peak Loads in Vermont

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

Ruth, Mark F.; Lunacek, Monte S.; Jones, Birk

To help the United States develop a modern electricity grid that provides reliable power from multiple resources as well as resiliency under extreme conditions, the U.S. Department of Energy (DOE) is leading the Grid Modernization Initiative (GMI) to help shape the future of the nation's grid. Under the GMI, DOE funded the Vermont Regional Initiative project to provide the technical support and analysis to utilities that need to mitigate possible impacts of increasing renewable generation required by statewide goals. Advanced control of distributed energy resources (DER) can both support higher penetrations of renewable energy by balancing controllable loads to windmore » and photovoltaic (PV) solar generation and reduce peak demand by shedding noncritical loads. This work focuses on the latter. This document reports on an experiment that evaluated and quantified the potential benefits and impacts of reducing the peak load through demand response (DR) using centrally controllable electric water heaters (EWHs) and batteries on two Green Mountain Power (GMP) feeders. The experiment simulated various hypothetical scenarios that varied the number of controllable EWHs, the amount of distributed PV systems, and the number of distributed residential batteries. The control schemes were designed with several objectives. For the first objective, the primary simulations focused on reducing the load during the independent system operator (ISO) peak when capacity charges were the primary concern. The second objective was to mitigate DR rebound to avoid new peak loads and high ramp rates. The final objective was to minimize customers' discomfort, which is defined by the lack of hot water when it is needed. We performed the simulations using the National Renewable Energy Laboratory's (NREL's) Integrated Energy System Model (IESM) because it can simulate both electric power distribution feeder and appliance end use performance and it includes the ability to simulate multiple control strategies.« less

Role of multiparton interactions on J /ψ production in p +p collisions at LHC energies

NASA Astrophysics Data System (ADS)

Thakur, Dhananjaya; De, Sudipan; Sahoo, Raghunath; Dansana, Soumya

2018-05-01

The production mechanism of quarkonia states in hadronic collisions is still to be understood by the scientific community. In high-multiplicity p +p collisions, underlying event observables are of major interest. The multiparton interactions (MPIs) are underlying event observables, in which several interactions occur at the partonic level in a single p +p event. This leads to dependence of particle production on event multiplicity. If the MPI occurs in a harder scale, there will be a correlation between the yield of quarkonia and total charged-particle multiplicity. The ALICE experiment at the LHC in p +p collisions at √{s }=7 and 13 TeV has observed an approximate linear increase of relative J /ψ yield, (d/NJ /ψ/d y ⟨d NJ /ψ/d y ⟩ ), with relative charged-particle multiplicity density, (d/Nch/d y ⟨d Nch/d y ⟩ ). In our present work, we have performed a comprehensive study of the production of charmonia as a function of charged-particle multiplicity in p +p collisions at LHC energies using the perturbative QCD-inspired multiparton interaction model, pythia8 tune 4C, with and without the color reconnection scheme. A detailed multiplicity and energy-dependent study is performed to understand the effects of MPI on J /ψ production. The ratio of ψ (2 S ) to J /ψ is also studied as a function of charged-particle multiplicity at LHC energies.

Contribution of radon and radon daughters to respiratory cancer.

PubMed Central

Harley, N; Samet, J M; Cross, F T; Hess, T; Muller, J; Thomas, D

1986-01-01

This article reviews studies on the contribution of radon and radon daughters to respiratory cancer and proposes recommendations for further research, particularly a national radon survey. The steady-state outdoor radon concentration averages 200 pCi/m3, and indoor levels are about 4 times higher. The primary source of radon in homes is the underlying soil; entry depends on multiple variables and reduced ventilation for energy conservation increases indoor radon levels. Occupational exposures are expressed in units of radon daughter potential energy concentration or working level (WL). Cumulative exposure is the product of the working level and the time exposed. The unit for cumulative exposure is the working level month (WLM). The occupational standard for radon exposure is 4 WLM/year, and 2 WLM/year has been suggested as a guideline for remedial action in homes. Epidemiologic studies show that miners with cumulative radon daughter exposures somewhat below 100 WLM have excess lung cancer mortality. Some 3% to 8% of miners studied have developed lung cancer attributable to radon daughters. All of the underground mining studies show an increased risk of lung cancer with radon daughter exposure. All cell types of lung cancer increased with radon exposure. If radon and smoking act in a multiplicative manner, then the risk for smokers could be 10 times that for nonsmokers. The potential risk of lung cancer appears to be between 1 and 2 per 10,000/WLM, which yields a significant number of lung cancers as some 220 million persons in the United States are exposed on average to 10 to 20 WLM/lifetime. PMID:3830103

Multi-Criteria Analysis for Solar Farm Location Suitability

NASA Astrophysics Data System (ADS)

Mierzwiak, Michal; Calka, Beata

2017-12-01

Currently the number of solar farms, as a type of renewable sources of energy, is growing rapidly. Photovoltaic power stations have many advantages, which is an incentive for their building and development. Solar energy is readily available and inexhaustible, and its production is environmentally friendly. In the present study multiple environmental and economic criteria were taken into account to select a potential photovoltaic farm location, with particular emphasis on: protected areas, land cover, solar radiation, slope angle, proximity to roads, built-up areas, and power lines. Advanced data analysis were used because of the multiplicity of criteria and their diverse influence on the choice of a potential location. They included the spatial analysis, the Weighted Linear Combination Technique (WLC), and the Analytic Hierarchy Process (AHP) as a decisionmaking method. The analysis was divided into two stages. In the first one, the areas where the location of solar farms was not possible were excluded. In the second one, the best locations meeting all environmental and economic criteria were selected. The research was conducted for the Legionowo District, using data from national surveying and mapping resources such as: BDOT10k (Database of Topographic Objects), NMT (Numerical Terrain Model), and lands and buildings register. Finally, several areas meeting the criteria were chosen. The research deals with solar farms with up to 40 kW power. The results of the study are presented as thematic maps. The advantage of the method is its versatility. It can be used not only for any area, but with little modification of the criteria, it can also be applied to choose a location for wind farms.

The multiple universes of estrogen-related receptor α and γ in metabolic control and related diseases

PubMed Central

Audet-walsh, Étienne; Giguére, Vincent

2015-01-01

The identification of the estrogen-related receptors (ERRs) as the first orphan nuclear receptors ignited a new era in molecular endocrinology, which led to the discovery of new ligand-dependent response systems. Although ERR subfamily members have yet to be associated with a natural ligand, the characterization of these orphan receptors has demonstrated that they occupy a strategic node in the transcriptional control of cellular energy metabolism. In particular, ERRs are required for the response to various environmental challenges that require high energy levels by the organism. As central regulators of energy homeostasis, ERRs may also be implicated in the etiology of metabolic disorders, such as type 2 diabetes and metabolic syndrome. Here, we review the recent evidence that further highlights the role of ERRs in metabolic control, particularly in liver and skeletal muscle, and their likely involvement in metabolic diseases. Consequently, we also explore the promises and pitfalls of ERRs as potential therapeutic targets. PMID:25500872

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

Bustamante, Mauricio; Heinze, Jonas; Winter, Walter

Gamma-ray bursts (GRBs) are promising as sources of neutrinos and cosmic rays. In the internal shock scenario, blobs of plasma emitted from a central engine collide within a relativistic jet and form shocks, leading to particle acceleration and emission. Motivated by present experimental constraints and sensitivities, we improve the predictions of particle emission by investigating time-dependent effects from multiple shocks. We produce synthetic light curves with different variability timescales that stem from properties of the central engine. For individual GRBs, qualitative conclusions about model parameters, neutrino production efficiency, and delays in high-energy gamma-rays can be deduced from inspection of themore » gamma-ray light curves. GRBs with fast time variability without additional prominent pulse structure tend to be efficient neutrino emitters, whereas GRBs with fast variability modulated by a broad pulse structure can be inefficient neutrino emitters and produce delayed high-energy gamma-ray signals. Our results can be applied to quantitative tests of the GRB origin of ultra-high-energy cosmic rays, and have the potential to impact current and future multi-messenger searches.« less

Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

PubMed

Meng, Yilin; Roux, Benoît

2015-08-11

The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost.

Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression

PubMed Central

2015-01-01

The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost. PMID:26574437

Transparent lithium-ion batteries

PubMed Central

Yang, Yuan; Jeong, Sangmoo; Hu, Liangbing; Wu, Hui; Lee, Seok Woo; Cui, Yi

2011-01-01

Transparent devices have recently attracted substantial attention. Various applications have been demonstrated, including displays, touch screens, and solar cells; however, transparent batteries, a key component in fully integrated transparent devices, have not yet been reported. As battery electrode materials are not transparent and have to be thick enough to store energy, the traditional approach of using thin films for transparent devices is not suitable. Here we demonstrate a grid-structured electrode to solve this dilemma, which is fabricated by a microfluidics-assisted method. The feature dimension in the electrode is below the resolution limit of human eyes, and, thus, the electrode appears transparent. Moreover, by aligning multiple electrodes together, the amount of energy stored increases readily without sacrificing the transparency. This results in a battery with energy density of 10 Wh/L at a transparency of 60%. The device is also flexible, further broadening their potential applications. The transparent device configuration also allows in situ Raman study of fundamental electrochemical reactions in batteries. PMID:21788483

Supersonic shear flows in laser driven high-energy-density plasmas created by the Nike laser

NASA Astrophysics Data System (ADS)

Harding, E. C.; Drake, R. P.; Gillespie, R. S.; Grosskopf, M. J.; Ditmar, J. R.; Aglitskiy, Y.; Weaver, J. L.; Velikovich, A. L.; Plewa, T.

2008-11-01

In high-energy-density (HED) plasmas the Kelvin-Helmholtz (KH) instability plays an important role in the evolution of Rayleigh-Taylor (RT) and Richtmyer-Meshkov (RM) unstable interfaces, as well as material interfaces that experience the passage one or multiple oblique shocks. Despite the potentially important role of the KH instability few experiments have been carried out to explore its behavior in the high-energy-density regime. We report on the evolution of a supersonic shear flow that is generated by the release of a high velocity (>100 km/s) aluminum plasma onto a CRF foam (ρ = 0.1 g/cc) surface. In order to seed the Kelvin-Helmholtz (KH) instability various two-dimensional sinusoidal perturbations (λ = 100, 200, and 300 μm with peak-to-valley amplitudes of 10, 20, and 30 μm respectively) have been machined into the foam surface. This experiment was performed using the Nike laser at the Naval Research Laboratory.

What is the valence of Mn in Ga 1-xMn xN?

DOE PAGES

Berlijn, Tom; Jarrell, Mark; Nelson, Ryky; ...

2015-11-04

Motivated by the potential high Curie temperature of Ga 1-xMn xN, we investigate the controversial Mn valence in this diluted magnetic semiconductor. From a first-principles Wannier-function analysis of the high energy Hilbert space, we find unambiguously the Mn valence to be close to 2+(d 5), but in a mixed spin configuration with average magnetic moments of 4µ B. By integrating out high-energy degrees of freedom differently, we further demonstrate the feasibility of both effective d 4 and d 5 descriptions. These two descriptions offer simple pictures for local and extended properties of the system, and highlight the dual nature ofmore » its doped hole. Specifically, in the effective d 5 description, we demonstrate novel physical effects absent in previous studies. Thus, our derivation highlights the richness of low-energy sectors in interacting many-body systems and the generic need for multiple effective descriptions.« less

Leptin action through hypothalamic nitric oxide synthase-1-expressing neurons controls energy balance.

PubMed

Leshan, Rebecca L; Greenwald-Yarnell, Megan; Patterson, Christa M; Gonzalez, Ian E; Myers, Martin G

2012-05-01

Few effective measures exist to combat the worldwide obesity epidemic(1), and the identification of potential therapeutic targets requires a deeper understanding of the mechanisms that control energy balance. Leptin, an adipocyte-derived hormone that signals the long-term status of bodily energy stores, acts through multiple types of leptin receptor long isoform (LepRb)-expressing neurons (called here LepRb neurons) in the brain to control feeding, energy expenditure and endocrine function(2-4). The modest contributions to energy balance that are attributable to leptin action in many LepRb populations(5-9) suggest that other previously unidentified hypothalamic LepRb neurons have key roles in energy balance. Here we examine the role of LepRb in neuronal nitric oxide synthase (NOS1)-expressing LebRb (LepRb(NOS1)) neurons that comprise approximately 20% of the total hypothalamic LepRb neurons. Nos1(cre)-mediated genetic ablation of LepRb (Lepr(Nos1KO)) in mice produces hyperphagic obesity, decreased energy expenditure and hyperglycemia approaching that seen in whole-body LepRb-null mice. In contrast, the endocrine functions in Lepr(Nos1KO) mice are only modestly affected by the genetic ablation of LepRb in these neurons. Thus, hypothalamic LepRb(NOS1) neurons are a key site of action of the leptin-mediated control of systemic energy balance.

Association of food form with self-reported 24-h energy intake and meal patterns in US adults: NHANES 2003–2008123

PubMed Central

Kant, Ashima K; Graubard, Barry I; Mattes, Richard D

2012-01-01

Background: Laboratory studies suggest that food form (beverages compared with solid foods) evokes behavioral and physiologic responses that modify short-term appetite and food intake. Beverage energy may be less satiating and poorly compensated, which leads to higher energy intake. Objective: We examined associations between 24-h energy consumed in beverages and a variety of meal and dietary attributes to quantify the contribution of beverage consumption to the energy content of diets in free-living individuals consuming their self-selected diets. Design: We used dietary recall data for adults (n = 13,704) in NHANES 2003–2008 to examine the multiple covariate-adjusted associations between 24-h energy from beverages and nonbeverages and associations between beverage intake, eating behaviors, and the energy density of beverage and nonbeverage foods. Results: In the highest tertile of 24-h beverage energy intake, beverages provided >30% of energy. Total 24-h energy and nonbeverage energy consumption and energy density (kcal/g) of both beverage and nonbeverage foods increased with increasing energy from beverages (P < 0.0001). With increasing 24-h beverage energy consumption, the reported frequency of all, snack, and beverage-only ingestive episodes and length of the ingestive period increased, whereas the percentage of energy from main meals decreased (P < 0.0001). Conclusions: Higher 24-h beverage energy intake was related to higher energy intake from nonbeverage foods, quality of food selections, and distribution of 24-h energy into main meal and snack episodes. Moderation of beverage-only ingestive episodes and curtailing the length of the ingestion period may hold potential to lower uncompensated beverage energy consumption in the US population. PMID:23097271

Modelling impacts of second generation bioenergy production on Ecosystem Services in Europe

NASA Astrophysics Data System (ADS)

Henner, D. N.; Smith, P.; Davies, C.; McNamara, N. P.

2016-12-01

Bioenergy crops are an important source of renewable energy and likely to play a major role in transitioning to a lower CO2 energy system. There is, however, uncertainty about the impacts of the growth of bioenergy crops on broader sustainability encompassed by ecosystem services, further enhanced by ongoing climate change. The goal of this project is to develop a comprehensive model that covers ecosystem services at a continental scale including biodiversity and pollination, water and air security, erosion control and soil security, GHG emissions, soil C and cultural services like tourism value. The technical distribution potential and likely yield of second generation energy crops, such as Miscanthus, Short Rotation Coppice (SRC; willow and poplar) was modelled using ECOSSE, DayCent, SalixFor and MiscanFor models. In addition, methods like water footprint tools, tourism value maps and ecosystem valuation tools and models are utilised. We will present results for synergies and trade-offs between land use change and ecosystem services, impact on food security and land management. Further, we will show modelled yield maps for different cultivars of Miscanthus, willow and poplar in Europe and constraint/opportunity maps based on projected yield and other factors e.g. total economic value, technical potential, current land use, climate change and trade-offs and synergies. It will be essential to include multiple ecosystem services when assessing the potential for bioenergy production/expansion that does not impact other land uses or provisioning services. Considering that the soil GHG balance is dominated by change in soil organic carbon (SOC) and the difference among Miscanthus and SRC is largely determined by yield, an important target for management of perennial energy crops is to achieve the best possible yield using the most appropriate energy crop and cultivar for the local situation. This research could inform future policy decisions on bioenergy crops in Europe.

A simulation-based study on different control strategies for variable speed pump in distributed ground source heat pump systems

DOE PAGES

Liu, Xiaobing; Zheng, O'Neill; Niu, Fuxin

2016-01-01

Most commercial ground source heat pump systems (GSHP) in the United States are in a distributed configuration. These systems circulate water or an anti-freeze solution through multiple heat pump units via a central pumping system, which usually uses variable speed pump(s). Variable speed pumps have potential to significantly reduce pumping energy use; however, the energy savings in reality could be far away from its potential due to improper pumping system design and controls. In this paper, a simplified hydronic pumping system was simulated with the dynamic Modelica models to evaluate three different pumping control strategies. This includes two conventional controlmore » strategies, which are to maintain a constant differential pressure across either the supply and return mains, or at the most hydraulically remote heat pump; and an innovative control strategy, which adjusts system flow rate based on the demand of each heat pump. The simulation results indicate that a significant overflow occurs at part load conditions when the variable speed pump is controlled to main a constant differential pressure across the supply and return mains of the piping system. On the other hand, an underflow occurs at part load conditions when the variable speed pump is controlled to maintain a constant differential pressure across the furthest heat pump. The flow-demand-based control can provide needed flow rate to each heat pump at any given time, and with less pumping energy use than the two conventional controls. Finally, a typical distributed GSHP system was studied to evaluate the energy saving potential of applying the flow-demand-based pumping control strategy. This case study shows that the annual pumping energy consumption can be reduced by 62% using the flow-demand-based control compared with that using the conventional pressure-based control to maintain a constant differential pressure a cross the supply and return mains.« less

X-Ray and near-infrared imaging: similarities, differences and combinations

NASA Astrophysics Data System (ADS)

Pogue, Brian W.

2010-02-01

The integration of x-ray imaging with optical imaging is becoming routine at the pre-clinical level, as both projection and tomography systems are now commercially integrated as packaged systems. Yet, the differences between their capabilities are wide, and there is still perhaps a lack of appreciation about how difference pre-clinical x-ray systems are from clinical x-ray systems. In this survey, the key advantages of each approach, x-ray and optical, are described, and the potential synergies and deficiencies are discussed. In simple terms, the major benefit of optical imaging is in the spectroscopic capabilities, which allow the potential for imaging fluorescent agents in vivo, and the future potential for imaging multiple species at a time with spectral discrimination or spectral fitting of the data. In comparison, multienergy x-ray systems are being realized in clinical use, or automated discrimination of soft versus hard tissues, and the combination of optical imaging with this type of dual-energy x-ray imaging will significantly enhance the capabilities of the hybrid systems. Unfortunately, the power of dual energy imaging is not as possible at the pre-clinical stage, because of the limitations of contrast-resolution and x-ray dose. This is discussed and future human systems outlined.

Computer-aided identification of potential TYK2 inhibitors from drug database

NASA Astrophysics Data System (ADS)

Zhang, Wei; Li, Jianzong; Huang, Zhixin; Wang, Haiyang; Luo, Hao; Wang, Xin; Zhou, Nan; Wu, Chuanfang; Bao, Jinku

2016-10-01

TYK2 is a member of JAKs family protein tyrosine kinase activated in response to various cytokines. It plays a crucial role in transducing signals downstream of various cytokine receptors, which are involved in proinflammatory responses associated with immunological diseases. Thus, the study of selective TYK2 inhibitors is one of the most popular fields in anti-inflammation drug development. Herein, we adopted molecular docking, molecular dynamics simulation and MM-PBSA binding free energy calculation to screen potential TYK2-selective inhibitors from ZINC Drug Database. Finally, three small molecule drugs ZINC12503271 (Gemifloxacin), ZINC05844792 (Nebivolol) and ZINC00537805 (Glyburide) were selected as potential TYK2-selective inhibitors. Compared to known inhibitor 2,6-dichloro-N-{2-[(cyclopropylcarbonyl)amino]pyridin-4-yl}benzamide, these three candidates had better Grid score and Amber score from molecular docking and preferable results from binding free energy calculation as well. What's more, the ATP-binding site and A-loop motif had been identified to play key roles in TYK2-targeted inhibitor discovery. It is expected that our study will pave the way for the design of potent TYK2 inhibitors of new drugs to treat a wide variety of immunological diseases such as inflammatory diseases, multiple sclerosis, psoriasis inflammatory bowel disease (IBD) and so on.

Mobile phones, mobile phone base stations and cancer: a review.

PubMed

Moulder, J E; Foster, K R; Erdreich, L S; McNamee, J P

2005-03-01

There have been reports in the media and claims in the courts that radiofrequency (RF) emissions from mobile phones are a cause of cancer, and there have been numerous public objections to the siting of mobile phone base antennas because of a fear of cancer. This review summarizes the current state of evidence concerning whether the RF energy used for wireless communication might be carcinogenic. Relevant studies were identified by searching MedLine with a combination of exposure and endpoint terms. This was supplemented by a review of the over 1700 citations assembled by the Institute of Electrical and Electronics Engineers (IEEE) International Committee on Electromagnetic Safety as part of their updating of the IEEE C95.1 RF energy safety guidelines. Where there were multiple studies, preference was given to recent reports, to positive reports of effects and to attempts to confirm such positive reports. Biophysical considerations indicate that there is little theoretical basis for anticipating that RF energy would have significant biological effects at the power levels used by modern mobile phones and their base station antennas. The epidemiological evidence for a causal association between cancer and RF energy is weak and limited. Animal studies have provided no consistent evidence that exposure to RF energy at non-thermal intensities causes or promotes cancer. Extensive in vitro studies have found no consistent evidence of genotoxic potential, but in vitro studies assessing the epigenetic potential of RF energy are limited. Overall, a weight-of-evidence evaluation shows that the current evidence for a causal association between cancer and exposure to RF energy is weak and unconvincing. However, the existing epidemiology is limited and the possibility of epigenetic effects has not been thoroughly evaluated, so that additional research in those areas will be required for a more thorough assessment of the possibility of a causal connection between cancer and the RF energy from mobile telecommunications.

Studies on energy transfer in dendrimer supermolecule using classical random walk model and Eyring model

NASA Astrophysics Data System (ADS)

Rana, Dipankar; Gangopadhyay, Gautam

2003-01-01

We have analyzed the energy transfer process in a dendrimer supermolecule using a classical random walk model and an Eyring model of membrane permeation. Here the energy transfer is considered as a multiple barrier crossing process by thermal hopping on the backbone of a cayley tree. It is shown that the mean residence time and mean first passage time, which involve explicit local escape rates, depend upon the temperature, size of the molecule, core branching, and the nature of the potential energy landscape along the cayley tree architecture. The effect of branching tries to create a uniform distribution of mean residence time over the generations and the distribution depends upon the interplay of funneling and local rates of transitions. The calculation of flux at the steady state from the Eyring model also gives a useful idea about the rate when the dendrimeric system is considered as an open system where the core is absorbing the transported energy like a photosynthetic reaction center and a continuous supply of external energy is maintained at the peripheral nodes. The effect of the above parameters of the system are shown to depend on the steady-state flux that has a qualitative resemblence with the result of the mean first passage time approach.

Exploring Photoinduced Excited State Evolution in Heterobimetallic Ru(II)-Co(III) Complexes.

PubMed

Kuhar, Korina; Fredin, Lisa A; Persson, Petter

2015-06-18

Quantum chemical calculations provide detailed theoretical information concerning key aspects of photoinduced electron and excitation transfer processes in supramolecular donor-acceptor systems, which are particularly relevant to fundamental charge separation in emerging molecular approaches for solar energy conversion. Here we use density functional theory (DFT) calculations to explore the excited state landscape of heterobimetallic Ru-Co systems with varying degrees of interaction between the two metal centers, unbound, weakly bound, and tightly bound systems. The interplay between structural and electronic factors involved in various excited state relaxation processes is examined through full optimizations of multiple charge/spin states of each of the investigated systems. Low-energy relaxed heterobimetallic states of energy transfer and excitation transfer character are characterized in terms of energy, structure, and electronic properties. These findings support the notion of efficient photoinduced charge separation from a Ru(II)-Co(III) ground state, via initial optical excitation of the Ru-center, to low-energy Ru(III)-Co(II) states. The strongly coupled system has significant involvement of the conjugated bridge, qualitatively distinguishing it from the other two weakly coupled systems. Finally, by constructing potential energy surfaces for the three systems where all charge/spin state combinations are projected onto relevant reaction coordinates, excited state decay pathways are explored.

Multiple piezo-patch energy harvesters on a thin plate with respective AC-DC conversion

NASA Astrophysics Data System (ADS)

Aghakhani, Amirreza; Basdogan, Ipek

2018-03-01

Piezoelectric patch energy harvesters can be directly integrated to plate-like structures which are widely used in automotive, marine and aerospace applications, to convert vibrational energy to electrical energy. This paper presents two different AC-DC conversion techniques for multiple patch harvesters, namely single rectifier and respective rectifiers. The first case considers all the piezo-patches are connected in parallel to a single rectifier, whereas in the second case, each harvester is respectively rectified and then connected in parallel to a smoothing capacitor and a resistive load. The latter configuration of AC-DC conversion helps to avoid the electrical charge cancellation which is a problem with the multiple harvesters attached to different locations of the host plate surface. Equivalent circuit model of the multiple piezo-patch harvesters is developed in the SPICE software to simulate the electrical response. The system parameters are obtained from the modal analysis solution of the plate. Simulations of the voltage frequency response functions (FRFs) for the standard AC input - AC output case are conducted and validated by experimental data. Finally, for the AC input - DC output case, numerical simulation and experimental results of the power outputs of multiple piezo-patch harvesters with multiple AC-DC converters are obtained for a wide range of resistive loads and compared with the same array of harvesters connected to a single AC-DC converter.

Comparison of carrier multiplication yields in PbS and PbSe nanocrystals: the role of competing energy-loss processes.

PubMed

Stewart, John T; Padilha, Lazaro A; Qazilbash, M Mumtaz; Pietryga, Jeffrey M; Midgett, Aaron G; Luther, Joseph M; Beard, Matthew C; Nozik, Arthur J; Klimov, Victor I

2012-02-08

Infrared band gap semiconductor nanocrystals are promising materials for exploring generation III photovoltaic concepts that rely on carrier multiplication or multiple exciton generation, the process in which a single high-energy photon generates more than one electron-hole pair. In this work, we present measurements of carrier multiplication yields and biexciton lifetimes for a large selection of PbS nanocrystals and compare these results to the well-studied PbSe nanocrystals. The similar bulk properties of PbS and PbSe make this an important comparison for discerning the pertinent properties that determine efficient carrier multiplication. We observe that PbS and PbSe have very similar biexciton lifetimes as a function of confinement energy. Together with the similar bulk properties, this suggests that the rates of multiexciton generation, which is the inverse of Auger recombination, are also similar. The carrier multiplication yields in PbS nanocrystals, however, are strikingly lower than those observed for PbSe nanocrystals. We suggest that this implies the rate of competing processes, such as phonon emission, is higher in PbS nanocrystals than in PbSe nanocrystals. Indeed, our estimations for phonon emission mediated by the polar Fröhlich-type interaction indicate that the corresponding energy-loss rate is approximately twice as large in PbS than in PbSe. © 2011 American Chemical Society

Irregular large-scale computed tomography on multiple graphics processors improves energy-efficiency metrics for industrial applications

NASA Astrophysics Data System (ADS)

Jimenez, Edward S.; Goodman, Eric L.; Park, Ryeojin; Orr, Laurel J.; Thompson, Kyle R.

2014-09-01

This paper will investigate energy-efficiency for various real-world industrial computed-tomography reconstruction algorithms, both CPU- and GPU-based implementations. This work shows that the energy required for a given reconstruction is based on performance and problem size. There are many ways to describe performance and energy efficiency, thus this work will investigate multiple metrics including performance-per-watt, energy-delay product, and energy consumption. This work found that irregular GPU-based approaches1 realized tremendous savings in energy consumption when compared to CPU implementations while also significantly improving the performance-per- watt and energy-delay product metrics. Additional energy savings and other metric improvement was realized on the GPU-based reconstructions by improving storage I/O by implementing a parallel MIMD-like modularization of the compute and I/O tasks.

Optical rectenna operation: where Maxwell meets Einstein

NASA Astrophysics Data System (ADS)

Joshi, Saumil; Moddel, Garret

2016-07-01

Optical rectennas are antenna-coupled diode rectifiers that receive and convert optical-frequency electromagnetic radiation into DC output. The analysis of rectennas is carried out either classically using Maxwell’s wave-like approach, or quantum-mechanically using Einstein’s particle-like approach for electromagnetic radiation. One of the characteristics of classical operation is that multiple photons transfer their energy to individual electrons, whereas in quantum operation each photon transfers its energy to each electron. We analyze the correspondence between the two approaches by comparing rectenna response first to monochromatic illumination obtained using photon-assisted tunnelling theory and classical theory. Applied to broadband rectenna operation, this correspondence provides clues to designing a rectenna solar cell that has the potential to exceed the 44% quantum-limited conversion efficiency. The comparison of operating regimes shows how optical rectenna operation differs from microwave rectenna operation.

Constructing diabatic states from adiabatic states: Extending generalized Mulliken-Hush to multiple charge centers with Boys localization

NASA Astrophysics Data System (ADS)

Subotnik, Joseph E.; Yeganeh, Sina; Cave, Robert J.; Ratner, Mark A.

2008-12-01

This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

Constructing diabatic states from adiabatic states: extending generalized Mulliken-Hush to multiple charge centers with boys localization.

PubMed

Subotnik, Joseph E; Yeganeh, Sina; Cave, Robert J; Ratner, Mark A

2008-12-28

This article shows that, although Boys localization is usually applied to single-electron orbitals, the Boys method itself can be applied to many electron molecular states. For the two-state charge-transfer problem, we show analytically that Boys localization yields the same charge-localized diabatic states as those found by generalized Mulliken-Hush theory. We suggest that for future work in electron transfer, where systems have more than two charge centers, one may benefit by using a variant of Boys localization to construct diabatic potential energy surfaces and extract electronic coupling matrix elements. We discuss two chemical examples of Boys localization and propose a generalization of the Boys algorithm for creating diabatic states with localized spin density that should be useful for Dexter triplet-triplet energy transfer.

DOE SBIR Phase II Final Technical Report - Assessing Climate Change Effects on Wind Energy

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

Whiteman, Cameron; Capps, Scott

Specialized Vertum Partners software tools were prototyped, tested and commercialized to allow wind energy stakeholders to assess the uncertainties of climate change on wind power production and distribution. This project resulted in three commercially proven products and a marketing tool. The first was a Weather Research and Forecasting Model (WRF) based resource evaluation system. The second was a web-based service providing global 10m wind data from multiple sources to wind industry subscription customers. The third product addressed the needs of our utility clients looking at climate change effects on electricity distribution. For this we collaborated on the Santa Ana Wildfiremore » Threat Index (SAWTi), which was released publicly last quarter. Finally to promote these products and educate potential users we released “Gust or Bust”, a graphic-novel styled marketing publication.« less

Energy Analysis of a Complementary Heating System Combining Solar Energy and Coal for a Rural Residential Building in Northwest China

PubMed Central

Zhen, Xiaofei; Abdalla Osman, Yassir Idris; Feng, Rong; Zhang, Xuemin

2018-01-01

In order to utilize solar energy to meet the heating demands of a rural residential building during the winter in the northwestern region of China, a hybrid heating system combining solar energy and coal was built. Multiple experiments to monitor its performance were conducted during the winter in 2014 and 2015. In this paper, we analyze the efficiency of the energy utilization of the system and describe a prototype model to determine the thermal efficiency of the coal stove in use. Multiple linear regression was adopted to present the dual function of multiple factors on the daily heat-collecting capacity of the solar water heater; the heat-loss coefficient of the storage tank was detected as well. The prototype model shows that the average thermal efficiency of the stove is 38%, which means that the energy input for the building is divided between the coal and solar energy, 39.5% and 60.5% energy, respectively. Additionally, the allocation of the radiation of solar energy projecting into the collecting area of the solar water heater was obtained which showed 49% loss with optics and 23% with the dissipation of heat, with only 28% being utilized effectively. PMID:29651424

Absolute binding free energies between T4 lysozyme and 141 small molecules: calculations based on multiple rigid receptor configurations

PubMed Central

Xie, Bing; Nguyen, Trung Hai; Minh, David D. L.

2017-01-01

We demonstrate the feasibility of estimating protein-ligand binding free energies using multiple rigid receptor configurations. Based on T4 lysozyme snapshots extracted from six alchemical binding free energy calculations with a flexible receptor, binding free energies were estimated for a total of 141 ligands. For 24 ligands, the calculations reproduced flexible-receptor estimates with a correlation coefficient of 0.90 and a root mean square error of 1.59 kcal/mol. The accuracy of calculations based on Poisson-Boltzmann/Surface Area implicit solvent was comparable to previously reported free energy calculations. PMID:28430432

Impact of biexcitons on the relaxation mechanisms of polaritons in III-nitride based multiple quantum well microcavities

NASA Astrophysics Data System (ADS)

Corfdir, P.; Levrat, J.; Rossbach, G.; Butté, R.; Feltin, E.; Carlin, J.-F.; Christmann, G.; Lefebvre, P.; Ganière, J.-D.; Grandjean, N.; Deveaud-Plédran, B.

2012-06-01

We report on the direct observation of biexcitons in a III-nitride based multiple quantum well microcavity operating in the strong light-matter coupling regime by means of nonresonant continuous wave and time-resolved photoluminescence at low temperature. First, the biexciton dynamics is investigated for the bare active medium (multiple quantum wells alone) evidencing localization on potential fluctuations due to alloy disorder and thermalization between both localized and free excitonic and biexcitonic populations. Then, the role of biexcitons is considered for the full microcavity: in particular, we observe that for specific detunings the bottom of the lower polariton branch is directly fed by the radiative dissociation of either cavity biexcitons or excitons mediated by one LO-phonon. Accordingly, minimum polariton lasing thresholds are observed, when the bottom of the lower polariton branch corresponds in energy to the exciton or cavity biexciton first LO-phonon replica. This singular observation highlights the role of excitonic molecules in the polariton condensate formation process as being a more efficient relaxation channel when compared to the usually assumed acoustical phonon emission one.

Specific Hardening Function Definition and Characterization of a Multimechanism Generalized Potential-based Viscoelastoplasticity Model

NASA Technical Reports Server (NTRS)

Arnold, S. M.; Saleeb, A. F.

2003-01-01

Given the previous complete-potential structure framework together with the notion of strain- and stress-partitioning in terms of separate contributions of several submechanisms (viscoelastic and viscoplastic) to the thermodynamic functions (stored energy and dissipation) a detailed viscoelastoplastic multimechanism characterization of a specific hardening functional form of the model is presented and discussed. TIMETAL 21S is the material of choice as a comprehensive test matrix, including creep, relaxation, constant strain-rate tension tests, etc. are available at various temperatures. Discussion of these correlations tests, together with comparisons to several other experimental results, are given to assess the performance and predictive capabilities of the present model particularly with regard to the notion of hardening saturation as well as the interaction of multiplicity of dissipative (reversible/irreversible) mechanisms.

Coulomb bound states of strongly interacting photons

DOE PAGES

Maghrebi, M. F.; Gullans, Michael J.; Bienias, P.; ...

2015-09-16

We show that two photons coupled to Rydberg states via electromagnetically induced transparency (EIT) can interact via an effective Coulomb potential. The interaction then gives rise to a continuum of two-body bound states. Within the continuum, metastable bound states are distinguished in analogy with quasi-bound states tunneling through a potential barrier. We find multiple branches of metastable bound states whose energy spectrum is governed by the Coulomb problem, thus obtaining a photonic analogue of the hydrogen atom. These states propagate with a negative group velocity in the medium, which allows for a simple preparation and detection scheme, before they slowlymore » decay to pairs of bound Rydberg atoms. As a result, we verify the metastability and backward propagation of these Coulomb bound states with exact numerical simulations.« less

Crystal collimator systems for high energy frontier

NASA Astrophysics Data System (ADS)

Sytov, A. I.; Tikhomirov, V. V.; Lobko, A. S.

2017-07-01

Crystalline collimators can potentially considerably improve the cleaning performance of the presently used collimator systems using amorphous collimators. A crystal-based collimation scheme which relies on the channeling particle deflection in bent crystals has been proposed and extensively studied both theoretically and experimentally. However, since the efficiency of particle capture into the channeling regime does not exceed ninety percent, this collimation scheme partly suffers from the same leakage problems as the schemes using amorphous collimators. To improve further the cleaning efficiency of the crystal-based collimation system to meet the requirements of the FCC, we suggest here a double crystal-based collimation scheme, to which the second crystal is introduced to enhance the deflection of the particles escaping the capture to the channeling regime in its first crystal. The application of the effect of multiple volume reflection in one bent crystal and of the same in a sequence of crystals is simulated and compared for different crystal numbers and materials at the energy of 50 TeV. To enhance also the efficiency of use of the first crystal of the suggested double crystal-based scheme, we propose: the method of increase of the probability of particle capture into the channeling regime at the first crystal passage by means of fabrication of a crystal cut and the method of the amplification of nonchanneled particle deflection through the multiple volume reflection in one bent crystal, accompanying the particle channeling by a skew plane. We simulate both of these methods for the 50 TeV FCC energy.

Coherent combining pulse bursts in time domain

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

Galvanauskas, Almantas

A beam combining and pulse stacking technique is provided that enhances laser pulse energy by coherent stacking pulse bursts (i.e. non-periodic pulsed signals) in time domain. This energy enhancement is achieved by using various configurations of Fabry-Perot, Gires-Tournois and other types of resonant cavities, so that a multiple-pulse burst incident at either a single input or multiple inputs of the system produces an output with a solitary pulse, which contains the summed energy of the incident multiple pulses from all beams. This disclosure provides a substantial improvement over conventional coherent-combining methods in that it achieves very high pulse energies usingmore » a relatively small number of combined laser systems, thus providing with orders of magnitude reduction in system size, complexity, and cost compared to current combining approaches.« less

Challenges and opportunities for implementing sustainable energy strategies in coastal communities of Baja California Sur, Mexico

NASA Astrophysics Data System (ADS)

Etcheverry, Jose R.

This dissertation explores the potential of renewable energy and efficiency strategies to solve the energy challenges faced by the people living in the biosphere reserve of El Vizcaino, which is located in the North Pacific region of the Mexican state of Baja California Sur. This research setting provides a practical analytical milieu to understand better the multiple problems faced by practitioners and agencies trying to implement sustainable energy solutions in Mexico. The thesis starts with a literature review (chapter two) that examines accumulated international experience regarding the development of renewable energy projects as a prelude to identifying the most salient implementation barriers impeding this type of initiatives. Two particularly salient findings from the literature review include the importance of considering gender issues in energy analysis and the value of using participatory research methods. These findings informed fieldwork design and the analytical framework of the dissertation. Chapter three surveys electricity generation as well as residential and commercial electricity use in nine coastal communities located in El Vizcaino. Chapter three summarizes the fieldwork methodology used, which relies on a mix of qualitative and quantitative research methods that aim at enabling a gender-disaggregated analysis to describe more accurately local energy uses, needs, and barriers. Chapter four describes the current plans of the state government, which are focused in expanding one of the state's diesel-powered electricity grids to El Vizcaino. The Chapter also examines the potential for replacing diesel generators with a combination of renewable energy systems and efficiency measures in the coastal communities sampled. Chapter five analyzes strategies to enable the implementation of sustainable energy approaches in El Vizcaino. Chapter five highlights several international examples that could be useful to inform organizational changes at the federal and state level aimed at fostering renewable energy and efficiency initiatives that enhance energy security, protect the environment, and also increase economic opportunities in El Vizcaino and elsewhere in Mexico. Chapter six concludes the thesis by providing: a summary of all key findings, a broad analysis of the implications of the research, and an overview of future lines of inquiry.

Global minimum profile error (GMPE) - a least-squares-based approach for extracting macroscopic rate coefficients for complex gas-phase chemical reactions.

PubMed

Duong, Minh V; Nguyen, Hieu T; Mai, Tam V-T; Huynh, Lam K

2018-01-03

Master equation/Rice-Ramsperger-Kassel-Marcus (ME/RRKM) has shown to be a powerful framework for modeling kinetic and dynamic behaviors of a complex gas-phase chemical system on a complicated multiple-species and multiple-channel potential energy surface (PES) for a wide range of temperatures and pressures. Derived from the ME time-resolved species profiles, the macroscopic or phenomenological rate coefficients are essential for many reaction engineering applications including those in combustion and atmospheric chemistry. Therefore, in this study, a least-squares-based approach named Global Minimum Profile Error (GMPE) was proposed and implemented in the MultiSpecies-MultiChannel (MSMC) code (Int. J. Chem. Kinet., 2015, 47, 564) to extract macroscopic rate coefficients for such a complicated system. The capability and limitations of the new approach were discussed in several well-defined test cases.

Cosmic Ray Acceleration from Multiple Galactic Wind Shocks

NASA Astrophysics Data System (ADS)

Cotter, Cory; Bustard, Chad; Zweibel, Ellen

2018-01-01

Cosmic rays still have an unknown origin. Many mechanisms have been suggested for their acceleration including quasars, pulsars, magnetars, supernovae, supernova remnants, and galactic termination shocks. The source of acceleration may be a mixture of these and a different mixture in different energy regimes. Using numerical simulations, we investigate multiple shocks in galactic winds as potential cosmic rays sources. By having shocks closer to the parent galaxy, more particles may diffuse back to the disk instead of being blown out in the wind, as found in Bustard, Zweibel, and Cotter (2017, ApJ) and also Merten, Bustard, Zweibel, and Tjus (to be submitted to ApJ). Specifically, this flux of cosmic rays could contribute to the unexplained "shin" region between the well-known "knee" and "ankle" of the cosmic ray spectrum. We would like to acknowledge support from the National Science Foundation (NSF) Graduate Research Fellowship Program under grant No. DGE-125625 and NSF grant No. AST-1616037.

Simultaneous measurement of multiple radiation-induced protein expression profiles using the Luminex(TM) system

NASA Technical Reports Server (NTRS)

Desai, N.; Wu, H.; George, K.; Gonda, S. R.; Cucinotta, F. A.; Cucniotta, F. A. (Principal Investigator)

2004-01-01

Space flight results in the exposure of astronauts to a mixed field of radiation composed of energetic particles of varying energies, and biological indicators of space radiation exposure provides a better understanding of the associated long-term health risks. Current methods of biodosimetry have employed the use of cytogenetic analysis for biodosimetry, and more recently the advent of technological progression has led to advanced research in the use of genomic and proteomic expression profiling to simultaneously assess biomarkers of radiation exposure. We describe here the technical advantages of the Luminex(TM) 100 system relative to traditional methods and its potential as a tool to simultaneously profile multiple proteins induced by ionizing radiation. The development of such a bioassay would provide more relevant post-translational dynamics of stress response and will impart important implications in the advancement of space and other radiation contact monitoring. c2004 COSPAR. Published by Elsevier Ltd. All rights reserved.

A new cooperative MIMO scheme based on SM for energy-efficiency improvement in wireless sensor network.

PubMed

Peng, Yuyang; Choi, Jaeho

2014-01-01

Improving the energy efficiency in wireless sensor networks (WSN) has attracted considerable attention nowadays. The multiple-input multiple-output (MIMO) technique has been proved as a good candidate for improving the energy efficiency, but it may not be feasible in WSN which is due to the size limitation of the sensor node. As a solution, the cooperative multiple-input multiple-output (CMIMO) technique overcomes this constraint and shows a dramatically good performance. In this paper, a new CMIMO scheme based on the spatial modulation (SM) technique named CMIMO-SM is proposed for energy-efficiency improvement. We first establish the system model of CMIMO-SM. Based on this model, the transmission approach is introduced graphically. In order to evaluate the performance of the proposed scheme, a detailed analysis in terms of energy consumption per bit of the proposed scheme compared with the conventional CMIMO is presented. Later, under the guide of this new scheme we extend our proposed CMIMO-SM to a multihop clustered WSN for further achieving energy efficiency by finding an optimal hop-length. Equidistant hop as the traditional scheme will be compared in this paper. Results from the simulations and numerical experiments indicate that by the use of the proposed scheme, significant savings in terms of total energy consumption can be achieved. Combining the proposed scheme with monitoring sensor node will provide a good performance in arbitrary deployed WSN such as forest fire detection system.

Element-specific spectral imaging of multiple contrast agents: a phantom study

NASA Astrophysics Data System (ADS)

Panta, R. K.; Bell, S. T.; Healy, J. L.; Aamir, R.; Bateman, C. J.; Moghiseh, M.; Butler, A. P. H.; Anderson, N. G.

2018-02-01

This work demonstrates the feasibility of simultaneous discrimination of multiple contrast agents based on their element-specific and energy-dependent X-ray attenuation properties using a pre-clinical photon-counting spectral CT. We used a photon-counting based pre-clinical spectral CT scanner with four energy thresholds to measure the X-ray attenuation properties of various concentrations of iodine (9, 18 and 36 mg/ml), gadolinium (2, 4 and 8 mg/ml) and gold (2, 4 and 8 mg/ml) based contrast agents, calcium chloride (140 and 280 mg/ml) and water. We evaluated the spectral imaging performances of different energy threshold schemes between 25 to 82 keV at 118 kVp, based on K-factor and signal-to-noise ratio and ranked them. K-factor was defined as the X-ray attenuation in the K-edge containing energy range divided by the X-ray attenuation in the preceding energy range, expressed as a percentage. We evaluated the effectiveness of the optimised energy selection to discriminate all three contrast agents in a phantom of 33 mm diameter. A photon-counting spectral CT using four energy thresholds of 27, 33, 49 and 81 keV at 118 kVp simultaneously discriminated three contrast agents based on iodine, gadolinium and gold at various concentrations using their K-edge and energy-dependent X-ray attenuation features in a single scan. A ranking method to evaluate spectral imaging performance enabled energy thresholds to be optimised to discriminate iodine, gadolinium and gold contrast agents in a single spectral CT scan. Simultaneous discrimination of multiple contrast agents in a single scan is likely to open up new possibilities of improving the accuracy of disease diagnosis by simultaneously imaging multiple bio-markers each labelled with a nano-contrast agent.

Three-dimensional piezoelectric vibration energy harvester using spiral-shaped beam with triple operating frequencies

NASA Astrophysics Data System (ADS)

Zhao, Nian; Yang, Jin; Yu, Qiangmo; Zhao, Jiangxin; Liu, Jun; Wen, Yumei; Li, Ping

2016-01-01

This work has demonstrated a novel piezoelectric energy harvester without a complex structure and appended component that is capable of scavenging vibration energy from arbitrary directions with multiple resonant frequencies. In this harvester, a spiral-shaped elastic thin beam instead of a traditional thin cantilever beam was adopted to absorb external vibration with arbitrary direction in three-dimensional (3D) spaces owing to its ability to bend flexibly and stretch along arbitrary direction. Furthermore, multiple modes in the elastic thin beam contribute to a possibility to widen the working bandwidth with multiple resonant frequencies. The experimental results show that the harvester was capable of scavenging the vibration energy in 3D arbitrary directions; they also exhibited triple power peaks at about 16 Hz, 21 Hz, and 28 Hz with the powers of 330 μW, 313 μW, and 6 μW, respectively. In addition, human walking and water wave energies were successfully converted into electricity, proving that our harvester was practical to scavenge the time-variant or multi-directional vibration energies in our daily life.

Beyond Group: Multiple Person Tracking via Minimal Topology-Energy-Variation.

PubMed

Gao, Shan; Ye, Qixiang; Xing, Junliang; Kuijper, Arjan; Han, Zhenjun; Jiao, Jianbin; Ji, Xiangyang

2017-12-01

Tracking multiple persons is a challenging task when persons move in groups and occlude each other. Existing group-based methods have extensively investigated how to make group division more accurately in a tracking-by-detection framework; however, few of them quantify the group dynamics from the perspective of targets' spatial topology or consider the group in a dynamic view. Inspired by the sociological properties of pedestrians, we propose a novel socio-topology model with a topology-energy function to factor the group dynamics of moving persons and groups. In this model, minimizing the topology-energy-variance in a two-level energy form is expected to produce smooth topology transitions, stable group tracking, and accurate target association. To search for the strong minimum in energy variation, we design the discrete group-tracklet jump moves embedded in the gradient descent method, which ensures that the moves reduce the energy variation of group and trajectory alternately in the varying topology dimension. Experimental results on both RGB and RGB-D data sets show the superiority of our proposed model for multiple person tracking in crowd scenes.